#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3a22 n THR 48 N 0.00 3.95 -1.95 4.28 -1.04 -1.26 -4.96 114.28 113.30 3a22 n THR 48 Ca 0.00 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 61.13 3a22 n THR 48 Cb 0.00 -1.54 0.02 0.00 -1.82 0.00 0.00 70.33 66.99 3a22 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3a22 s ARG 49 N -2.91 3.35 -0.04 -2.82 1.70 -1.26 -4.81 118.95 112.16 3a22 s ARG 49 Ca 0.74 2.08 -0.20 0.00 -0.47 0.00 0.00 55.73 57.87 3a22 s ARG 49 Cb -0.42 -2.31 -0.05 0.00 -0.57 0.00 0.00 34.95 31.61 3a22 s ARG 49 CO 0.48 -0.97 0.58 -0.65 -1.08 0.00 0.00 175.30 173.66 3a22 s GLN 50 N -2.84 4.33 -0.14 3.89 -0.21 -1.26 -1.43 119.66 122.01 3a22 s GLN 50 Ca 0.69 0.68 -0.21 0.00 0.02 0.00 0.00 55.36 56.54 3a22 s GLN 50 Cb -0.36 -3.38 -0.03 0.00 1.00 0.00 0.00 33.01 30.24 3a22 s GLN 50 CO 0.43 0.28 0.61 0.42 -2.12 0.00 0.00 175.29 174.91 3a22 s ILE 51 N 0.14 5.07 0.28 1.08 -1.09 0.85 -4.84 121.20 122.68 3a22 s ILE 51 Ca 0.31 1.21 -0.29 0.00 -2.23 0.00 0.00 60.65 59.64 3a22 s ILE 51 Cb -0.17 -3.94 -0.10 0.00 -1.58 0.00 0.00 42.46 36.66 3a22 s ILE 51 CO 0.16 0.20 1.37 -0.89 -1.23 0.00 0.00 174.94 174.55 3a22 s THR 52 N 1.27 2.75 0.22 2.92 2.01 -1.26 -4.75 115.64 118.79 3a22 s THR 52 Ca 0.31 0.68 0.10 0.00 0.31 0.00 0.00 61.69 63.08 3a22 s THR 52 Cb -0.16 -3.43 -0.04 0.00 0.01 0.00 0.00 72.50 68.87 3a22 s THR 52 CO 0.13 0.13 -0.10 0.68 -0.69 0.00 0.00 174.62 174.77 3a22 s VAL 53 N -0.48 3.10 0.43 3.82 -7.23 -0.70 -4.88 120.40 114.45 3a22 s VAL 53 Ca 0.54 -1.87 -0.26 0.00 -1.81 0.00 0.00 61.98 58.59 3a22 s VAL 53 Cb -0.40 -2.58 -0.09 0.00 0.56 0.00 0.00 36.38 33.86 3a22 s VAL 53 CO 0.47 -0.23 1.34 -2.65 -0.31 0.00 0.00 175.10 173.72 3a22 n PRO 54 N -0.31 2.08 -2.27 4.82 -0.02 -1.26 -4.82 135.00 133.22 3a22 n PRO 54 Ca -0.09 0.74 -0.27 0.00 -2.02 0.00 0.00 63.50 61.86 3a22 n PRO 54 Cb 0.57 -2.48 0.04 0.00 -0.02 0.00 0.00 33.50 31.61 3a22 n PRO 54 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3a22 s SER 55 N -0.49 5.35 0.54 2.55 0.01 -1.26 -3.75 113.70 116.65 3a22 s SER 55 Ca 0.61 0.69 -0.19 0.00 1.31 0.00 0.00 55.95 58.37 3a22 s SER 55 Cb -0.49 -1.56 -0.06 0.00 0.21 0.00 0.00 66.02 64.12 3a22 s SER 55 CO 0.58 -1.26 1.08 0.00 0.41 0.00 0.00 173.24 174.06 3a22 s ALA 56 N -3.11 2.74 0.52 1.44 0.00 -1.26 -4.98 121.76 117.11 3a22 s ALA 56 Ca 0.56 0.65 -0.23 0.00 0.00 0.00 0.00 51.96 52.95 3a22 s ALA 56 Cb -0.11 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.66 3a22 s ALA 56 CO 0.46 -0.66 1.40 -2.14 0.00 0.00 0.00 175.76 174.82 3a22 s PRO 57 N -3.46 3.28 -0.01 0.00 0.02 -1.26 -4.76 135.00 128.80 3a22 s PRO 57 Ca 0.69 2.33 0.07 0.00 0.02 0.00 0.00 61.00 64.11 3a22 s PRO 57 Cb -0.20 -2.38 -0.02 0.00 0.02 0.00 0.00 34.50 31.93 3a22 s PRO 57 CO 0.27 -1.11 -0.23 -1.64 -0.33 0.00 0.00 177.00 173.96 3a22 s MET 58 N -2.77 1.82 0.00 5.54 -1.94 -1.26 -1.70 119.30 118.99 3a22 s MET 58 Ca 0.69 -0.83 0.00 0.00 -1.71 0.00 0.00 55.69 53.83 3a22 s MET 58 Cb -0.42 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 34.64 3a22 s MET 58 CO 0.51 0.49 0.00 0.41 -0.01 0.00 0.00 175.02 176.42 3a22 n GLY 59 N 2.45 -0.77 3.06 -0.03 0.00 -0.33 -0.71 105.19 108.86 3a22 n GLY 59 Ca -0.16 -0.28 -0.12 0.00 0.00 0.00 0.00 46.02 45.47 3a22 n GLY 59 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 3a22 s TRP 60 N -4.00 -0.04 0.08 1.61 -0.00 0.31 -0.51 118.94 116.38 3a22 s TRP 60 Ca 0.00 0.08 0.04 0.00 -0.00 0.00 0.00 56.10 56.22 3a22 s TRP 60 Cb 0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 33.47 33.43 3a22 s TRP 60 CO 0.00 -0.18 -0.11 0.00 -0.00 0.00 0.00 176.95 176.66 3a22 s ALA 61 N -0.71 1.02 -0.82 5.86 0.00 0.28 -0.74 121.76 126.64 3a22 s ALA 61 Ca -0.08 -1.05 0.27 0.00 0.00 0.00 0.00 51.96 51.10 3a22 s ALA 61 Cb -0.05 -0.01 0.85 0.00 0.00 0.00 0.00 23.12 23.92 3a22 s ALA 61 CO 0.01 0.03 1.73 -1.13 0.00 0.00 0.00 175.76 176.40 3a22 n SER 62 N 0.96 0.52 0.13 0.00 3.41 -0.89 -4.39 113.62 113.37 3a22 n SER 62 Ca -0.19 0.42 -0.13 0.00 -0.26 0.00 0.00 58.87 58.71 3a22 n SER 62 Cb 0.56 -0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 63.94 3a22 n SER 62 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 175.04 174.63 3a22 h TRP 63 N 0.00 -0.32 -0.61 7.33 2.91 -1.87 -2.59 115.95 120.80 3a22 h TRP 63 Ca 0.00 -0.01 0.02 0.00 1.13 0.00 0.00 58.89 60.03 3a22 h TRP 63 Cb 0.65 0.11 -0.03 0.00 -0.51 0.00 0.00 29.16 29.37 3a22 h TRP 63 CO 0.00 -0.00 0.41 -0.91 -1.03 0.00 0.00 178.44 176.90 3a22 h ASN 64 N -0.65 0.65 0.08 2.65 2.35 -1.77 -0.58 115.58 118.32 3a22 h ASN 64 Ca -0.04 -0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3a22 h ASN 64 Cb 0.46 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3a22 h ASN 64 CO 0.06 0.46 -1.89 -1.20 -1.65 0.00 0.00 177.43 173.20 3a22 n SER 65 N -4.46 0.09 0.00 5.81 7.64 -1.07 -4.67 113.62 116.97 3a22 n SER 65 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.95 3a22 n SER 65 Cb 0.10 1.85 0.00 0.00 -1.01 0.00 0.00 64.21 65.15 3a22 n SER 65 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 3a22 n PHE 66 N -2.27 0.00 -1.12 1.43 3.72 -0.97 -4.98 117.46 113.27 3a22 n PHE 66 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3a22 n PHE 66 Cb 0.56 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.10 3a22 n PHE 66 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3a22 n ALA 67 N -1.04 0.00 1.85 4.37 0.00 -0.24 -1.39 120.51 124.07 3a22 n ALA 67 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3a22 n ALA 67 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 3a22 n ALA 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 n ALA 68 N 6.43 2.59 -1.43 0.00 0.00 -0.99 -4.49 120.51 122.62 3a22 n ALA 68 Ca 0.00 -0.18 -0.40 0.00 0.00 0.00 0.00 53.44 52.86 3a22 n ALA 68 Cb 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 19.45 18.18 3a22 n ALA 68 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3a22 n LYS 69 N -0.57 3.65 -4.31 0.00 5.02 -0.49 -4.56 118.16 116.91 3a22 n LYS 69 Ca 0.13 -2.37 -0.25 0.00 -2.02 0.00 0.00 58.31 53.81 3a22 n LYS 69 Cb 0.11 -2.86 -0.12 0.00 -0.02 0.00 0.00 35.03 32.14 3a22 n LYS 69 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 3a22 s ILE 70 N 2.05 1.84 0.18 -0.18 -4.36 -1.26 -4.93 121.20 114.53 3a22 s ILE 70 Ca 0.65 -1.64 -0.05 0.00 -0.26 0.00 0.00 60.65 59.36 3a22 s ILE 70 Cb 0.17 -1.68 0.02 0.00 1.25 0.00 0.00 42.46 42.22 3a22 s ILE 70 CO -0.07 -0.06 0.32 -0.90 0.24 0.00 0.00 174.94 174.47 3a22 n ASP 71 N 0.94 -0.92 -0.18 4.36 5.68 -1.26 -4.74 116.55 120.43 3a22 n ASP 71 Ca -0.18 -1.80 -0.03 0.00 -0.50 0.00 0.00 54.79 52.27 3a22 n ASP 71 Cb 0.54 1.57 0.07 0.00 -1.14 0.00 0.00 41.12 42.16 3a22 n ASP 71 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 3a22 h TYR 72 N 1.47 0.49 -0.84 2.11 5.03 -1.44 -2.63 116.97 121.16 3a22 h TYR 72 Ca -0.15 0.02 -0.03 0.00 2.58 0.00 0.00 58.73 61.15 3a22 h TYR 72 Cb 0.57 -0.14 -0.04 0.00 1.55 0.00 0.00 36.73 38.68 3a22 h TYR 72 CO 0.00 0.22 0.39 0.66 -1.32 0.00 0.00 178.16 178.11 3a22 h SER 73 N 0.51 1.11 -0.08 -2.11 4.64 -1.97 -0.69 113.55 114.96 3a22 h SER 73 Ca 0.25 -0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3a22 h SER 73 Cb 0.18 -0.29 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 3a22 h SER 73 CO -0.19 0.94 0.04 0.58 -0.87 0.00 0.00 176.83 177.34 3a22 h VAL 74 N 1.20 1.08 -0.49 0.95 2.07 -1.89 -2.11 116.25 117.07 3a22 h VAL 74 Ca 0.29 -0.23 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3a22 h VAL 74 Cb 0.14 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 30.99 3a22 h VAL 74 CO -0.03 0.07 0.12 0.40 0.02 0.00 0.00 177.57 178.15 3a22 h ILE 75 N 0.03 1.24 -0.57 4.57 1.08 -1.28 -2.46 117.51 120.13 3a22 h ILE 75 Ca 0.03 -0.83 0.06 0.00 -0.39 0.00 0.00 64.86 63.72 3a22 h ILE 75 Cb 0.08 0.85 -0.05 0.00 -3.07 0.00 0.00 36.82 34.63 3a22 h ILE 75 CO -0.00 0.30 0.27 0.50 -0.69 0.00 0.00 178.15 178.53 3a22 h LYS 76 N 0.66 0.49 -0.66 2.37 3.64 -1.03 -0.03 116.57 122.01 3a22 h LYS 76 Ca 0.15 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 3a22 h LYS 76 Cb 0.33 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3a22 h LYS 76 CO 0.00 0.33 0.14 0.87 -2.27 0.00 0.00 179.45 178.51 3a22 h LYS 77 N 0.51 1.07 -0.51 1.90 1.57 -1.18 -0.86 116.57 119.07 3a22 h LYS 77 Ca 0.26 -0.26 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3a22 h LYS 77 Cb 0.21 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3a22 h LYS 77 CO -0.20 0.96 0.06 1.96 -0.57 0.00 0.00 179.45 181.66 3a22 h GLN 78 N 1.01 0.87 -0.33 3.15 1.08 -0.96 -1.46 115.11 118.46 3a22 h GLN 78 Ca 0.21 -0.24 0.02 0.00 -1.45 0.00 0.00 58.65 57.19 3a22 h GLN 78 Cb 0.39 -0.09 -0.03 0.00 -0.05 0.00 0.00 27.48 27.70 3a22 h GLN 78 CO 0.01 0.87 0.17 0.28 -0.95 0.00 0.00 178.83 179.20 3a22 h VAL 79 N 0.74 0.99 -0.65 -0.54 2.07 -0.68 0.76 116.25 118.94 3a22 h VAL 79 Ca 0.15 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3a22 h VAL 79 Cb 0.43 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.78 3a22 h VAL 79 CO 0.01 0.06 0.43 0.44 0.02 0.00 0.00 177.57 178.54 3a22 h ASP 80 N 0.34 0.75 -0.50 0.57 3.32 -0.99 -1.53 116.42 118.39 3a22 h ASP 80 Ca 0.14 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 3a22 h ASP 80 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3a22 h ASP 80 CO -0.10 0.55 -0.07 0.00 -1.72 0.00 0.00 179.24 177.90 3a22 h ALA 81 N 1.24 0.87 -0.16 3.45 0.00 -1.01 0.10 119.26 123.75 3a22 h ALA 81 Ca 0.24 -0.33 0.04 0.00 0.00 0.00 0.00 54.91 54.87 3a22 h ALA 81 Cb -0.10 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.45 3a22 h ALA 81 CO -0.05 0.65 -0.11 0.35 0.00 0.00 0.00 179.25 180.08 3a22 h PHE 82 N 0.87 -0.28 -0.08 0.00 3.04 -0.58 0.13 116.94 120.03 3a22 h PHE 82 Ca 0.15 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.10 3a22 h PHE 82 Cb 0.61 0.15 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 3a22 h PHE 82 CO 0.04 -0.17 -0.00 0.28 -2.02 0.00 0.00 178.31 176.43 3a22 h VAL 83 N -0.12 1.26 -0.20 1.41 2.07 -1.14 -2.86 116.25 116.67 3a22 h VAL 83 Ca 0.10 -0.81 0.01 0.00 0.82 0.00 0.00 66.70 66.83 3a22 h VAL 83 Cb 0.26 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 3a22 h VAL 83 CO -0.24 0.23 0.13 0.00 0.02 0.00 0.00 177.57 177.71 3a22 h ALA 84 N 0.72 1.93 0.00 1.67 0.00 -0.81 -1.94 119.26 120.83 3a22 h ALA 84 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 3a22 h ALA 84 Cb 0.36 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3a22 h ALA 84 CO 0.00 0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.31 3a22 n ALA 85 N -2.52 2.06 -1.03 0.00 0.00 0.43 -4.89 120.51 114.55 3a22 n ALA 85 Ca 0.00 -0.08 -0.01 0.00 0.00 0.00 0.00 53.44 53.35 3a22 n ALA 85 Cb 0.12 -1.37 -0.00 0.00 0.00 0.00 0.00 19.45 18.20 3a22 n ALA 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 86 N 0.80 0.49 0.35 0.00 0.00 -0.73 -4.94 105.19 101.16 3a22 n GLY 86 Ca 0.06 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.86 3a22 n GLY 86 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3a22 h LEU 87 N 0.00 0.79 -0.89 0.99 3.38 -1.73 -2.87 115.31 114.99 3a22 h LEU 87 Ca -0.02 0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.12 3a22 h LEU 87 Cb 0.18 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 3a22 h LEU 87 CO 0.03 0.36 0.53 -0.65 0.09 0.00 0.00 178.44 178.80 3a22 h PRO 88 N 0.84 0.84 0.00 1.13 0.11 -1.77 -1.31 132.00 131.84 3a22 h PRO 88 Ca 0.51 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 66.53 3a22 h PRO 88 Cb 0.64 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 3a22 h PRO 88 CO -0.32 0.56 -0.20 0.00 -0.21 0.00 0.00 178.00 177.83 3a22 h ALA 89 N 1.48 1.19 0.00 -0.75 0.00 -1.82 -1.22 119.26 118.14 3a22 h ALA 89 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.16 3a22 h ALA 89 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a22 h ALA 89 CO -0.25 0.24 0.00 0.00 0.00 0.00 0.00 179.25 179.24 3a22 n ALA 90 N -2.28 2.24 0.00 0.00 0.00 -0.52 -4.93 120.51 115.02 3a22 n ALA 90 Ca -0.01 -0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.39 3a22 n ALA 90 Cb 0.33 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.32 3a22 n ALA 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 91 N 1.24 1.05 3.67 0.00 0.00 -0.46 -5.01 105.19 105.68 3a22 n GLY 91 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 3a22 n GLY 91 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a22 s TYR 92 N -2.00 2.31 0.00 1.61 2.02 -1.08 -4.70 117.35 115.51 3a22 s TYR 92 Ca 0.00 0.40 0.00 0.00 -0.37 0.00 0.00 57.07 57.10 3a22 s TYR 92 Cb 0.00 -3.85 0.00 0.00 -0.40 0.00 0.00 41.96 37.71 3a22 s TYR 92 CO 0.00 -3.43 0.00 2.41 -1.57 0.00 0.00 175.55 172.96 3a22 n THR 93 N 5.13 0.00 -3.45 -0.71 -1.04 0.11 -4.01 114.28 110.31 3a22 n THR 93 Ca 0.16 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.79 3a22 n THR 93 Cb 0.43 -0.42 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 3a22 n THR 93 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 3a22 s TYR 94 N -1.77 3.63 -0.37 -1.42 2.02 -0.36 -0.96 117.35 118.12 3a22 s TYR 94 Ca 0.00 0.91 -0.06 0.00 -0.37 0.00 0.00 57.07 57.55 3a22 s TYR 94 Cb 0.00 -2.37 0.07 0.00 -0.40 0.00 0.00 41.96 39.26 3a22 s TYR 94 CO 0.00 0.45 0.15 0.42 -1.57 0.00 0.00 175.55 175.00 3a22 s ILE 95 N -0.38 3.65 -0.30 2.71 -1.09 0.79 -0.53 121.20 126.05 3a22 s ILE 95 Ca 0.23 -1.46 -0.08 0.00 -2.23 0.00 0.00 60.65 57.11 3a22 s ILE 95 Cb -0.16 -3.22 -0.00 0.00 -1.58 0.00 0.00 42.46 37.50 3a22 s ILE 95 CO 0.11 -0.37 0.12 0.20 -1.23 0.00 0.00 174.94 173.76 3a22 s ASN 96 N 1.68 5.34 -0.36 3.58 0.01 0.08 -0.31 114.94 124.96 3a22 s ASN 96 Ca 0.01 -0.54 -0.26 0.00 -0.71 0.00 0.00 52.86 51.36 3a22 s ASN 96 Cb -0.21 -1.95 0.01 0.00 0.41 0.00 0.00 41.25 39.51 3a22 s ASN 96 CO 0.00 -0.17 0.92 -0.63 -1.51 0.00 0.00 177.10 175.71 3a22 s ILE 97 N 1.57 4.60 0.00 0.60 1.01 0.33 -2.09 121.20 127.23 3a22 s ILE 97 Ca 0.04 1.19 0.00 0.00 0.00 0.00 0.00 60.65 61.88 3a22 s ILE 97 Cb -0.17 -4.32 0.00 0.00 0.01 0.00 0.00 42.46 37.98 3a22 s ILE 97 CO 0.05 -0.52 0.00 -0.67 0.00 0.00 0.00 174.94 173.80 3a22 n ASP 98 N 6.73 0.00 -4.68 3.58 -0.08 -1.26 -3.29 116.55 117.55 3a22 n ASP 98 Ca 0.07 0.00 -0.41 0.00 -1.51 0.00 0.00 54.79 52.94 3a22 n ASP 98 Cb 0.48 0.00 0.01 0.00 2.34 0.00 0.00 41.12 43.95 3a22 n ASP 98 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 3a22 n GLU 99 N 0.00 1.80 0.00 -0.67 2.13 -1.26 -4.02 120.64 118.61 3a22 n GLU 99 Ca 0.00 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.46 3a22 n GLU 99 Cb 0.00 -2.30 0.00 0.00 0.27 0.00 0.00 31.44 29.41 3a22 n GLU 99 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a22 n GLY 100 N 0.89 2.08 0.20 8.31 0.00 -1.26 -4.15 105.19 111.26 3a22 n GLY 100 Ca 0.07 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.18 3a22 n GLY 100 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 173.32 173.43 3a22 h TRP 101 N 0.00 0.00 -3.31 1.61 5.08 -1.86 -3.45 115.95 114.03 3a22 h TRP 101 Ca 0.00 0.00 -0.51 0.00 1.08 0.00 0.00 58.89 59.46 3a22 h TRP 101 Cb 0.00 0.00 -0.35 0.00 -3.00 0.00 0.00 29.16 25.81 3a22 h TRP 101 CO 0.00 0.20 -0.80 -0.46 -1.28 0.00 0.00 178.44 176.09 3a22 s TRP 102 N -3.23 1.37 -1.00 0.12 -0.00 -1.26 -4.73 118.94 110.22 3a22 s TRP 102 Ca 0.05 -0.58 0.15 0.00 -0.00 0.00 0.00 56.10 55.71 3a22 s TRP 102 Cb 0.07 -1.09 0.64 0.00 -0.00 0.00 0.00 33.47 33.08 3a22 s TRP 102 CO 0.68 -0.38 1.52 1.04 -0.00 0.00 0.00 176.95 179.81 3a22 n GLN 103 N 4.39 3.58 -0.16 5.86 1.13 -1.26 -4.90 117.38 126.03 3a22 n GLN 103 Ca -0.18 -2.50 0.00 0.00 -1.94 0.00 0.00 57.00 52.38 3a22 n GLN 103 Cb 0.51 -1.89 0.00 0.00 0.11 0.00 0.00 30.24 28.96 3a22 n GLN 103 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3a22 n GLY 104 N 0.90 0.58 3.78 1.08 0.00 -1.26 -4.23 105.19 106.04 3a22 n GLY 104 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.88 3a22 n GLY 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 105 N -2.32 4.15 0.06 2.61 -4.23 -1.26 -4.43 115.64 110.22 3a22 s THR 105 Ca 0.00 1.76 0.01 0.00 -1.18 0.00 0.00 61.69 62.27 3a22 s THR 105 Cb 0.00 -3.96 -0.03 0.00 1.34 0.00 0.00 72.50 69.85 3a22 s THR 105 CO 0.00 0.11 -0.05 -0.13 -0.54 0.00 0.00 174.62 174.01 3a22 s ARG 106 N -2.13 0.63 0.90 3.99 0.52 -1.26 -1.96 118.95 119.64 3a22 s ARG 106 Ca 0.51 -1.08 -0.12 0.00 -0.52 0.00 0.00 55.73 54.53 3a22 s ARG 106 Cb -0.19 -0.07 0.18 0.00 0.52 0.00 0.00 34.95 35.40 3a22 s ARG 106 CO 0.24 -0.03 1.23 0.16 0.02 0.00 0.00 175.30 176.92 3a22 s ASP 107 N -2.47 3.42 0.55 0.23 1.47 -0.33 -4.86 116.67 114.68 3a22 s ASP 107 Ca 0.02 0.05 0.28 0.00 1.18 0.00 0.00 52.55 54.08 3a22 s ASP 107 Cb 0.01 -0.17 1.61 0.00 -0.34 0.00 0.00 42.92 44.03 3a22 s ASP 107 CO -0.05 -2.51 2.15 0.77 0.68 0.00 0.00 175.17 176.22 3a22 h SER 108 N -1.34 0.00 -0.03 2.11 4.64 -2.02 0.93 113.55 117.83 3a22 h SER 108 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 3a22 h SER 108 Cb 1.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3a22 h SER 108 CO 0.37 0.07 0.00 0.00 -0.87 0.00 0.00 176.83 176.40 3a22 n ALA 109 N -2.31 2.61 -0.68 5.18 0.00 -1.26 -4.92 120.51 119.13 3a22 n ALA 109 Ca -0.02 -0.30 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3a22 n ALA 109 Cb 0.17 -1.31 0.00 0.00 0.00 0.00 0.00 19.45 18.31 3a22 n ALA 109 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 110 N 1.02 0.79 3.73 0.00 0.00 0.32 -5.04 105.19 106.01 3a22 n GLY 110 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.80 3a22 n GLY 110 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a22 s ASN 111 N -2.71 7.01 0.19 1.61 0.01 -1.26 -4.74 114.94 115.05 3a22 s ASN 111 Ca 0.00 2.28 -0.33 0.00 -0.71 0.00 0.00 52.86 54.10 3a22 s ASN 111 Cb 0.00 -2.60 -0.13 0.00 0.41 0.00 0.00 41.25 38.92 3a22 s ASN 111 CO 0.00 -0.45 1.55 -0.38 -1.51 0.00 0.00 177.10 176.31 3a22 n ILE 112 N 2.74 0.29 -5.01 0.60 5.41 -1.26 -1.19 119.36 120.94 3a22 n ILE 112 Ca 0.06 -0.07 -0.32 0.00 1.00 0.00 0.00 62.75 63.41 3a22 n ILE 112 Cb 0.44 -1.59 -0.14 0.00 -0.71 0.00 0.00 39.64 37.64 3a22 n ILE 112 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3a22 s THR 113 N 0.64 2.72 0.35 1.39 -4.23 -0.83 -4.84 115.64 110.86 3a22 s THR 113 Ca 0.75 -0.84 0.08 0.00 -1.18 0.00 0.00 61.69 60.50 3a22 s THR 113 Cb -0.65 -2.05 -0.04 0.00 1.34 0.00 0.00 72.50 71.10 3a22 s THR 113 CO 0.41 0.58 0.14 0.68 -0.54 0.00 0.00 174.62 175.89 3a22 s VAL 114 N -0.47 2.85 -0.54 2.29 -7.23 -1.26 -4.48 120.40 111.55 3a22 s VAL 114 Ca 0.06 -1.71 -0.24 0.00 -1.81 0.00 0.00 61.98 58.28 3a22 s VAL 114 Cb -0.12 -2.96 0.04 0.00 0.56 0.00 0.00 36.38 33.90 3a22 s VAL 114 CO 0.01 -0.15 0.91 -0.62 -0.31 0.00 0.00 175.10 174.95 3a22 s ASP 115 N -3.85 6.33 0.00 4.85 -1.08 -1.26 -4.91 116.67 116.75 3a22 s ASP 115 Ca 0.38 -0.38 0.15 0.00 -0.52 0.00 0.00 52.55 52.18 3a22 s ASP 115 Cb -0.01 -2.42 0.65 0.00 -1.46 0.00 0.00 42.92 39.67 3a22 s ASP 115 CO 0.22 -1.19 1.46 0.35 0.52 0.00 0.00 175.17 176.53 3a22 n THR 116 N 6.15 0.92 -0.26 1.71 -2.24 -1.26 -1.05 114.28 118.25 3a22 n THR 116 Ca 0.01 0.23 -0.07 0.00 -2.27 0.00 0.00 64.05 61.95 3a22 n THR 116 Cb 0.47 -0.98 0.05 0.00 -2.10 0.00 0.00 70.33 67.77 3a22 n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a22 h ALA 117 N 2.54 0.94 0.00 6.98 0.00 -1.99 -1.89 119.26 125.84 3a22 h ALA 117 Ca 0.00 -0.23 -0.22 0.00 0.00 0.00 0.00 54.91 54.46 3a22 h ALA 117 Cb 0.23 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.71 3a22 h ALA 117 CO 0.00 0.63 -1.37 0.93 0.00 0.00 0.00 179.25 179.44 3a22 h GLU 118 N 1.07 0.00 -2.26 0.00 5.08 -1.69 -3.41 114.58 113.36 3a22 h GLU 118 Ca 0.23 0.00 -0.59 0.00 -1.00 0.00 0.00 59.36 58.00 3a22 h GLU 118 Cb 0.32 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.16 3a22 h GLU 118 CO -0.01 0.52 -0.72 0.91 -1.00 0.00 0.00 179.01 178.72 3a22 n TRP 119 N -3.07 2.56 -1.89 4.33 7.02 -0.22 -0.97 117.44 125.20 3a22 n TRP 119 Ca -0.10 -4.01 -0.42 0.00 -1.02 0.00 0.00 57.50 51.95 3a22 n TRP 119 Cb 0.94 -0.49 -0.03 0.00 -2.42 0.00 0.00 31.31 29.31 3a22 n TRP 119 CO 0.00 0.00 0.00 -1.25 -2.02 0.00 0.00 177.69 174.42 3a22 s PRO 120 N -1.98 4.19 0.00 -0.99 0.04 -0.72 -1.09 135.00 134.46 3a22 s PRO 120 Ca 0.37 2.43 0.00 0.00 0.04 0.00 0.00 61.00 63.83 3a22 s PRO 120 Cb 0.13 -3.11 0.00 0.00 0.04 0.00 0.00 34.50 31.55 3a22 s PRO 120 CO -0.06 -0.60 0.00 0.41 0.04 0.00 0.00 177.00 176.79 3a22 n GLY 121 N 3.26 0.70 3.23 0.56 0.00 -1.26 -4.72 105.19 106.97 3a22 n GLY 121 Ca 0.12 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.19 3a22 n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 122 N -2.53 -1.92 0.23 -0.02 0.00 -0.25 -3.73 105.19 96.96 3a22 n GLY 122 Ca 0.00 -1.33 0.08 0.00 0.00 0.00 0.00 46.02 44.77 3a22 n GLY 122 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3a22 h MET 123 N 0.00 0.00 0.00 1.61 0.00 -1.90 -2.30 114.93 112.34 3a22 h MET 123 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 59.70 59.71 3a22 h MET 123 Cb 0.31 0.00 0.00 0.00 0.00 0.00 0.00 31.60 31.91 3a22 h MET 123 CO 0.00 0.23 0.00 0.66 0.00 0.00 0.00 176.91 177.80 3a22 h SER 124 N 0.00 0.00 0.09 1.22 4.64 -1.75 -2.58 113.55 115.17 3a22 h SER 124 Ca -0.00 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.10 3a22 h SER 124 Cb 0.52 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.62 3a22 h SER 124 CO 0.03 0.00 -0.83 0.00 -0.87 0.00 0.00 176.83 175.16 3a22 h ALA 125 N 2.11 0.38 -0.05 5.18 0.00 -1.49 -1.70 119.26 123.68 3a22 h ALA 125 Ca 0.00 -0.64 -0.21 0.00 0.00 0.00 0.00 54.91 54.07 3a22 h ALA 125 Cb 0.37 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3a22 h ALA 125 CO 0.00 0.73 -0.83 0.97 0.00 0.00 0.00 179.25 180.12 3a22 h ILE 126 N 0.38 1.37 -0.62 0.00 6.09 -1.59 -2.12 117.51 121.03 3a22 h ILE 126 Ca -0.06 -2.24 -0.08 0.00 -1.37 0.00 0.00 64.86 61.10 3a22 h ILE 126 Cb 1.45 2.22 -0.02 0.00 0.47 0.00 0.00 36.82 40.94 3a22 h ILE 126 CO 0.16 0.68 0.06 0.71 -3.07 0.00 0.00 178.15 176.69 3a22 h THR 127 N 0.30 1.26 -0.39 2.19 1.35 -1.53 -1.15 112.91 114.93 3a22 h THR 127 Ca -0.06 -1.06 0.05 0.00 -0.55 0.00 0.00 66.41 64.79 3a22 h THR 127 Cb 1.44 0.71 -0.04 0.00 -1.73 0.00 0.00 68.15 68.53 3a22 h THR 127 CO 0.15 0.39 0.14 0.00 -0.25 0.00 0.00 175.52 175.95 3a22 h ALA 128 N 1.09 0.46 -0.03 6.62 0.00 -1.23 -0.17 119.26 126.01 3a22 h ALA 128 Ca 0.19 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 3a22 h ALA 128 Cb 0.47 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3a22 h ALA 128 CO 0.02 -0.25 0.01 -0.92 0.00 0.00 0.00 179.25 178.12 3a22 h TYR 129 N 0.30 0.03 0.00 0.00 3.20 -1.07 0.64 116.97 120.08 3a22 h TYR 129 Ca 0.18 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.07 3a22 h TYR 129 Cb 0.15 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 3a22 h TYR 129 CO -0.14 0.10 -0.19 0.82 -1.64 0.00 0.00 178.16 177.11 3a22 h ILE 130 N -0.04 0.55 -0.86 1.81 2.04 -1.04 -2.07 117.51 117.90 3a22 h ILE 130 Ca 0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3a22 h ILE 130 Cb 0.08 0.55 -0.05 0.00 -0.74 0.00 0.00 36.82 36.66 3a22 h ILE 130 CO -0.00 0.00 0.56 0.45 0.00 0.00 0.00 178.15 179.16 3a22 h HIS 131 N -0.31 1.05 0.00 1.37 3.86 -0.92 -1.83 115.15 118.37 3a22 h HIS 131 Ca 0.06 0.03 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 3a22 h HIS 131 Cb 0.38 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.50 3a22 h HIS 131 CO -0.24 0.63 -0.06 0.66 0.86 0.00 0.00 177.93 179.78 3a22 h SER 132 N 1.10 0.00 -0.47 2.45 4.64 -0.21 -1.42 113.55 119.64 3a22 h SER 132 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 3a22 h SER 132 Cb -0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.06 3a22 h SER 132 CO -0.09 0.06 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 3a22 n LYS 133 N -4.06 2.47 -0.50 4.77 4.76 -0.73 -4.91 118.16 119.95 3a22 n LYS 133 Ca -0.03 -1.85 0.00 0.00 -2.87 0.00 0.00 58.31 53.56 3a22 n LYS 133 Cb 0.15 -1.52 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3a22 n LYS 133 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3a22 n GLY 134 N 1.10 0.73 3.73 0.72 0.00 -0.54 -5.02 105.19 105.91 3a22 n GLY 134 Ca 0.17 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.72 3a22 n GLY 134 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 135 N 0.00 2.66 0.12 0.99 1.43 -0.94 -5.01 118.68 117.94 3a22 s LEU 135 Ca 0.00 -1.42 0.05 0.00 -1.03 0.00 0.00 54.13 51.73 3a22 s LEU 135 Cb 0.00 -0.96 -0.04 0.00 0.03 0.00 0.00 46.19 45.22 3a22 s LEU 135 CO 0.00 -0.71 0.03 -0.54 0.23 0.00 0.00 176.35 175.36 3a22 s LYS 136 N -3.88 2.59 -0.08 1.70 1.02 -0.13 -3.58 119.74 117.38 3a22 s LYS 136 Ca 0.24 -0.90 0.01 0.00 0.02 0.00 0.00 55.97 55.35 3a22 s LYS 136 Cb 0.04 -2.53 -0.03 0.00 -0.52 0.00 0.00 37.83 34.80 3a22 s LYS 136 CO 0.13 0.51 -0.10 0.00 -0.92 0.00 0.00 175.35 174.97 3a22 s ALA 137 N -1.48 2.80 0.14 5.17 0.00 -1.26 -0.15 121.76 126.98 3a22 s ALA 137 Ca 0.27 -0.91 0.11 0.00 0.00 0.00 0.00 51.96 51.43 3a22 s ALA 137 Cb -0.11 -1.17 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 3a22 s ALA 137 CO 0.19 0.47 -0.26 0.20 0.00 0.00 0.00 175.76 176.37 3a22 s GLY 138 N -0.45 1.56 0.39 0.00 0.00 0.58 0.13 107.32 109.53 3a22 s GLY 138 Ca 0.06 -1.47 0.05 0.00 0.00 0.00 0.00 44.72 43.36 3a22 s GLY 138 CO 0.02 -1.46 0.18 -1.50 0.00 0.00 0.00 173.10 170.33 3a22 s ILE 139 N -1.19 0.39 -0.12 0.90 1.10 -0.32 -0.51 121.20 121.46 3a22 s ILE 139 Ca 0.14 -2.00 -0.08 0.00 -0.51 0.00 0.00 60.65 58.20 3a22 s ILE 139 Cb -0.10 -2.36 0.04 0.00 0.15 0.00 0.00 42.46 40.20 3a22 s ILE 139 CO 0.06 0.00 0.30 -0.47 -2.11 0.00 0.00 174.94 172.72 3a22 s TYR 140 N -3.26 -0.39 0.17 3.50 5.04 -1.21 -1.02 117.35 120.18 3a22 s TYR 140 Ca 0.28 0.90 -0.01 0.00 -2.44 0.00 0.00 57.07 55.80 3a22 s TYR 140 Cb 0.02 0.12 0.00 0.00 0.35 0.00 0.00 41.96 42.45 3a22 s TYR 140 CO 0.18 -0.23 0.23 -2.37 -1.34 0.00 0.00 175.55 172.02 3a22 n THR 141 N 3.82 0.00 -4.59 4.34 5.66 -0.58 -4.92 114.28 118.02 3a22 n THR 141 Ca -0.21 -0.83 -0.30 0.00 -3.05 0.00 0.00 64.05 59.67 3a22 n THR 141 Cb 0.55 0.51 -0.13 0.00 -1.55 0.00 0.00 70.33 69.71 3a22 n THR 141 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3a22 s ASP 142 N -2.02 3.44 0.48 1.09 -1.08 -1.26 -0.51 116.67 116.82 3a22 s ASP 142 Ca 0.14 -0.62 0.15 0.00 -0.52 0.00 0.00 52.55 51.70 3a22 s ASP 142 Cb -0.01 -0.36 1.13 0.00 -1.46 0.00 0.00 42.92 42.22 3a22 s ASP 142 CO 0.10 0.22 2.07 0.00 0.52 0.00 0.00 175.17 178.08 3a22 h ALA 143 N 4.25 1.85 -3.48 3.66 0.00 -0.82 0.21 119.26 124.94 3a22 h ALA 143 Ca -0.49 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3a22 h ALA 143 Cb 1.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3a22 h ALA 143 CO 0.43 0.12 0.00 0.41 0.00 0.00 0.00 179.25 180.21 3a22 n GLY 144 N -1.30 0.98 0.17 0.00 0.00 -1.26 -3.58 105.19 100.21 3a22 n GLY 144 Ca -0.02 -1.96 0.06 0.00 0.00 0.00 0.00 46.02 44.09 3a22 n GLY 144 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a22 h LYS 145 N 0.00 0.00 -4.36 1.61 1.57 -1.86 -1.73 116.57 111.80 3a22 h LYS 145 Ca 0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 3a22 h LYS 145 Cb 0.00 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 32.09 3a22 h LYS 145 CO 0.00 0.37 -0.73 -0.51 -0.57 0.00 0.00 179.45 178.01 3a22 s ASP 146 N -6.36 0.65 0.48 0.86 1.11 -1.26 -2.85 116.67 109.29 3a22 s ASP 146 Ca 0.03 -0.48 0.08 0.00 0.18 0.00 0.00 52.55 52.36 3a22 s ASP 146 Cb 0.08 0.04 0.08 0.00 1.07 0.00 0.00 42.92 44.19 3a22 s ASP 146 CO 0.71 -0.20 0.66 0.61 1.18 0.00 0.00 175.17 178.13 3a22 n GLY 147 N 1.67 1.97 0.25 0.21 0.00 -0.97 -2.79 105.19 105.52 3a22 n GLY 147 Ca -0.22 -2.21 0.10 0.00 0.00 0.00 0.00 46.02 43.69 3a22 n GLY 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 h GLY 149 N 0.78 0.00 0.00 0.00 0.00 -1.90 0.22 103.07 102.17 3a22 h GLY 149 Ca -0.00 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.08 3a22 h GLY 149 CO 0.02 0.00 -1.55 2.98 0.00 0.00 0.00 176.54 177.99 3a22 n TYR 150 N -2.57 0.58 0.10 5.60 9.36 0.17 -1.57 117.16 128.83 3a22 n TYR 150 Ca -0.01 0.25 -0.05 0.00 3.32 0.00 0.00 57.90 61.42 3a22 n TYR 150 Cb 0.13 -0.96 0.07 0.00 -0.63 0.00 0.00 39.34 37.94 3a22 n TYR 150 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 3a22 h TYR 151 N -1.00 0.12 -2.03 2.98 0.05 -1.23 -3.37 116.97 112.48 3a22 h TYR 151 Ca -0.38 -0.06 -0.52 0.00 0.05 0.00 0.00 58.73 57.82 3a22 h TYR 151 Cb 1.26 -0.02 -0.40 0.00 1.01 0.00 0.00 36.73 38.59 3a22 h TYR 151 CO -0.06 0.79 -1.10 0.66 -1.05 0.00 0.00 178.16 177.40 3a22 n TYR 152 N -3.70 0.50 -1.66 4.88 4.01 0.75 -5.08 117.16 116.86 3a22 n TYR 152 Ca -0.02 -3.77 -0.47 0.00 -0.16 0.00 0.00 57.90 53.48 3a22 n TYR 152 Cb 0.71 -0.41 -0.04 0.00 -0.31 0.00 0.00 39.34 39.29 3a22 n TYR 152 CO 0.00 0.00 0.00 -2.30 -0.46 0.00 0.00 176.86 174.10 3a22 n PRO 153 N 0.59 2.07 -3.43 -0.72 -0.02 -1.24 -4.65 135.00 127.60 3a22 n PRO 153 Ca 0.25 0.75 -0.28 0.00 -2.02 0.00 0.00 63.50 62.19 3a22 n PRO 153 Cb 0.59 -2.51 -0.11 0.00 -0.02 0.00 0.00 33.50 31.45 3a22 n PRO 153 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3a22 s THR 154 N 1.12 0.31 0.00 3.45 2.01 -1.26 -4.83 115.64 116.44 3a22 s THR 154 Ca 0.80 -2.31 0.00 0.00 0.31 0.00 0.00 61.69 60.49 3a22 s THR 154 Cb -0.70 -1.24 0.00 0.00 0.01 0.00 0.00 72.50 70.57 3a22 s THR 154 CO 0.40 -1.13 0.00 0.61 -0.69 0.00 0.00 174.62 173.80 3a22 n GLY 155 N 3.30 0.36 3.11 4.40 0.00 -1.26 -2.34 105.19 112.76 3a22 n GLY 155 Ca 0.23 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.16 3a22 n GLY 155 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a22 s ARG 156 N -0.79 0.70 0.93 1.61 0.52 -1.26 -4.71 118.95 115.95 3a22 s ARG 156 Ca 0.00 -1.28 -0.11 0.00 -0.52 0.00 0.00 55.73 53.82 3a22 s ARG 156 Cb 0.00 0.15 0.15 0.00 0.52 0.00 0.00 34.95 35.77 3a22 s ARG 156 CO 0.00 -0.12 1.11 -2.14 0.02 0.00 0.00 175.30 174.16 3a22 s PRO 157 N -3.93 0.96 0.47 3.54 0.02 -1.26 -4.77 135.00 130.02 3a22 s PRO 157 Ca 0.11 1.22 -0.24 0.00 0.02 0.00 0.00 61.00 62.11 3a22 s PRO 157 Cb 0.08 -1.74 -0.08 0.00 0.02 0.00 0.00 34.50 32.77 3a22 s PRO 157 CO -0.07 -2.56 1.23 0.00 -0.33 0.00 0.00 177.00 175.26 3a22 n ALA 158 N -4.15 1.12 -3.86 -1.55 0.00 -1.26 -4.93 120.51 105.88 3a22 n ALA 158 Ca 0.09 0.20 -0.28 0.00 0.00 0.00 0.00 53.44 53.45 3a22 n ALA 158 Cb 0.53 -2.25 -0.12 0.00 0.00 0.00 0.00 19.45 17.62 3a22 n ALA 158 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 n ALA 159 N -0.57 3.47 -1.75 0.00 0.00 -0.61 -4.94 120.51 116.11 3a22 n ALA 159 Ca 0.08 -4.53 -0.41 0.00 0.00 0.00 0.00 53.44 48.58 3a22 n ALA 159 Cb 0.41 -1.02 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3a22 n ALA 159 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3a22 n PRO 160 N 1.88 2.45 -0.47 0.00 -0.04 -1.26 -2.97 135.00 134.57 3a22 n PRO 160 Ca 0.21 0.86 0.00 0.00 -0.04 0.00 0.00 63.50 64.53 3a22 n PRO 160 Cb 0.36 -2.56 0.00 0.00 -0.04 0.00 0.00 33.50 31.26 3a22 n PRO 160 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3a22 n GLY 161 N 0.57 0.74 1.69 0.55 0.00 -1.26 -4.09 105.19 103.40 3a22 n GLY 161 Ca 0.03 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.00 3a22 n GLY 161 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a22 n SER 162 N 0.00 5.43 -4.25 1.61 3.41 -1.16 -4.61 113.62 114.05 3a22 n SER 162 Ca 0.00 -2.50 -0.14 0.00 -0.26 0.00 0.00 58.87 55.97 3a22 n SER 162 Cb 0.00 -1.21 -0.10 0.00 -0.26 0.00 0.00 64.21 62.64 3a22 n SER 162 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 3a22 s GLY 163 N 1.82 1.35 0.00 5.00 0.00 -1.13 -2.30 107.32 112.06 3a22 s GLY 163 Ca 0.22 -1.66 0.22 0.00 0.00 0.00 0.00 44.72 43.51 3a22 s GLY 163 CO -0.01 -1.53 1.11 1.44 0.00 0.00 0.00 173.10 174.12 3a22 n SER 164 N -0.29 2.26 -4.64 1.64 7.64 0.06 -4.74 113.62 115.55 3a22 n SER 164 Ca -0.04 -1.63 -0.48 0.00 1.01 0.00 0.00 58.87 57.73 3a22 n SER 164 Cb 0.64 0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 64.15 3a22 n SER 164 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3a22 n GLU 165 N 0.33 1.78 -0.52 1.43 2.13 -0.72 0.84 120.64 125.91 3a22 n GLU 165 Ca 0.10 0.64 0.00 0.00 0.66 0.00 0.00 57.16 58.56 3a22 n GLU 165 Cb 0.49 -2.33 0.00 0.00 0.27 0.00 0.00 31.44 29.87 3a22 n GLU 165 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3a22 n GLY 166 N 2.86 1.41 1.15 8.31 0.00 -1.26 -4.76 105.19 112.89 3a22 n GLY 166 Ca 0.16 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.22 3a22 n GLY 166 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3a22 n HIS 167 N -2.00 0.00 0.18 1.61 8.25 0.25 -4.95 115.22 118.56 3a22 n HIS 167 Ca 0.00 -0.46 -0.14 0.00 -0.26 0.00 0.00 57.72 56.85 3a22 n HIS 167 Cb 0.00 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 30.91 3a22 n HIS 167 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3a22 h TYR 168 N 0.73 -0.53 -0.35 4.41 0.05 -1.80 0.30 116.97 119.78 3a22 h TYR 168 Ca -0.15 -0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.63 3a22 h TYR 168 Cb 1.69 0.20 -0.02 0.00 1.01 0.00 0.00 36.73 39.61 3a22 h TYR 168 CO 0.20 -0.31 0.21 -0.44 -1.05 0.00 0.00 178.16 176.77 3a22 h ASP 169 N -0.48 0.41 -0.02 3.88 3.32 -1.91 -1.29 116.42 120.33 3a22 h ASP 169 Ca -0.02 -0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.99 3a22 h ASP 169 Cb 0.42 -0.10 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 3a22 h ASP 169 CO -0.00 0.33 0.01 -0.61 -1.72 0.00 0.00 179.24 177.25 3a22 h GLN 170 N 0.45 0.02 -0.24 3.56 4.15 -1.87 -1.57 115.11 119.62 3a22 h GLN 170 Ca 0.12 -0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.47 3a22 h GLN 170 Cb -0.01 -0.00 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3a22 h GLN 170 CO -0.02 0.06 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.36 3a22 h ASP 171 N -0.02 0.54 -0.83 -0.69 3.32 -0.33 -1.25 116.42 117.17 3a22 h ASP 171 Ca 0.01 -0.42 -0.02 0.00 0.02 0.00 0.00 57.03 56.61 3a22 h ASP 171 Cb 0.04 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 39.40 3a22 h ASP 171 CO -0.00 0.84 0.43 0.24 -1.72 0.00 0.00 179.24 179.04 3a22 h MET 172 N 0.24 1.18 -0.49 3.56 2.86 -1.23 0.12 114.93 121.17 3a22 h MET 172 Ca 0.05 -0.15 -0.04 0.00 -2.06 0.00 0.00 59.70 57.50 3a22 h MET 172 Cb 0.65 -0.22 -0.02 0.00 0.06 0.00 0.00 31.60 32.06 3a22 h MET 172 CO 0.04 0.88 0.15 1.25 1.06 0.00 0.00 176.91 180.28 3a22 h LEU 173 N 1.18 0.71 -0.53 1.22 5.85 -1.20 -1.38 115.31 121.15 3a22 h LEU 173 Ca 0.29 -0.21 0.02 0.00 0.84 0.00 0.00 57.88 58.82 3a22 h LEU 173 Cb 0.06 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3a22 h LEU 173 CO -0.04 0.74 0.33 -0.61 -0.34 0.00 0.00 178.44 178.52 3a22 h GLN 174 N 0.66 0.65 -0.13 1.25 5.75 -0.53 0.21 115.11 122.97 3a22 h GLN 174 Ca 0.16 -0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.63 3a22 h GLN 174 Cb 0.28 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 28.68 3a22 h GLN 174 CO -0.00 0.43 0.05 0.74 -2.65 0.00 0.00 178.83 177.40 3a22 h PHE 175 N 0.67 0.10 -0.57 3.99 0.04 -0.54 -0.58 116.94 120.05 3a22 h PHE 175 Ca 0.21 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.98 3a22 h PHE 175 Cb -0.02 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.08 3a22 h PHE 175 CO -0.05 0.06 0.36 1.03 -0.60 0.00 0.00 178.31 179.11 3a22 h SER 176 N 0.12 0.66 -0.82 2.17 0.87 -0.96 -1.00 113.55 114.59 3a22 h SER 176 Ca 0.05 -0.03 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3a22 h SER 176 Cb 0.02 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.77 3a22 h SER 176 CO -0.04 0.50 0.46 0.74 -0.53 0.00 0.00 176.83 177.96 3a22 h THR 177 N 0.77 1.24 0.00 2.23 2.02 -0.33 -1.38 112.91 117.47 3a22 h THR 177 Ca 0.21 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.80 3a22 h THR 177 Cb -0.06 0.13 0.00 0.00 -1.74 0.00 0.00 68.15 66.48 3a22 h THR 177 CO -0.04 0.27 0.00 -0.50 0.37 0.00 0.00 175.52 175.61 3a22 h TRP 178 N 1.14 0.00 0.00 3.16 6.55 -0.89 -3.46 115.95 122.45 3a22 h TRP 178 Ca 0.29 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.13 3a22 h TRP 178 Cb 0.02 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.32 3a22 h TRP 178 CO 0.00 0.00 0.00 0.41 -1.05 0.00 0.00 178.44 177.80 3a22 n GLY 179 N -0.63 1.09 3.77 1.49 0.00 -0.52 -4.32 105.19 106.07 3a22 n GLY 179 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 3a22 n GLY 179 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a22 s PHE 180 N -2.00 3.34 -1.34 1.61 0.08 -0.41 -4.68 117.98 114.58 3a22 s PHE 180 Ca 0.00 1.61 0.16 0.00 0.12 0.00 0.00 56.93 58.82 3a22 s PHE 180 Cb 0.00 -3.36 -0.03 0.00 -0.57 0.00 0.00 43.02 39.07 3a22 s PHE 180 CO 0.00 -0.95 0.82 -0.25 -0.10 0.00 0.00 175.22 174.74 3a22 n ASP 181 N 0.74 1.48 -3.70 1.36 8.00 0.12 -4.43 116.55 120.11 3a22 n ASP 181 Ca 0.01 -1.24 -0.13 0.00 0.71 0.00 0.00 54.79 54.14 3a22 n ASP 181 Cb 0.45 0.55 -0.09 0.00 -0.02 0.00 0.00 41.12 42.01 3a22 n ASP 181 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3a22 s PHE 182 N -1.96 -0.57 -0.02 1.24 2.19 -0.98 -1.33 117.98 116.55 3a22 s PHE 182 Ca 0.12 1.36 -0.00 0.00 0.33 0.00 0.00 56.93 58.74 3a22 s PHE 182 Cb 0.13 0.21 0.03 0.00 -1.31 0.00 0.00 43.02 42.07 3a22 s PHE 182 CO 0.43 -0.28 0.02 0.54 1.83 0.00 0.00 175.22 177.77 3a22 s VAL 183 N 0.38 0.00 -0.25 3.12 0.11 0.72 -1.17 120.40 123.30 3a22 s VAL 183 Ca -0.01 0.20 -0.10 0.00 -2.93 0.00 0.00 61.98 59.14 3a22 s VAL 183 Cb -0.04 -0.14 -0.04 0.00 -1.53 0.00 0.00 36.38 34.62 3a22 s VAL 183 CO -0.01 0.11 0.14 -0.75 -3.33 0.00 0.00 175.10 171.27 3a22 s LYS 184 N 1.16 3.92 -0.32 1.54 2.20 -0.18 -0.66 119.74 127.40 3a22 s LYS 184 Ca -0.08 -0.34 -0.03 0.00 -0.36 0.00 0.00 55.97 55.15 3a22 s LYS 184 Cb -0.13 -3.51 0.05 0.00 -1.51 0.00 0.00 37.83 32.72 3a22 s LYS 184 CO -0.03 -0.08 0.04 0.08 -0.36 0.00 0.00 175.35 175.00 3a22 s VAL 185 N 1.42 3.23 0.81 4.02 1.01 -0.37 -1.52 120.40 129.01 3a22 s VAL 185 Ca 0.07 -1.33 -0.07 0.00 0.00 0.00 0.00 61.98 60.64 3a22 s VAL 185 Cb -0.15 -2.86 0.17 0.00 0.00 0.00 0.00 36.38 33.55 3a22 s VAL 185 CO 0.07 -0.15 1.11 -0.67 0.00 0.00 0.00 175.10 175.46 3a22 n ASP 186 N 4.68 0.78 -0.04 3.32 -0.08 0.34 -1.35 116.55 124.19 3a22 n ASP 186 Ca -0.13 -1.83 0.00 0.00 -1.51 0.00 0.00 54.79 51.33 3a22 n ASP 186 Cb 0.44 -0.79 0.01 0.00 2.34 0.00 0.00 41.12 43.12 3a22 n ASP 186 CO 0.00 0.00 0.00 1.87 0.12 0.00 0.00 177.20 179.19 3a22 n TRP 187 N -3.24 0.00 -0.30 -0.67 -0.00 -1.14 -0.12 117.44 111.96 3a22 n TRP 187 Ca 0.16 -0.22 -0.03 0.00 -0.00 0.00 0.00 57.50 57.41 3a22 n TRP 187 Cb 0.57 -0.03 0.09 0.00 -0.00 0.00 0.00 31.31 31.94 3a22 n TRP 187 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 3a22 h GLY 189 N 1.10 0.64 0.96 0.00 0.00 -1.82 -1.79 103.07 102.15 3a22 h GLY 189 Ca 0.31 -0.75 -0.01 0.00 0.00 0.00 0.00 47.33 46.88 3a22 h GLY 189 CO -0.08 0.67 0.20 -1.33 0.00 0.00 0.00 176.54 176.01 3a22 h GLY 190 N 1.03 0.57 0.93 4.60 0.00 -1.73 -1.46 103.07 107.00 3a22 h GLY 190 Ca 0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.06 3a22 h GLY 190 CO 0.11 0.25 0.13 -1.80 0.00 0.00 0.00 176.54 175.23 3a22 h ASP 191 N 0.48 0.34 -0.34 0.19 3.58 -0.95 0.18 116.42 119.90 3a22 h ASP 191 Ca 0.13 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.39 3a22 h ASP 191 Cb 0.07 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.01 3a22 h ASP 191 CO -0.02 0.37 0.01 0.00 -2.88 0.00 0.00 179.24 176.73 3a22 h ALA 192 N 0.98 1.21 -0.01 -0.78 0.00 -1.20 -2.69 119.26 116.77 3a22 h ALA 192 Ca 0.09 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.76 3a22 h ALA 192 Cb 0.12 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.73 3a22 h ALA 192 CO -0.01 0.52 -0.08 0.39 0.00 0.00 0.00 179.25 180.07 3a22 n GLU 193 N -4.24 1.41 -3.08 0.00 1.02 -0.56 -4.96 120.64 110.22 3a22 n GLU 193 Ca 0.02 -0.82 -0.22 0.00 -0.02 0.00 0.00 57.16 56.13 3a22 n GLU 193 Cb 0.27 -1.48 0.04 0.00 -0.02 0.00 0.00 31.44 30.25 3a22 n GLU 193 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a22 n GLY 194 N 1.23 -0.46 3.78 0.62 0.00 -0.69 -4.99 105.19 104.68 3a22 n GLY 194 Ca 0.17 0.11 -0.34 0.00 0.00 0.00 0.00 46.02 45.96 3a22 n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 195 N -6.48 3.62 -0.19 0.99 1.43 -0.04 -5.01 118.68 113.01 3a22 s LEU 195 Ca 0.34 2.04 -0.28 0.00 -1.03 0.00 0.00 54.13 55.20 3a22 s LEU 195 Cb -0.15 -4.56 -0.00 0.00 0.03 0.00 0.00 46.19 41.51 3a22 s LEU 195 CO 0.42 -1.26 0.96 -0.62 0.23 0.00 0.00 176.35 176.08 3a22 s ASP 196 N -2.18 7.07 0.04 2.29 2.15 -1.26 -4.86 116.67 119.92 3a22 s ASP 196 Ca 0.69 1.33 -0.19 0.00 0.43 0.00 0.00 52.55 54.81 3a22 s ASP 196 Cb -0.21 -2.51 -0.15 0.00 -0.30 0.00 0.00 42.92 39.75 3a22 s ASP 196 CO 0.31 -0.54 1.30 0.00 -0.17 0.00 0.00 175.17 176.07 3a22 h ALA 197 N 7.37 0.22 -0.48 3.66 0.00 -1.95 -1.17 119.26 126.92 3a22 h ALA 197 Ca -0.24 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.31 3a22 h ALA 197 Cb 1.10 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 3a22 h ALA 197 CO 0.91 0.21 0.25 0.00 0.00 0.00 0.00 179.25 180.62 3a22 h ALA 198 N 0.56 0.61 -0.12 0.00 0.00 -1.93 0.16 119.26 118.53 3a22 h ALA 198 Ca 0.01 0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.71 3a22 h ALA 198 Cb 0.84 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.55 3a22 h ALA 198 CO 0.06 -0.09 -0.81 1.79 0.00 0.00 0.00 179.25 180.20 3a22 h THR 199 N 0.50 1.29 -0.29 0.00 1.35 -1.98 -1.56 112.91 112.22 3a22 h THR 199 Ca 0.20 -2.04 -0.01 0.00 -0.55 0.00 0.00 66.41 64.02 3a22 h THR 199 Cb 0.09 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.55 3a22 h THR 199 CO -0.13 0.64 0.14 0.74 -0.25 0.00 0.00 175.52 176.66 3a22 h THR 200 N 0.49 1.15 0.00 6.82 2.02 -1.01 -2.00 112.91 120.37 3a22 h THR 200 Ca -0.06 -0.42 -0.08 0.00 0.77 0.00 0.00 66.41 66.62 3a22 h THR 200 Cb 1.44 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 68.73 3a22 h THR 200 CO 0.16 0.15 -0.38 1.88 0.37 0.00 0.00 175.52 177.70 3a22 h TYR 201 N 0.34 0.00 -0.35 3.16 0.05 -0.69 -1.41 116.97 118.06 3a22 h TYR 201 Ca 0.10 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 3a22 h TYR 201 Cb 0.11 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 37.84 3a22 h TYR 201 CO -0.02 0.38 0.22 -0.22 -1.05 0.00 0.00 178.16 177.47 3a22 h LYS 202 N 0.00 0.48 -0.70 4.88 1.63 -1.03 0.12 116.57 121.95 3a22 h LYS 202 Ca -0.00 -0.04 0.03 0.00 -0.85 0.00 0.00 60.65 59.78 3a22 h LYS 202 Cb 0.83 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 3a22 h LYS 202 CO 0.05 0.36 0.44 1.03 -3.45 0.00 0.00 179.45 177.87 3a22 h SER 203 N 0.46 0.71 -0.27 4.20 0.87 -0.84 -1.35 113.55 117.33 3a22 h SER 203 Ca 0.13 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 3a22 h SER 203 Cb -0.00 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.80 3a22 h SER 203 CO -0.02 0.49 -0.08 0.40 -0.53 0.00 0.00 176.83 177.09 3a22 h ILE 204 N 0.85 1.29 -0.66 2.23 2.04 -1.03 -1.89 117.51 120.34 3a22 h ILE 204 Ca 0.28 -1.12 0.06 0.00 1.00 0.00 0.00 64.86 65.09 3a22 h ILE 204 Cb 0.02 1.46 -0.06 0.00 -0.74 0.00 0.00 36.82 37.51 3a22 h ILE 204 CO -0.11 0.35 0.35 -1.28 0.00 0.00 0.00 178.15 177.46 3a22 h SER 205 N 0.28 0.50 -0.55 1.72 0.87 -0.83 -0.08 113.55 115.46 3a22 h SER 205 Ca 0.07 0.04 0.03 0.00 -1.23 0.00 0.00 61.79 60.70 3a22 h SER 205 Cb 0.56 -0.06 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 3a22 h SER 205 CO 0.03 0.32 0.31 0.44 -0.53 0.00 0.00 176.83 177.40 3a22 h ASP 206 N 0.64 0.48 -0.67 6.23 3.32 -1.03 -0.92 116.42 124.47 3a22 h ASP 206 Ca 0.30 0.01 -0.07 0.00 0.02 0.00 0.00 57.03 57.30 3a22 h ASP 206 Cb 0.22 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3a22 h ASP 206 CO -0.20 0.33 0.16 0.00 -1.72 0.00 0.00 179.24 177.81 3a22 h ALA 207 N 1.26 0.98 -0.22 3.45 0.00 -0.79 0.97 119.26 124.92 3a22 h ALA 207 Ca 0.23 -0.25 0.01 0.00 0.00 0.00 0.00 54.91 54.90 3a22 h ALA 207 Cb 0.08 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 3a22 h ALA 207 CO -0.12 0.65 0.11 0.28 0.00 0.00 0.00 179.25 180.17 3a22 h VAL 208 N 1.04 0.99 -0.63 0.00 2.07 -0.75 -0.77 116.25 118.19 3a22 h VAL 208 Ca 0.21 -0.08 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3a22 h VAL 208 Cb 0.38 0.74 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 3a22 h VAL 208 CO 0.00 0.04 0.41 1.23 0.02 0.00 0.00 177.57 179.28 3a22 h GLY 209 N 0.23 0.89 1.31 2.17 0.00 -0.73 -1.95 103.07 105.00 3a22 h GLY 209 Ca 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 47.33 47.04 3a22 h GLY 209 CO -0.06 0.31 0.09 3.21 0.00 0.00 0.00 176.54 180.09 3a22 h ARG 210 N 0.83 0.86 -0.01 4.80 3.08 -0.53 -1.64 114.38 121.78 3a22 h ARG 210 Ca 0.23 -0.20 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 3a22 h ARG 210 Cb -0.07 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 3a22 h ARG 210 CO -0.06 0.80 0.00 0.00 -1.07 0.00 0.00 179.97 179.64 3a22 h ALA 211 N 1.28 0.01 -0.83 0.04 0.00 -0.85 -1.56 119.26 117.35 3a22 h ALA 211 Ca 0.17 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3a22 h ALA 211 Cb 0.36 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3a22 h ALA 211 CO 0.01 -0.37 0.52 0.00 0.00 0.00 0.00 179.25 179.41 3a22 h ALA 212 N 0.78 1.36 0.00 0.00 0.00 -1.30 -1.99 119.26 118.11 3a22 h ALA 212 Ca 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 3a22 h ALA 212 Cb 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3a22 h ALA 212 CO 0.00 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.34 3a22 h ALA 213 N 1.44 1.19 -0.14 0.00 0.00 -1.20 0.14 119.26 120.70 3a22 h ALA 213 Ca 0.30 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.68 3a22 h ALA 213 Cb -0.09 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.63 3a22 h ALA 213 CO -0.06 0.60 -0.30 1.15 0.00 0.00 0.00 179.25 180.64 3a22 h THR 214 N 0.00 1.37 0.00 0.00 2.02 -0.78 -3.37 112.91 112.14 3a22 h THR 214 Ca -0.00 -1.58 -0.21 0.00 0.77 0.00 0.00 66.41 65.39 3a22 h THR 214 Cb 0.86 2.03 -0.04 0.00 -1.74 0.00 0.00 68.15 69.26 3a22 h THR 214 CO 0.06 0.47 -1.56 0.35 0.37 0.00 0.00 175.52 175.22 3a22 n THR 215 N -4.39 1.30 -1.01 3.16 -2.24 -0.79 -4.96 114.28 105.34 3a22 n THR 215 Ca -0.07 -0.73 -0.00 0.00 -2.27 0.00 0.00 64.05 60.98 3a22 n THR 215 Cb 0.48 -0.80 -0.00 0.00 -2.10 0.00 0.00 70.33 67.90 3a22 n THR 215 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 216 N 1.46 0.47 3.40 3.38 0.00 0.49 -5.04 105.19 109.34 3a22 n GLY 216 Ca -0.13 -0.29 -0.35 0.00 0.00 0.00 0.00 46.02 45.25 3a22 n GLY 216 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a22 s ARG 217 N -0.62 3.54 0.56 1.61 3.52 -1.24 -5.06 118.95 121.27 3a22 s ARG 217 Ca 0.00 -0.54 -0.20 0.00 -0.13 0.00 0.00 55.73 54.85 3a22 s ARG 217 Cb 0.00 -3.14 -0.05 0.00 -1.56 0.00 0.00 34.95 30.20 3a22 s ARG 217 CO 0.00 -0.13 1.14 -2.30 -0.81 0.00 0.00 175.30 173.20 3a22 n PRO 218 N 4.67 1.26 -3.87 5.12 -0.02 -1.26 -4.40 135.00 136.49 3a22 n PRO 218 Ca -0.17 0.47 -0.29 0.00 -2.02 0.00 0.00 63.50 61.49 3a22 n PRO 218 Cb 0.51 -2.33 -0.16 0.00 -0.02 0.00 0.00 33.50 31.51 3a22 n PRO 218 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 3a22 s LEU 219 N -2.52 1.84 -0.17 2.45 2.96 -1.26 -4.58 118.68 117.40 3a22 s LEU 219 Ca 0.73 -0.87 -0.23 0.00 -0.22 0.00 0.00 54.13 53.54 3a22 s LEU 219 Cb -0.43 -0.93 -0.02 0.00 0.50 0.00 0.00 46.19 45.30 3a22 s LEU 219 CO 0.48 -0.23 0.72 -0.89 -1.32 0.00 0.00 176.35 175.12 3a22 s THR 220 N 1.60 4.97 -0.22 3.68 2.01 -0.44 -4.92 115.64 122.32 3a22 s THR 220 Ca -0.02 1.40 -0.14 0.00 0.31 0.00 0.00 61.69 63.24 3a22 s THR 220 Cb -0.17 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.26 3a22 s THR 220 CO -0.07 0.09 0.31 -0.22 -0.69 0.00 0.00 174.62 174.04 3a22 s LEU 221 N 1.87 4.14 -0.28 4.42 2.96 -1.26 -0.20 118.68 130.32 3a22 s LEU 221 Ca 0.34 0.36 -0.09 0.00 -0.22 0.00 0.00 54.13 54.51 3a22 s LEU 221 Cb -0.16 -2.36 -0.02 0.00 0.50 0.00 0.00 46.19 44.15 3a22 s LEU 221 CO 0.12 -0.03 0.13 -0.55 -1.32 0.00 0.00 176.35 174.70 3a22 s SER 222 N 1.06 5.48 -0.12 3.68 0.15 0.16 -3.71 113.70 120.40 3a22 s SER 222 Ca 0.15 -0.33 -0.27 0.00 0.70 0.00 0.00 55.95 56.19 3a22 s SER 222 Cb -0.14 -1.99 -0.02 0.00 -1.71 0.00 0.00 66.02 62.16 3a22 s SER 222 CO 0.07 -0.11 0.91 -0.63 1.20 0.00 0.00 173.24 174.68 3a22 s ILE 223 N 1.64 4.84 -0.58 6.45 1.01 -0.47 -1.23 121.20 132.86 3a22 s ILE 223 Ca 0.06 1.84 0.04 0.00 0.00 0.00 0.00 60.65 62.58 3a22 s ILE 223 Cb -0.16 -4.22 0.15 0.00 0.01 0.00 0.00 42.46 38.24 3a22 s ILE 223 CO 0.06 0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.41 3a22 n ASN 225 N 2.64 1.22 -1.10 0.00 6.94 -1.26 -2.91 115.26 120.79 3a22 n ASN 225 Ca 0.15 -2.41 -0.12 0.00 -0.02 0.00 0.00 54.58 52.18 3a22 n ASN 225 Cb 0.36 -0.27 -0.04 0.00 -2.36 0.00 0.00 39.78 37.47 3a22 n ASN 225 CO 0.00 0.00 0.00 0.79 -1.03 0.00 0.00 177.26 177.02 3a22 n TRP 226 N -0.68 -0.19 -0.97 -2.53 8.01 -1.25 -1.67 117.44 118.16 3a22 n TRP 226 Ca 0.07 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.26 3a22 n TRP 226 Cb 0.62 -2.43 0.00 0.00 -2.01 0.00 0.00 31.31 27.49 3a22 n TRP 226 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3a22 n GLY 227 N -1.32 0.81 3.77 6.99 0.00 -1.01 -3.22 105.19 111.21 3a22 n GLY 227 Ca -0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.49 3a22 n GLY 227 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a22 s TYR 228 N -3.32 3.27 -1.41 1.61 1.51 -0.67 -2.42 117.35 115.92 3a22 s TYR 228 Ca 0.00 1.57 -0.00 0.00 -1.01 0.00 0.00 57.07 57.62 3a22 s TYR 228 Cb 0.00 -3.45 0.00 0.00 -0.11 0.00 0.00 41.96 38.40 3a22 s TYR 228 CO 0.00 -1.19 0.01 1.04 -1.11 0.00 0.00 175.55 174.30 3a22 n GLN 229 N 0.78 -2.01 -3.40 -0.62 6.02 -1.26 -4.01 117.38 112.88 3a22 n GLN 229 Ca 0.01 0.80 -0.15 0.00 -0.01 0.00 0.00 57.00 57.64 3a22 n GLN 229 Cb 0.44 -5.43 0.02 0.00 1.02 0.00 0.00 30.24 26.29 3a22 n GLN 229 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 3a22 n ASN 230 N -1.92 -6.41 0.29 1.08 3.02 -1.02 -4.88 115.26 105.42 3a22 n ASN 230 Ca -0.19 -0.59 0.15 0.00 -0.03 0.00 0.00 54.58 53.92 3a22 n ASN 230 Cb 0.65 -4.07 0.87 0.00 -0.61 0.00 0.00 39.78 36.61 3a22 n ASN 230 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 3a22 h PRO 231 N -0.53 0.00 -0.32 3.52 0.13 -1.77 -1.48 132.00 131.55 3a22 h PRO 231 Ca -0.39 0.00 0.09 0.00 -0.87 0.00 0.00 66.00 64.83 3a22 h PRO 231 Cb 1.22 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 3a22 h PRO 231 CO 0.38 0.05 0.37 0.11 -0.23 0.00 0.00 178.00 178.68 3a22 h TRP 232 N 0.00 0.00 -0.13 1.56 0.09 -1.92 0.61 115.95 116.16 3a22 h TRP 232 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 58.86 3a22 h TRP 232 Cb 0.15 0.00 -0.01 0.00 0.08 0.00 0.00 29.16 29.38 3a22 h TRP 232 CO 0.00 0.00 -0.46 -0.91 0.09 0.00 0.00 178.44 177.16 3a22 h ASN 233 N 0.00 0.34 0.00 0.11 2.35 -1.61 -3.42 115.58 113.35 3a22 h ASN 233 Ca 0.15 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3a22 h ASN 233 Cb 0.89 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.17 3a22 h ASN 233 CO -0.00 0.75 -0.12 -2.67 -1.65 0.00 0.00 177.43 173.74 3a22 n TRP 234 N -3.99 0.00 0.06 1.19 4.27 -0.67 -4.83 117.44 113.47 3a22 n TRP 234 Ca -0.02 0.00 -0.08 0.00 -3.89 0.00 0.00 57.50 53.51 3a22 n TRP 234 Cb 0.52 0.00 0.06 0.00 -1.36 0.00 0.00 31.31 30.53 3a22 n TRP 234 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 3a22 h ALA 235 N 0.00 0.67 -2.16 -1.67 0.00 -1.16 -3.40 119.26 111.54 3a22 h ALA 235 Ca 0.00 -0.59 -0.60 0.00 0.00 0.00 0.00 54.91 53.72 3a22 h ALA 235 Cb 0.00 -0.07 0.05 0.00 0.00 0.00 0.00 17.79 17.77 3a22 h ALA 235 CO 0.00 0.76 0.76 0.00 0.00 0.00 0.00 179.25 180.77 3a22 n ALA 236 N -2.49 0.96 0.00 0.00 0.00 -1.26 -0.32 120.51 117.40 3a22 n ALA 236 Ca -0.04 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.85 3a22 n ALA 236 Cb 0.68 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.82 3a22 n ALA 236 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 237 N 3.34 2.91 0.12 0.00 0.00 -1.26 -4.29 105.19 106.00 3a22 n GLY 237 Ca 0.18 -0.17 -0.18 0.00 0.00 0.00 0.00 46.02 45.85 3a22 n GLY 237 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3a22 h GLN 238 N 0.00 0.27 -2.45 1.61 4.20 -0.89 -3.49 115.11 114.35 3a22 h GLN 238 Ca 0.00 -0.46 -0.06 0.00 0.06 0.00 0.00 58.65 58.19 3a22 h GLN 238 Cb 0.00 0.17 -0.17 0.00 0.30 0.00 0.00 27.48 27.78 3a22 h GLN 238 CO 0.00 1.13 0.10 0.00 -0.67 0.00 0.00 178.83 179.39 3a22 s ALA 239 N -2.61 -1.51 0.17 3.87 0.00 -0.85 -4.75 121.76 116.08 3a22 s ALA 239 Ca -0.10 0.90 0.34 0.00 0.00 0.00 0.00 51.96 53.10 3a22 s ALA 239 Cb 0.07 0.22 1.45 0.00 0.00 0.00 0.00 23.12 24.87 3a22 s ALA 239 CO 0.85 -0.44 2.02 -1.00 0.00 0.00 0.00 175.76 177.18 3a22 h PRO 240 N 2.91 0.00 -3.06 0.00 0.13 -1.79 -3.41 132.00 126.78 3a22 h PRO 240 Ca -0.29 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.71 3a22 h PRO 240 Cb 1.18 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.10 3a22 h PRO 240 CO 0.40 0.02 -0.31 -0.48 -0.23 0.00 0.00 178.00 177.39 3a22 s LEU 241 N -6.25 0.90 -0.03 1.56 2.34 -1.25 0.02 118.68 115.97 3a22 s LEU 241 Ca 0.00 0.21 -0.01 0.00 0.06 0.00 0.00 54.13 54.39 3a22 s LEU 241 Cb 0.10 1.16 0.03 0.00 -0.56 0.00 0.00 46.19 46.92 3a22 s LEU 241 CO 0.54 -0.35 0.06 -1.66 -1.06 0.00 0.00 176.35 173.88 3a22 s TRP 242 N -0.93 -0.04 0.26 3.48 -2.14 -1.05 -1.37 118.94 117.14 3a22 s TRP 242 Ca -0.10 0.23 -0.30 0.00 2.66 0.00 0.00 56.10 58.59 3a22 s TRP 242 Cb -0.05 -0.15 -0.10 0.00 -3.10 0.00 0.00 33.47 30.07 3a22 s TRP 242 CO 0.03 -0.10 1.45 1.03 -2.66 0.00 0.00 176.95 176.70 3a22 s ARG 243 N 0.92 4.25 0.00 3.25 1.81 -0.18 -1.10 118.95 127.90 3a22 s ARG 243 Ca -0.07 2.34 0.14 0.00 -1.72 0.00 0.00 55.73 56.41 3a22 s ARG 243 Cb -0.10 -3.09 -0.08 0.00 -0.45 0.00 0.00 34.95 31.23 3a22 s ARG 243 CO -0.03 -0.43 0.68 0.25 -0.68 0.00 0.00 175.30 175.08 3a22 n THR 244 N 2.16 0.00 -3.93 0.02 -2.24 -0.99 -2.42 114.28 106.89 3a22 n THR 244 Ca 0.06 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.46 3a22 n THR 244 Cb 0.40 1.08 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 3a22 n THR 244 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3a22 n SER 245 N -0.75 -1.53 -3.97 3.42 3.41 -1.23 -3.77 113.62 109.21 3a22 n SER 245 Ca 0.04 -2.66 -0.30 0.00 -0.26 0.00 0.00 58.87 55.70 3a22 n SER 245 Cb 0.25 2.71 0.23 0.00 -0.26 0.00 0.00 64.21 67.14 3a22 n SER 245 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3a22 s THR 246 N -2.60 1.69 0.36 6.66 -4.23 -1.20 -4.21 115.64 112.11 3a22 s THR 246 Ca 0.23 0.00 -0.28 0.00 -1.18 0.00 0.00 61.69 60.46 3a22 s THR 246 Cb -0.02 -2.52 -0.10 0.00 1.34 0.00 0.00 72.50 71.20 3a22 s THR 246 CO 0.17 0.00 1.30 -1.81 -0.54 0.00 0.00 174.62 173.74 3a22 s ASP 247 N -3.90 6.63 0.45 3.99 1.11 -1.26 -4.92 116.67 118.77 3a22 s ASP 247 Ca 0.70 2.67 0.19 0.00 0.18 0.00 0.00 52.55 56.29 3a22 s ASP 247 Cb -0.11 -2.64 1.07 0.00 1.07 0.00 0.00 42.92 42.31 3a22 s ASP 247 CO 0.56 -0.63 1.95 -0.29 1.18 0.00 0.00 175.17 177.94 3a22 h ILE 248 N 2.84 0.92 -2.62 0.77 2.10 -1.91 -3.44 117.51 116.18 3a22 h ILE 248 Ca -0.49 -0.84 -0.11 0.00 1.08 0.00 0.00 64.86 64.50 3a22 h ILE 248 Cb 1.23 1.49 -0.23 0.00 -1.09 0.00 0.00 36.82 38.22 3a22 h ILE 248 CO 0.64 0.22 -0.16 -0.51 -1.08 0.00 0.00 178.15 177.26 3a22 s ILE 249 N -4.25 0.01 -0.07 2.19 2.07 -1.26 -4.67 121.20 115.21 3a22 s ILE 249 Ca -0.03 -0.05 -0.00 0.00 -1.41 0.00 0.00 60.65 59.16 3a22 s ILE 249 Cb 0.14 -0.67 -0.03 0.00 0.13 0.00 0.00 42.46 42.03 3a22 s ILE 249 CO 0.66 -0.03 -0.04 -0.31 -1.91 0.00 0.00 174.94 173.31 3a22 s TYR 250 N 0.02 3.03 0.12 3.50 1.51 -1.26 -5.02 117.35 119.24 3a22 s TYR 250 Ca -0.02 0.09 -0.31 0.00 -1.01 0.00 0.00 57.07 55.82 3a22 s TYR 250 Cb -0.03 -1.74 -0.10 0.00 -0.11 0.00 0.00 41.96 39.98 3a22 s TYR 250 CO 0.01 0.39 1.69 -0.47 -1.11 0.00 0.00 175.55 176.07 3a22 s TYR 251 N -0.85 2.54 0.00 2.71 5.04 -1.26 -1.15 117.35 124.38 3a22 s TYR 251 Ca 0.13 0.30 0.00 0.00 -2.44 0.00 0.00 57.07 55.06 3a22 s TYR 251 Cb -0.11 -4.03 0.00 0.00 0.35 0.00 0.00 41.96 38.17 3a22 s TYR 251 CO 0.02 -4.09 0.00 0.41 -1.34 0.00 0.00 175.55 170.55 3a22 n GLY 252 N 4.01 2.64 3.91 8.97 0.00 -1.26 -5.09 105.19 118.37 3a22 n GLY 252 Ca 0.16 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.90 3a22 n GLY 252 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a22 s ASN 253 N -0.80 6.34 0.21 1.61 0.01 -0.30 -5.09 114.94 116.92 3a22 s ASN 253 Ca 0.00 0.85 -0.21 0.00 -0.71 0.00 0.00 52.86 52.78 3a22 s ASN 253 Cb 0.00 -2.21 -0.08 0.00 0.41 0.00 0.00 41.25 39.37 3a22 s ASN 253 CO 0.00 -0.44 0.74 -1.10 -1.51 0.00 0.00 177.10 174.80 3a22 s GLN 254 N -4.32 4.33 0.25 -0.60 -1.52 -1.26 -4.86 119.66 111.68 3a22 s GLN 254 Ca 0.46 0.95 -0.30 0.00 -1.95 0.00 0.00 55.36 54.52 3a22 s GLN 254 Cb -0.10 -2.97 -0.14 0.00 -0.22 0.00 0.00 33.01 29.58 3a22 s GLN 254 CO 0.39 0.43 1.22 -2.30 -0.25 0.00 0.00 175.29 174.78 3a22 n PRO 255 N 0.93 1.65 -4.55 2.91 -0.02 -1.26 -4.99 135.00 129.66 3a22 n PRO 255 Ca -0.03 0.58 -0.28 0.00 -2.02 0.00 0.00 63.50 61.75 3a22 n PRO 255 Cb 0.50 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.71 3a22 n PRO 255 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3a22 s SER 256 N -0.09 2.39 0.36 2.55 0.15 -1.26 -4.86 113.70 112.94 3a22 s SER 256 Ca 0.65 -0.42 0.04 0.00 0.70 0.00 0.00 55.95 56.92 3a22 s SER 256 Cb -0.70 -1.08 0.69 0.00 -1.71 0.00 0.00 66.02 63.22 3a22 s SER 256 CO 0.55 0.03 1.99 -0.03 1.20 0.00 0.00 173.24 176.98 3a22 h MET 257 N 7.27 0.66 -0.20 5.44 4.05 -1.98 -0.59 114.93 129.58 3a22 h MET 257 Ca -0.30 -0.07 0.02 0.00 -0.28 0.00 0.00 59.70 59.07 3a22 h MET 257 Cb 1.18 -0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.83 3a22 h MET 257 CO 0.49 0.49 0.08 1.15 0.23 0.00 0.00 176.91 179.35 3a22 h THR 258 N 0.67 0.97 -0.67 -0.77 2.02 -1.99 -0.12 112.91 113.02 3a22 h THR 258 Ca 0.17 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 67.24 3a22 h THR 258 Cb 0.04 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.19 3a22 h THR 258 CO -0.03 0.03 0.26 -1.28 0.37 0.00 0.00 175.52 174.87 3a22 h SER 259 N 0.19 0.94 -0.37 4.18 0.87 -1.80 -0.84 113.55 116.71 3a22 h SER 259 Ca 0.08 -0.18 0.01 0.00 -1.23 0.00 0.00 61.79 60.48 3a22 h SER 259 Cb 0.04 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 3a22 h SER 259 CO -0.07 0.86 0.22 0.25 -0.53 0.00 0.00 176.83 177.56 3a22 h LEU 260 N 0.96 0.37 -0.69 2.23 6.46 -0.93 -1.05 115.31 122.67 3a22 h LEU 260 Ca 0.22 -0.00 -0.14 0.00 -0.12 0.00 0.00 57.88 57.84 3a22 h LEU 260 Cb 0.23 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 3a22 h LEU 260 CO -0.02 0.27 -0.49 -0.07 -0.62 0.00 0.00 178.44 177.51 3a22 h LEU 261 N 0.45 0.45 -0.34 2.25 3.38 -0.78 -0.92 115.31 119.80 3a22 h LEU 261 Ca 0.14 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 3a22 h LEU 261 Cb -0.01 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3a22 h LEU 261 CO -0.06 0.87 0.13 -1.28 0.09 0.00 0.00 178.44 178.20 3a22 h SER 262 N 0.33 0.48 -0.70 -0.43 0.87 -0.92 -0.71 113.55 112.47 3a22 h SER 262 Ca 0.02 -0.17 0.00 0.00 -1.23 0.00 0.00 61.79 60.40 3a22 h SER 262 Cb 0.98 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.78 3a22 h SER 262 CO 0.09 0.52 0.45 0.78 -0.53 0.00 0.00 176.83 178.14 3a22 h ASN 263 N 0.41 0.83 -0.08 6.23 4.21 -0.94 -1.58 115.58 124.65 3a22 h ASN 263 Ca 0.11 -0.04 0.02 0.00 1.21 0.00 0.00 56.30 57.60 3a22 h ASN 263 Cb 0.20 -0.21 -0.02 0.00 -1.12 0.00 0.00 38.32 37.17 3a22 h ASN 263 CO -0.01 0.62 -0.06 0.15 -1.29 0.00 0.00 177.43 176.85 3a22 h PHE 264 N 0.96 -0.14 -0.91 1.19 3.57 -0.95 -2.52 116.94 118.14 3a22 h PHE 264 Ca 0.26 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.77 3a22 h PHE 264 Cb -0.07 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 3a22 h PHE 264 CO -0.02 -0.09 0.57 -0.44 -2.23 0.00 0.00 178.31 176.10 3a22 h ASP 265 N -0.07 1.07 0.80 0.41 3.32 -0.91 -2.48 116.42 118.56 3a22 h ASP 265 Ca 0.05 -0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3a22 h ASP 265 Cb 0.14 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3a22 h ASP 265 CO -0.12 0.80 0.00 0.00 -1.72 0.00 0.00 179.24 178.20 3a22 n GLN 266 N -4.41 0.14 0.00 3.56 6.02 -0.62 -3.01 117.38 119.06 3a22 n GLN 266 Ca 0.10 0.32 0.12 0.00 -0.01 0.00 0.00 57.00 57.53 3a22 n GLN 266 Cb 0.04 -1.75 0.21 0.00 1.02 0.00 0.00 30.24 29.76 3a22 n GLN 266 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 3a22 n THR 267 N -2.01 0.00 -2.51 5.09 5.66 -0.93 -4.78 114.28 114.79 3a22 n THR 267 Ca 0.03 -0.09 -0.40 0.00 -3.05 0.00 0.00 64.05 60.54 3a22 n THR 267 Cb 0.25 0.58 -0.03 0.00 -1.55 0.00 0.00 70.33 69.58 3a22 n THR 267 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 3a22 s LEU 268 N -2.72 3.29 -0.42 1.09 1.43 -1.16 -4.80 118.68 115.39 3a22 s LEU 268 Ca 0.17 -0.77 0.04 0.00 -1.03 0.00 0.00 54.13 52.54 3a22 s LEU 268 Cb 0.18 -2.56 0.18 0.00 0.03 0.00 0.00 46.19 44.01 3a22 s LEU 268 CO 0.63 -1.78 0.38 1.41 0.23 0.00 0.00 176.35 177.23 3a22 n HIS 269 N 9.52 -1.18 0.31 0.29 8.25 -1.26 -5.03 115.22 126.12 3a22 n HIS 269 Ca 0.16 -3.14 0.16 0.00 -0.26 0.00 0.00 57.72 54.63 3a22 n HIS 269 Cb 0.50 0.35 0.59 0.00 1.12 0.00 0.00 29.99 32.55 3a22 n HIS 269 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 3a22 h PRO 270 N 5.49 0.00 0.00 -0.41 0.13 -1.91 -2.51 132.00 132.78 3a22 h PRO 270 Ca 0.24 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.35 3a22 h PRO 270 Cb 0.93 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.05 3a22 h PRO 270 CO 0.34 0.00 -0.10 1.79 -0.23 0.00 0.00 178.00 179.80 3a22 h THR 271 N 0.00 0.19 0.00 1.56 1.35 -1.96 -3.29 112.91 110.76 3a22 h THR 271 Ca 0.00 -1.12 0.00 0.00 -0.55 0.00 0.00 66.41 64.74 3a22 h THR 271 Cb 0.53 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 3a22 h THR 271 CO 0.00 0.10 -1.18 0.00 -0.25 0.00 0.00 175.52 174.19 3a22 n ALA 272 N -2.13 2.82 -2.76 6.62 0.00 -0.95 -4.83 120.51 119.29 3a22 n ALA 272 Ca 0.03 -0.33 -0.36 0.00 0.00 0.00 0.00 53.44 52.77 3a22 n ALA 272 Cb 0.51 -1.01 -0.10 0.00 0.00 0.00 0.00 19.45 18.86 3a22 n ALA 272 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 3a22 s GLN 273 N -3.34 3.97 0.00 0.00 0.74 -1.21 -4.72 119.66 115.10 3a22 s GLN 273 Ca -0.00 -0.32 0.00 0.00 0.05 0.00 0.00 55.36 55.08 3a22 s GLN 273 Cb 0.12 -3.43 0.00 0.00 1.10 0.00 0.00 33.01 30.80 3a22 s GLN 273 CO 0.81 0.07 0.00 -2.39 -0.55 0.00 0.00 175.29 173.23 3a22 n HIS 274 N 4.23 0.00 -4.23 1.67 1.44 -0.83 -4.50 115.22 113.00 3a22 n HIS 274 Ca -0.16 0.00 -0.34 0.00 -2.01 0.00 0.00 57.72 55.22 3a22 n HIS 274 Cb 0.52 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.58 3a22 n HIS 274 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 3a22 n THR 275 N -0.02 -1.34 -0.46 0.61 -2.24 -1.26 -1.28 114.28 108.29 3a22 n THR 275 Ca 0.00 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.57 3a22 n THR 275 Cb 0.00 -1.60 0.00 0.00 -2.10 0.00 0.00 70.33 66.63 3a22 n THR 275 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 276 N -1.68 0.76 3.32 3.38 0.00 -1.25 -4.45 105.19 105.27 3a22 n GLY 276 Ca -0.08 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.60 3a22 n GLY 276 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3a22 s TYR 277 N -2.27 2.87 -0.04 1.61 2.02 -0.40 -4.48 117.35 116.66 3a22 s TYR 277 Ca 0.00 -0.86 0.04 0.00 -0.37 0.00 0.00 57.07 55.88 3a22 s TYR 277 Cb 0.00 -1.96 -0.00 0.00 -0.40 0.00 0.00 41.96 39.60 3a22 s TYR 277 CO 0.00 -0.40 -0.16 0.71 -1.57 0.00 0.00 175.55 174.13 3a22 s TYR 278 N 0.89 1.54 0.29 2.71 2.02 0.10 -1.97 117.35 122.94 3a22 s TYR 278 Ca -0.02 -0.41 -0.29 0.00 -0.37 0.00 0.00 57.07 55.97 3a22 s TYR 278 Cb -0.15 -1.04 -0.10 0.00 -0.40 0.00 0.00 41.96 40.27 3a22 s TYR 278 CO -0.00 -0.13 1.44 -0.80 -1.57 0.00 0.00 175.55 174.49 3a22 s ASN 279 N -0.00 6.59 -0.40 2.29 0.01 -1.26 -2.53 114.94 119.63 3a22 s ASN 279 Ca -0.02 2.78 0.03 0.00 -0.71 0.00 0.00 52.86 54.94 3a22 s ASN 279 Cb -0.10 -2.64 0.11 0.00 0.41 0.00 0.00 41.25 39.03 3a22 s ASN 279 CO 0.01 -0.72 0.12 -0.62 -1.51 0.00 0.00 177.10 174.38 3a22 s ASP 280 N 0.11 4.72 0.00 -1.22 2.15 -0.26 -4.54 116.67 117.62 3a22 s ASP 280 Ca 0.56 -2.37 0.19 0.00 0.43 0.00 0.00 52.55 51.37 3a22 s ASP 280 Cb -0.43 -1.65 1.16 0.00 -0.30 0.00 0.00 42.92 41.70 3a22 s ASP 280 CO 0.49 -0.36 1.67 -0.81 -0.17 0.00 0.00 175.17 176.00 3a22 n PRO 281 N 3.99 0.89 0.00 4.34 -0.04 -1.26 -2.35 135.00 140.57 3a22 n PRO 281 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 3a22 n PRO 281 Cb 0.40 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.51 3a22 n PRO 281 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 3a22 n ASP 282 N -0.84 0.00 -4.77 3.54 -0.08 -1.26 -4.75 116.55 108.39 3a22 n ASP 282 Ca 0.15 0.00 -0.37 0.00 -1.51 0.00 0.00 54.79 53.05 3a22 n ASP 282 Cb 0.07 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.53 3a22 n ASP 282 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 3a22 s MET 283 N -1.51 3.66 0.41 -0.67 -1.94 -1.26 -4.83 119.30 113.16 3a22 s MET 283 Ca 0.00 1.89 -0.26 0.00 -1.71 0.00 0.00 55.69 55.61 3a22 s MET 283 Cb 0.00 -2.41 -0.08 0.00 2.01 0.00 0.00 34.83 34.35 3a22 s MET 283 CO 0.00 -0.66 1.28 -0.51 -0.01 0.00 0.00 175.02 175.12 3a22 s LEU 284 N -3.07 4.19 0.00 -0.03 1.43 0.73 -4.89 118.68 117.05 3a22 s LEU 284 Ca 0.64 2.61 0.21 0.00 -1.03 0.00 0.00 54.13 56.57 3a22 s LEU 284 Cb -0.31 -3.94 0.32 0.00 0.03 0.00 0.00 46.19 42.28 3a22 s LEU 284 CO 0.38 -0.86 1.29 0.23 0.23 0.00 0.00 176.35 177.63 3a22 n MET 285 N 0.06 2.26 -1.63 1.70 2.81 -1.26 -2.31 117.12 118.74 3a22 n MET 285 Ca 0.04 -2.06 -0.48 0.00 -1.81 0.00 0.00 57.70 53.39 3a22 n MET 285 Cb 0.44 -1.45 -0.04 0.00 -0.71 0.00 0.00 33.22 31.45 3a22 n MET 285 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 3a22 n VAL 286 N 1.31 0.23 -0.26 2.03 0.31 -1.26 -1.33 118.33 119.36 3a22 n VAL 286 Ca 0.16 -0.06 0.00 0.00 -0.01 0.00 0.00 64.34 64.43 3a22 n VAL 286 Cb 0.56 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.26 3a22 n VAL 286 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3a22 n GLY 287 N 2.79 2.06 3.80 2.92 0.00 -1.26 -4.23 105.19 111.27 3a22 n GLY 287 Ca 0.16 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3a22 n GLY 287 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3a22 s MET 288 N -0.15 3.62 0.12 1.61 -1.94 -0.44 -4.86 119.30 117.26 3a22 s MET 288 Ca 0.00 1.30 -0.33 0.00 -1.71 0.00 0.00 55.69 54.95 3a22 s MET 288 Cb 0.00 -2.07 -0.13 0.00 2.01 0.00 0.00 34.83 34.64 3a22 s MET 288 CO 0.00 -0.57 1.70 -3.47 -0.01 0.00 0.00 175.02 172.67 3a22 n ASP 289 N -1.37 3.47 0.00 3.03 2.03 -1.26 -2.59 116.55 119.86 3a22 n ASP 289 Ca 0.09 1.04 0.00 0.00 0.52 0.00 0.00 54.79 56.44 3a22 n ASP 289 Cb 0.53 -1.46 0.00 0.00 -0.72 0.00 0.00 41.12 39.46 3a22 n ASP 289 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3a22 n GLY 290 N 3.82 1.74 3.71 0.27 0.00 -1.26 -4.37 105.19 109.10 3a22 n GLY 290 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3a22 n GLY 290 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3a22 s PHE 291 N -1.94 3.63 0.89 1.61 0.40 -1.07 -5.04 117.98 116.46 3a22 s PHE 291 Ca 0.00 1.52 -0.12 0.00 -0.60 0.00 0.00 56.93 57.73 3a22 s PHE 291 Cb 0.00 -2.99 0.13 0.00 0.51 0.00 0.00 43.02 40.67 3a22 s PHE 291 CO 0.00 0.04 1.12 0.95 0.70 0.00 0.00 175.22 178.03 3a22 s THR 292 N 0.90 2.31 0.31 0.64 -4.23 -1.26 -4.81 115.64 109.49 3a22 s THR 292 Ca 0.46 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 3a22 s THR 292 Cb -0.20 -2.80 0.28 0.00 1.34 0.00 0.00 72.50 71.11 3a22 s THR 292 CO 0.24 -0.13 1.94 0.00 -0.54 0.00 0.00 174.62 176.12 3a22 h ALA 293 N -1.45 1.50 -0.25 3.99 0.00 -1.99 -0.61 119.26 120.46 3a22 h ALA 293 Ca -0.50 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.23 3a22 h ALA 293 Cb 1.31 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3a22 h ALA 293 CO 0.60 0.40 -0.44 0.00 0.00 0.00 0.00 179.25 179.81 3a22 h ALA 294 N 1.51 0.76 -0.37 0.00 0.00 -1.99 -1.66 119.26 117.52 3a22 h ALA 294 Ca 0.35 -0.46 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 3a22 h ALA 294 Cb 0.10 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3a22 h ALA 294 CO -0.11 0.66 -0.40 1.96 0.00 0.00 0.00 179.25 181.35 3a22 h GLN 295 N 0.50 0.91 -0.85 0.00 4.20 -1.82 -1.59 115.11 116.46 3a22 h GLN 295 Ca 0.03 -0.49 0.02 0.00 0.06 0.00 0.00 58.65 58.27 3a22 h GLN 295 Cb 0.97 0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.73 3a22 h GLN 295 CO 0.09 1.14 0.56 -0.91 -0.67 0.00 0.00 178.83 179.04 3a22 h ASN 296 N 0.74 0.96 -0.11 1.46 2.35 -1.04 0.19 115.58 120.13 3a22 h ASN 296 Ca 0.06 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3a22 h ASN 296 Cb 0.99 -0.23 -0.00 0.00 0.05 0.00 0.00 38.32 39.13 3a22 h ASN 296 CO 0.10 0.68 0.05 0.03 -1.65 0.00 0.00 177.43 176.65 3a22 h ARG 297 N 1.13 0.15 -0.96 0.81 3.08 -1.10 -2.15 114.38 115.34 3a22 h ARG 297 Ca 0.32 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 60.44 3a22 h ARG 297 Cb -0.09 -0.03 -0.07 0.00 0.08 0.00 0.00 29.97 29.86 3a22 h ARG 297 CO -0.08 0.21 0.60 1.15 -1.07 0.00 0.00 179.97 180.78 3a22 h THR 298 N 0.06 1.00 -0.41 2.04 2.02 -1.12 0.76 112.91 117.26 3a22 h THR 298 Ca 0.04 -0.36 0.03 0.00 0.77 0.00 0.00 66.41 66.90 3a22 h THR 298 Cb 0.10 -0.13 -0.04 0.00 -1.74 0.00 0.00 68.15 66.35 3a22 h THR 298 CO -0.01 0.19 0.20 -0.74 0.37 0.00 0.00 175.52 175.53 3a22 h HIS 299 N 1.04 0.36 -0.43 3.16 6.17 -0.78 -1.73 115.15 122.94 3a22 h HIS 299 Ca 0.44 0.02 -0.04 0.00 0.71 0.00 0.00 60.37 61.50 3a22 h HIS 299 Cb 0.30 -0.10 -0.02 0.00 2.52 0.00 0.00 27.41 30.11 3a22 h HIS 299 CO -0.01 0.18 0.13 0.52 0.71 0.00 0.00 177.93 179.46 3a22 h MET 300 N 0.40 0.66 -0.33 5.26 2.07 -0.68 -2.51 114.93 119.81 3a22 h MET 300 Ca 0.18 -0.15 0.05 0.00 -2.07 0.00 0.00 59.70 57.71 3a22 h MET 300 Cb 0.09 -0.09 -0.05 0.00 -1.87 0.00 0.00 31.60 29.68 3a22 h MET 300 CO -0.13 0.66 0.03 -0.91 1.07 0.00 0.00 176.91 177.63 3a22 h ASN 301 N 0.55 -0.06 -0.32 1.22 2.35 -0.60 0.21 115.58 118.93 3a22 h ASN 301 Ca 0.14 0.06 -0.17 0.00 -0.55 0.00 0.00 56.30 55.78 3a22 h ASN 301 Cb 0.27 0.10 -0.00 0.00 0.05 0.00 0.00 38.32 38.74 3a22 h ASN 301 CO -0.00 0.00 -0.47 -0.07 -1.65 0.00 0.00 177.43 175.24 3a22 h LEU 302 N 0.14 0.97 -0.56 1.61 3.38 -1.33 -0.03 115.31 119.48 3a22 h LEU 302 Ca 0.16 -0.51 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 3a22 h LEU 302 Cb 0.20 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3a22 h LEU 302 CO -0.24 1.28 0.22 -0.50 0.09 0.00 0.00 178.44 179.30 3a22 h TRP 303 N 0.68 0.86 -0.63 1.13 -0.00 -1.26 -2.55 115.95 114.17 3a22 h TRP 303 Ca 0.03 -0.07 -0.04 0.00 -0.00 0.00 0.00 58.89 58.81 3a22 h TRP 303 Cb 1.07 -0.26 -0.03 0.00 -0.00 0.00 0.00 29.16 29.95 3a22 h TRP 303 CO 0.07 0.70 0.23 0.00 -0.00 0.00 0.00 178.44 179.44 3a22 h ALA 304 N 1.07 0.82 0.00 1.49 0.00 -0.39 -0.96 119.26 121.30 3a22 h ALA 304 Ca 0.19 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 3a22 h ALA 304 Cb 0.20 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3a22 h ALA 304 CO -0.01 0.46 -0.26 0.97 0.00 0.00 0.00 179.25 180.41 3a22 h ILE 305 N 0.90 1.16 0.00 0.00 6.09 -0.95 -1.85 117.51 122.86 3a22 h ILE 305 Ca 0.21 -0.91 -0.10 0.00 -1.37 0.00 0.00 64.86 62.69 3a22 h ILE 305 Cb 0.24 1.49 -0.01 0.00 0.47 0.00 0.00 36.82 39.01 3a22 h ILE 305 CO -0.01 0.26 -0.48 -1.28 -3.07 0.00 0.00 178.15 173.57 3a22 h SER 306 N 0.00 0.00 -0.20 2.19 0.87 -1.16 -0.67 113.55 114.58 3a22 h SER 306 Ca -0.00 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.50 3a22 h SER 306 Cb 0.47 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 3a22 h SER 306 CO 0.03 0.48 -0.06 0.61 -0.53 0.00 0.00 176.83 177.36 3a22 n GLY 307 N 0.43 0.54 3.71 5.77 0.00 -0.69 -4.11 105.19 110.83 3a22 n GLY 307 Ca -0.00 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.77 3a22 n GLY 307 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 s ALA 308 N -2.12 1.95 0.52 4.61 0.00 -0.43 -4.55 121.76 121.74 3a22 s ALA 308 Ca 0.00 0.88 -0.22 0.00 0.00 0.00 0.00 51.96 52.63 3a22 s ALA 308 Cb 0.00 -3.49 -0.07 0.00 0.00 0.00 0.00 23.12 19.56 3a22 s ALA 308 CO 0.00 -2.14 1.10 -2.30 0.00 0.00 0.00 175.76 172.42 3a22 n PRO 309 N -3.05 1.32 -3.68 0.00 -0.02 -1.26 -4.84 135.00 123.47 3a22 n PRO 309 Ca 0.14 0.49 -0.36 0.00 -2.02 0.00 0.00 63.50 61.74 3a22 n PRO 309 Cb 0.50 -2.25 -0.08 0.00 -0.02 0.00 0.00 33.50 31.66 3a22 n PRO 309 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3a22 s LEU 310 N -1.86 5.39 -0.45 2.45 1.43 -0.69 -4.91 118.68 120.05 3a22 s LEU 310 Ca 0.69 -3.35 -0.09 0.00 -1.03 0.00 0.00 54.13 50.35 3a22 s LEU 310 Cb -0.47 -1.87 0.10 0.00 0.03 0.00 0.00 46.19 43.99 3a22 s LEU 310 CO 0.52 -0.26 0.31 -0.76 0.23 0.00 0.00 176.35 176.39 3a22 s LEU 311 N -0.80 5.49 0.54 1.79 1.43 -1.26 -1.18 118.68 124.68 3a22 s LEU 311 Ca 0.23 -1.76 -0.22 0.00 -1.03 0.00 0.00 54.13 51.35 3a22 s LEU 311 Cb -0.13 -2.00 -0.05 0.00 0.03 0.00 0.00 46.19 44.04 3a22 s LEU 311 CO -0.09 -0.63 1.34 0.00 0.23 0.00 0.00 176.35 177.20 3a22 s ALA 312 N 1.38 2.83 0.00 4.21 0.00 0.33 -0.19 121.76 130.32 3a22 s ALA 312 Ca 0.05 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.30 3a22 s ALA 312 Cb -0.25 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.32 3a22 s ALA 312 CO 0.00 -1.31 0.37 0.41 0.00 0.00 0.00 175.76 175.24 3a22 n GLY 313 N 0.70 -0.22 3.84 0.00 0.00 -0.98 -0.56 105.19 107.97 3a22 n GLY 313 Ca 0.10 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.81 3a22 n GLY 313 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3a22 s ASN 314 N -0.11 5.36 -0.48 1.61 4.22 -1.26 -2.61 114.94 121.67 3a22 s ASN 314 Ca 0.00 1.41 -0.28 0.00 -2.14 0.00 0.00 52.86 51.85 3a22 s ASN 314 Cb 0.00 -2.27 0.01 0.00 1.28 0.00 0.00 41.25 40.26 3a22 s ASN 314 CO 0.00 -1.43 1.49 -0.62 -2.04 0.00 0.00 177.10 174.50 3a22 s ASP 315 N -4.01 6.12 0.43 3.54 -1.08 -1.26 -4.88 116.67 115.52 3a22 s ASP 315 Ca 0.58 0.62 0.20 0.00 -0.52 0.00 0.00 52.55 53.43 3a22 s ASP 315 Cb -0.13 -2.54 0.96 0.00 -1.46 0.00 0.00 42.92 39.76 3a22 s ASP 315 CO 0.54 -1.65 1.88 -0.07 0.52 0.00 0.00 175.17 176.39 3a22 h LEU 316 N 13.05 0.00 -1.30 -1.34 3.38 -1.94 -2.83 115.31 124.33 3a22 h LEU 316 Ca -0.28 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 3a22 h LEU 316 Cb 1.11 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.86 3a22 h LEU 316 CO 1.13 0.28 -0.04 0.71 0.09 0.00 0.00 178.44 180.60 3a22 h THR 317 N 0.00 0.11 -0.16 0.22 1.35 -1.90 -2.90 112.91 109.64 3a22 h THR 317 Ca -0.00 -0.66 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 3a22 h THR 317 Cb 0.62 1.59 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3a22 h THR 317 CO 0.04 0.04 0.00 0.35 -0.25 0.00 0.00 175.52 175.70 3a22 n THR 318 N -3.15 1.66 -2.46 6.82 -2.24 -1.08 -5.03 114.28 108.80 3a22 n THR 318 Ca 0.01 -1.62 -0.40 0.00 -2.27 0.00 0.00 64.05 59.76 3a22 n THR 318 Cb 0.34 0.06 -0.04 0.00 -2.10 0.00 0.00 70.33 68.59 3a22 n THR 318 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 3a22 s MET 319 N -2.09 4.62 0.59 -0.78 0.00 -1.10 -5.03 119.30 115.50 3a22 s MET 319 Ca 0.27 1.82 -0.07 0.00 0.00 0.00 0.00 55.69 57.71 3a22 s MET 319 Cb 0.21 -3.19 -0.01 0.00 0.00 0.00 0.00 34.83 31.84 3a22 s MET 319 CO 0.07 0.17 0.92 0.95 0.00 0.00 0.00 175.02 177.13 3a22 s THR 320 N -1.02 4.10 0.37 10.11 -4.23 -1.26 -4.95 115.64 118.76 3a22 s THR 320 Ca 0.45 0.26 0.08 0.00 -1.18 0.00 0.00 61.69 61.31 3a22 s THR 320 Cb -0.32 -3.62 0.16 0.00 1.34 0.00 0.00 72.50 70.06 3a22 s THR 320 CO 0.41 -0.69 1.91 -1.28 -0.54 0.00 0.00 174.62 174.42 3a22 h SER 321 N -0.18 0.30 -0.19 3.99 0.87 -1.99 -1.87 113.55 114.49 3a22 h SER 321 Ca -0.45 -0.06 0.03 0.00 -1.23 0.00 0.00 61.79 60.07 3a22 h SER 321 Cb 1.23 -0.08 -0.03 0.00 -0.44 0.00 0.00 62.40 63.09 3a22 h SER 321 CO 0.62 0.43 0.02 -0.08 -0.53 0.00 0.00 176.83 177.28 3a22 h GLU 322 N 0.30 0.08 -0.57 2.24 4.81 -2.00 -1.27 114.58 118.17 3a22 h GLU 322 Ca 0.06 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.22 3a22 h GLU 322 Cb 0.36 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.69 3a22 h GLU 322 CO 0.02 0.06 0.11 1.15 -0.73 0.00 0.00 179.01 179.61 3a22 h THR 323 N 0.09 1.25 -0.92 0.32 2.02 -1.89 -2.76 112.91 111.02 3a22 h THR 323 Ca 0.09 -0.95 0.01 0.00 0.77 0.00 0.00 66.41 66.32 3a22 h THR 323 Cb 0.09 0.76 -0.05 0.00 -1.74 0.00 0.00 68.15 67.22 3a22 h THR 323 CO -0.13 0.35 0.61 0.00 0.37 0.00 0.00 175.52 176.72 3a22 h ALA 324 N 1.01 1.16 -0.23 6.16 0.00 -1.16 -1.59 119.26 124.62 3a22 h ALA 324 Ca 0.18 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3a22 h ALA 324 Cb 0.40 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3a22 h ALA 324 CO 0.01 0.57 0.03 0.78 0.00 0.00 0.00 179.25 180.64 3a22 h GLY 325 N 1.25 0.35 0.67 0.00 0.00 -0.97 -0.52 103.07 103.85 3a22 h GLY 325 Ca 0.34 -0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.43 3a22 h GLY 325 CO -0.07 0.16 -0.21 -2.22 0.00 0.00 0.00 176.54 174.20 3a22 h ILE 326 N 0.32 1.40 -0.59 2.60 2.04 -1.06 -2.09 117.51 120.13 3a22 h ILE 326 Ca 0.08 -1.53 0.10 0.00 1.00 0.00 0.00 64.86 64.51 3a22 h ILE 326 Cb 0.17 2.18 -0.04 0.00 -0.74 0.00 0.00 36.82 38.39 3a22 h ILE 326 CO 0.00 0.44 0.40 -0.07 0.00 0.00 0.00 178.15 178.92 3a22 h LEU 327 N -0.16 0.33 -1.92 1.44 3.38 -1.10 -3.26 115.31 114.03 3a22 h LEU 327 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3a22 h LEU 327 Cb 0.81 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.50 3a22 h LEU 327 CO 0.05 0.20 0.00 0.29 0.09 0.00 0.00 178.44 179.06 3a22 n LYS 328 N -4.47 2.30 -1.52 1.13 5.02 -0.22 -4.94 118.16 115.45 3a22 n LYS 328 Ca 0.10 -1.91 -0.48 0.00 -2.02 0.00 0.00 58.31 54.00 3a22 n LYS 328 Cb 0.39 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 3a22 n LYS 328 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 3a22 n ASN 329 N 1.24 2.67 0.22 4.39 2.85 -0.81 -4.82 115.26 120.99 3a22 n ASN 329 Ca 0.16 0.38 0.08 0.00 -0.11 0.00 0.00 54.58 55.09 3a22 n ASN 329 Cb 0.57 -1.38 0.50 0.00 1.24 0.00 0.00 39.78 40.70 3a22 n ASN 329 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3a22 h PRO 330 N 13.12 0.00 -0.11 1.20 0.13 -1.92 -1.54 132.00 142.88 3a22 h PRO 330 Ca -0.34 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.64 3a22 h PRO 330 Cb 1.29 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.42 3a22 h PRO 330 CO 0.99 0.26 -0.53 0.93 -0.23 0.00 0.00 178.00 179.42 3a22 h GLU 331 N 0.00 0.55 -0.50 0.86 5.08 -1.89 -0.44 114.58 118.24 3a22 h GLU 331 Ca -0.00 -0.45 -0.06 0.00 -1.00 0.00 0.00 59.36 57.85 3a22 h GLU 331 Cb 0.62 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.94 3a22 h GLU 331 CO 0.03 1.07 0.08 0.28 -1.00 0.00 0.00 179.01 179.48 3a22 h VAL 332 N 0.16 1.25 -0.90 3.13 2.07 -1.83 -2.20 116.25 117.93 3a22 h VAL 332 Ca -0.04 -0.93 0.02 0.00 0.82 0.00 0.00 66.70 66.58 3a22 h VAL 332 Cb 1.17 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3a22 h VAL 332 CO 0.11 0.33 0.59 0.40 0.02 0.00 0.00 177.57 179.02 3a22 h ILE 333 N 0.70 1.20 -0.17 4.57 2.04 -1.27 -1.81 117.51 122.77 3a22 h ILE 333 Ca 0.15 -0.41 -0.06 0.00 1.00 0.00 0.00 64.86 65.54 3a22 h ILE 333 Cb 0.39 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.37 3a22 h ILE 333 CO 0.01 0.22 -0.18 0.00 0.00 0.00 0.00 178.15 178.20 3a22 h ALA 334 N 1.35 1.39 -0.14 1.87 0.00 -0.77 0.33 119.26 123.28 3a22 h ALA 334 Ca 0.34 -0.26 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3a22 h ALA 334 Cb -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 3a22 h ALA 334 CO -0.09 0.42 -0.02 0.28 0.00 0.00 0.00 179.25 179.85 3a22 h VAL 335 N 0.26 1.27 -0.61 0.00 2.07 -1.01 -2.71 116.25 115.52 3a22 h VAL 335 Ca 0.05 -0.91 0.07 0.00 0.82 0.00 0.00 66.70 66.73 3a22 h VAL 335 Cb 0.48 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 31.79 3a22 h VAL 335 CO 0.03 0.26 0.30 -0.78 0.02 0.00 0.00 177.57 177.41 3a22 h ASP 336 N -0.03 0.40 -0.40 0.57 3.58 -0.70 -2.74 116.42 117.10 3a22 h ASP 336 Ca 0.04 0.05 0.00 0.00 0.42 0.00 0.00 57.03 57.53 3a22 h ASP 336 Cb 0.41 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.44 3a22 h ASP 336 CO 0.01 0.25 0.00 0.00 -2.88 0.00 0.00 179.24 176.63 3a22 n GLN 337 N -4.88 3.14 -1.63 0.28 1.13 0.05 -4.42 117.38 111.05 3a22 n GLN 337 Ca 0.08 -1.96 -0.45 0.00 -1.94 0.00 0.00 57.00 52.73 3a22 n GLN 337 Cb 0.21 -1.83 -0.02 0.00 0.11 0.00 0.00 30.24 28.71 3a22 n GLN 337 CO 0.00 0.00 0.00 -3.47 -1.44 0.00 0.00 177.06 172.15 3a22 n ASP 338 N 0.54 1.96 0.30 1.08 2.03 -1.02 -4.83 116.55 116.61 3a22 n ASP 338 Ca 0.17 1.17 0.17 0.00 0.52 0.00 0.00 54.79 56.83 3a22 n ASP 338 Cb 0.74 -1.35 0.99 0.00 -0.72 0.00 0.00 41.12 40.79 3a22 n ASP 338 CO 0.00 0.00 0.00 0.28 -1.92 0.00 0.00 177.20 175.56 3a22 h SER 339 N 2.98 0.00 1.85 1.67 0.02 -1.87 -2.32 113.55 115.88 3a22 h SER 339 Ca -0.43 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.52 3a22 h SER 339 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 3a22 h SER 339 CO 0.67 0.00 -0.14 -0.09 -1.14 0.00 0.00 176.83 176.13 3a22 h ARG 340 N 0.00 0.00 -0.11 3.45 2.43 -1.88 -1.87 114.38 116.40 3a22 h ARG 340 Ca 0.01 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.13 3a22 h ARG 340 Cb 0.07 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3a22 h ARG 340 CO -0.00 0.00 -0.04 0.41 -1.51 0.00 0.00 179.97 178.83 3a22 n GLY 341 N 1.11 0.53 3.85 2.80 0.00 -0.87 -4.59 105.19 108.02 3a22 n GLY 341 Ca 0.03 -0.25 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3a22 n GLY 341 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 342 N -0.52 3.95 0.05 0.99 1.43 -1.26 -4.09 118.68 119.23 3a22 s LEU 342 Ca 0.00 1.28 -0.21 0.00 -1.03 0.00 0.00 54.13 54.17 3a22 s LEU 342 Cb 0.00 -4.12 -0.06 0.00 0.03 0.00 0.00 46.19 42.04 3a22 s LEU 342 CO 0.00 -0.30 0.64 -1.58 0.23 0.00 0.00 176.35 175.34 3a22 s GLN 343 N -3.33 4.34 0.77 1.70 0.74 -1.26 -4.65 119.66 117.97 3a22 s GLN 343 Ca 0.54 0.85 -0.11 0.00 0.05 0.00 0.00 55.36 56.68 3a22 s GLN 343 Cb -0.10 -3.30 0.06 0.00 1.10 0.00 0.00 33.01 30.77 3a22 s GLN 343 CO 0.22 0.47 1.11 0.20 -0.55 0.00 0.00 175.29 176.74 3a22 s GLY 344 N -0.60 1.78 0.05 2.59 0.00 -0.26 -4.78 107.32 106.10 3a22 s GLY 344 Ca 0.32 0.38 -0.02 0.00 0.00 0.00 0.00 44.72 45.40 3a22 s GLY 344 CO 0.20 0.74 0.01 -1.34 0.00 0.00 0.00 173.10 172.71 3a22 s VAL 345 N -2.74 0.18 0.14 1.40 -7.23 -0.16 -4.81 120.40 107.18 3a22 s VAL 345 Ca 0.63 -1.50 -0.31 0.00 -1.81 0.00 0.00 61.98 59.00 3a22 s VAL 345 Cb -0.19 -1.21 -0.08 0.00 0.56 0.00 0.00 36.38 35.46 3a22 s VAL 345 CO 0.53 -0.83 1.32 -0.75 -0.31 0.00 0.00 175.10 175.07 3a22 s LYS 346 N -3.33 4.37 -0.00 4.82 2.20 -1.26 -0.60 119.74 125.95 3a22 s LYS 346 Ca 0.01 2.01 0.04 0.00 -0.36 0.00 0.00 55.97 57.68 3a22 s LYS 346 Cb 0.03 -3.24 -0.05 0.00 -1.51 0.00 0.00 37.83 33.06 3a22 s LYS 346 CO -0.08 -0.32 0.13 1.33 -0.36 0.00 0.00 175.35 176.05 3a22 n VAL 347 N 3.35 0.00 -3.57 4.02 0.24 0.49 -4.39 118.33 118.47 3a22 n VAL 347 Ca 0.09 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 61.98 3a22 n VAL 347 Cb 0.43 0.70 -0.07 0.00 -1.47 0.00 0.00 33.84 33.44 3a22 n VAL 347 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3a22 s ALA 348 N -1.83 -1.73 -0.45 2.33 0.00 -1.07 -4.38 121.76 114.63 3a22 s ALA 348 Ca -0.00 1.56 0.07 0.00 0.00 0.00 0.00 51.96 53.59 3a22 s ALA 348 Cb 0.03 -0.47 0.29 0.00 0.00 0.00 0.00 23.12 22.97 3a22 s ALA 348 CO 0.16 -0.35 0.95 -1.91 0.00 0.00 0.00 175.76 174.61 3a22 n GLU 349 N 1.65 0.91 0.00 0.00 2.13 -1.26 -1.54 120.64 122.52 3a22 n GLU 349 Ca -0.17 -2.15 0.03 0.00 0.66 0.00 0.00 57.16 55.53 3a22 n GLU 349 Cb 0.56 -1.27 0.39 0.00 0.27 0.00 0.00 31.44 31.40 3a22 n GLU 349 CO 0.00 0.00 0.00 -0.44 -0.41 0.00 0.00 177.13 176.28 3a22 h ASP 350 N 3.41 0.47 -4.07 4.31 3.32 -1.97 -3.40 116.42 118.49 3a22 h ASP 350 Ca -0.08 -0.03 -0.69 0.00 0.02 0.00 0.00 57.03 56.25 3a22 h ASP 350 Cb 1.04 -0.12 -0.28 0.00 0.22 0.00 0.00 39.33 40.19 3a22 h ASP 350 CO 0.27 0.39 -0.84 -0.89 -1.72 0.00 0.00 179.24 176.45 3a22 s THR 351 N -5.36 2.47 0.15 0.35 2.01 -1.26 -4.96 115.64 109.04 3a22 s THR 351 Ca -0.08 -0.93 -0.34 0.00 0.31 0.00 0.00 61.69 60.65 3a22 s THR 351 Cb 0.17 -1.93 -0.15 0.00 0.01 0.00 0.00 72.50 70.60 3a22 s THR 351 CO 0.74 0.57 1.46 0.41 -0.69 0.00 0.00 174.62 177.11 3a22 n THR 352 N 2.72 0.19 -0.65 -0.82 -1.04 -1.26 -1.57 114.28 111.85 3a22 n THR 352 Ca -0.17 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.79 3a22 n THR 352 Cb 0.52 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.74 3a22 n THR 352 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3a22 n GLY 353 N 2.90 1.43 3.21 3.41 0.00 -1.26 -4.87 105.19 110.01 3a22 n GLY 353 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 3a22 n GLY 353 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 354 N 0.00 4.42 0.04 0.99 1.43 -0.61 -0.27 118.68 124.68 3a22 s LEU 354 Ca 0.00 -1.39 0.07 0.00 -1.03 0.00 0.00 54.13 51.78 3a22 s LEU 354 Cb 0.00 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.38 3a22 s LEU 354 CO 0.00 -0.36 -0.20 -1.10 0.23 0.00 0.00 176.35 174.92 3a22 s GLN 355 N 1.30 1.35 -0.11 1.70 -0.21 -0.23 -4.23 119.66 119.23 3a22 s GLN 355 Ca -0.01 -0.91 0.03 0.00 0.02 0.00 0.00 55.36 54.49 3a22 s GLN 355 Cb -0.21 -1.45 -0.00 0.00 1.00 0.00 0.00 33.01 32.35 3a22 s GLN 355 CO -0.00 0.37 -0.20 0.00 -2.12 0.00 0.00 175.29 173.34 3a22 s ALA 356 N -0.79 2.32 -0.11 6.09 0.00 -0.59 -0.24 121.76 128.44 3a22 s ALA 356 Ca 0.07 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.09 3a22 s ALA 356 Cb -0.09 -0.94 -0.02 0.00 0.00 0.00 0.00 23.12 22.08 3a22 s ALA 356 CO 0.02 0.28 -0.13 0.71 0.00 0.00 0.00 175.76 176.64 3a22 s TYR 357 N 0.33 2.79 0.04 0.00 2.02 0.24 -0.38 117.35 122.40 3a22 s TYR 357 Ca -0.16 -0.48 0.09 0.00 -0.37 0.00 0.00 57.07 56.15 3a22 s TYR 357 Cb -0.17 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.57 3a22 s TYR 357 CO 0.08 -0.08 -0.25 0.20 -1.57 0.00 0.00 175.55 173.93 3a22 s GLY 358 N 0.02 1.34 -0.08 0.71 0.00 0.24 -1.24 107.32 108.31 3a22 s GLY 358 Ca -0.04 -1.21 0.03 0.00 0.00 0.00 0.00 44.72 43.49 3a22 s GLY 358 CO 0.04 -1.09 -0.15 1.25 0.00 0.00 0.00 173.10 173.15 3a22 s LYS 359 N -1.14 2.02 -0.19 2.90 2.20 -0.14 -0.99 119.74 124.39 3a22 s LYS 359 Ca 0.11 -0.52 -0.29 0.00 -0.36 0.00 0.00 55.97 54.91 3a22 s LYS 359 Cb -0.10 -1.63 -0.01 0.00 -1.51 0.00 0.00 37.83 34.59 3a22 s LYS 359 CO 0.02 0.05 1.20 0.08 -0.36 0.00 0.00 175.35 176.34 3a22 s VAL 360 N 0.62 4.39 0.48 4.02 1.01 -1.26 -1.26 120.40 128.39 3a22 s VAL 360 Ca -0.15 1.67 0.05 0.00 0.00 0.00 0.00 61.98 63.56 3a22 s VAL 360 Cb -0.16 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.14 3a22 s VAL 360 CO 0.05 -0.17 0.66 -0.76 0.00 0.00 0.00 175.10 174.87 3a22 s LEU 361 N 3.46 3.50 0.84 3.92 1.43 -0.66 -4.66 118.68 126.51 3a22 s LEU 361 Ca 0.52 -0.28 -0.12 0.00 -1.03 0.00 0.00 54.13 53.22 3a22 s LEU 361 Cb -0.19 -2.71 0.10 0.00 0.03 0.00 0.00 46.19 43.42 3a22 s LEU 361 CO 0.13 -0.93 1.17 -0.94 0.23 0.00 0.00 176.35 176.01 3a22 s SER 362 N -4.39 3.47 0.00 2.29 1.04 -1.26 -4.74 113.70 110.11 3a22 s SER 362 Ca 0.56 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.24 3a22 s SER 362 Cb -0.10 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.45 3a22 s SER 362 CO 0.35 -2.74 0.00 0.61 0.98 0.00 0.00 173.24 172.44 3a22 n GLY 363 N 0.23 -1.62 3.24 7.32 0.00 -1.26 -4.70 105.19 108.40 3a22 n GLY 363 Ca 0.12 -1.36 -0.32 0.00 0.00 0.00 0.00 46.02 44.46 3a22 n GLY 363 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a22 s THR 364 N 0.00 2.19 -0.81 2.61 2.01 -1.26 -4.69 115.64 115.69 3a22 s THR 364 Ca 0.00 -0.97 0.00 0.00 0.31 0.00 0.00 61.69 61.03 3a22 s THR 364 Cb 0.00 -1.85 0.00 0.00 0.01 0.00 0.00 72.50 70.66 3a22 s THR 364 CO 0.00 0.55 0.00 0.61 -0.69 0.00 0.00 174.62 175.09 3a22 n GLY 365 N 3.55 0.21 3.25 4.40 0.00 -1.26 -4.54 105.19 110.80 3a22 n GLY 365 Ca -0.19 -0.53 -0.32 0.00 0.00 0.00 0.00 46.02 44.98 3a22 n GLY 365 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3a22 s ASN 366 N -2.65 3.27 0.07 1.61 0.01 -1.26 -1.55 114.94 114.43 3a22 s ASN 366 Ca 0.00 -0.51 0.02 0.00 -0.71 0.00 0.00 52.86 51.66 3a22 s ASN 366 Cb 0.00 -1.41 -0.03 0.00 0.41 0.00 0.00 41.25 40.22 3a22 s ASN 366 CO 0.00 0.17 -0.06 -0.13 -1.51 0.00 0.00 177.10 175.56 3a22 s ARG 367 N 0.30 0.68 0.10 -0.60 1.81 -0.00 -1.66 118.95 119.57 3a22 s ARG 367 Ca -0.16 -1.08 0.06 0.00 -1.72 0.00 0.00 55.73 52.83 3a22 s ARG 367 Cb -0.17 -0.18 -0.04 0.00 -0.45 0.00 0.00 34.95 34.11 3a22 s ARG 367 CO 0.08 -0.00 -0.07 0.00 -0.68 0.00 0.00 175.30 174.63 3a22 s ALA 368 N -2.73 3.06 -0.03 2.13 0.00 -0.39 -1.03 121.76 122.77 3a22 s ALA 368 Ca 0.02 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.79 3a22 s ALA 368 Cb -0.01 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.14 3a22 s ALA 368 CO -0.03 0.66 -0.02 0.08 0.00 0.00 0.00 175.76 176.45 3a22 s VAL 369 N -1.24 0.31 -0.16 0.00 1.01 0.78 -0.97 120.40 120.13 3a22 s VAL 369 Ca 0.23 -0.03 -0.01 0.00 0.00 0.00 0.00 61.98 62.16 3a22 s VAL 369 Cb -0.11 -0.35 -0.01 0.00 0.00 0.00 0.00 36.38 35.91 3a22 s VAL 369 CO 0.15 0.15 -0.11 -0.69 0.00 0.00 0.00 175.10 174.60 3a22 s VAL 370 N 0.71 3.00 -0.27 2.92 1.01 -0.37 0.24 120.40 127.64 3a22 s VAL 370 Ca -0.08 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.12 3a22 s VAL 370 Cb -0.11 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 33.93 3a22 s VAL 370 CO -0.01 0.50 0.26 -0.76 0.00 0.00 0.00 175.10 175.09 3a22 s LEU 371 N 0.82 4.04 -0.11 3.92 1.43 0.07 -0.59 118.68 128.26 3a22 s LEU 371 Ca -0.04 0.12 0.03 0.00 -1.03 0.00 0.00 54.13 53.21 3a22 s LEU 371 Cb -0.15 -2.24 0.01 0.00 0.03 0.00 0.00 46.19 43.84 3a22 s LEU 371 CO 0.01 -0.09 -0.19 -0.22 0.23 0.00 0.00 176.35 176.09 3a22 s LEU 372 N 1.80 1.92 -0.49 1.79 2.96 0.67 -1.19 118.68 126.13 3a22 s LEU 372 Ca 0.10 -0.49 -0.06 0.00 -0.22 0.00 0.00 54.13 53.46 3a22 s LEU 372 Cb -0.16 -1.24 0.13 0.00 0.50 0.00 0.00 46.19 45.42 3a22 s LEU 372 CO 0.10 0.08 0.33 0.21 -1.32 0.00 0.00 176.35 175.74 3a22 s ASN 373 N 0.71 5.50 0.00 3.68 3.84 -0.65 -1.07 114.94 126.96 3a22 s ASN 373 Ca -0.11 -2.15 0.19 0.00 0.21 0.00 0.00 52.86 50.99 3a22 s ASN 373 Cb -0.16 -1.93 0.75 0.00 -0.55 0.00 0.00 41.25 39.36 3a22 s ASN 373 CO 0.02 -0.58 1.53 0.54 -2.79 0.00 0.00 177.10 175.82 3a22 n ARG 374 N 4.51 1.57 -2.49 0.43 1.74 0.63 -0.37 116.66 122.67 3a22 n ARG 374 Ca -0.02 -0.86 -0.25 0.00 -0.77 0.00 0.00 57.85 55.95 3a22 n ARG 374 Cb 0.41 -1.35 0.12 0.00 -1.02 0.00 0.00 32.46 30.62 3a22 n ARG 374 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3a22 s THR 375 N -1.81 2.09 -1.71 0.55 -4.23 -1.26 -4.79 115.64 104.48 3a22 s THR 375 Ca 0.29 -0.51 0.17 0.00 -1.18 0.00 0.00 61.69 60.47 3a22 s THR 375 Cb 0.15 -2.58 0.56 0.00 1.34 0.00 0.00 72.50 71.97 3a22 s THR 375 CO 0.23 0.00 1.46 -1.54 -0.54 0.00 0.00 174.62 174.23 3a22 n SER 376 N -2.99 3.51 -4.02 3.99 3.41 -1.26 -3.00 113.62 113.26 3a22 n SER 376 Ca 0.15 -2.14 -0.12 0.00 -0.26 0.00 0.00 58.87 56.51 3a22 n SER 376 Cb 0.60 -0.45 -0.12 0.00 -0.26 0.00 0.00 64.21 63.99 3a22 n SER 376 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a22 s ALA 377 N -1.42 0.42 0.29 7.33 0.00 -1.26 -4.83 121.76 122.29 3a22 s ALA 377 Ca 0.41 -0.62 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 3a22 s ALA 377 Cb 0.23 0.05 -0.11 0.00 0.00 0.00 0.00 23.12 23.29 3a22 s ALA 377 CO 0.25 -0.04 1.58 0.00 0.00 0.00 0.00 175.76 177.55 3a22 s ALA 378 N -1.19 3.73 0.01 0.00 0.00 -1.26 -4.00 121.76 119.05 3a22 s ALA 378 Ca -0.10 1.56 -0.13 0.00 0.00 0.00 0.00 51.96 53.29 3a22 s ALA 378 Cb -0.09 -3.64 0.02 0.00 0.00 0.00 0.00 23.12 19.41 3a22 s ALA 378 CO -0.00 -0.97 0.26 -1.01 0.00 0.00 0.00 175.76 174.04 3a22 s HIS 379 N -0.05 -0.09 0.34 0.00 4.02 -0.82 -4.90 115.29 113.78 3a22 s HIS 379 Ca 0.63 0.06 -0.28 0.00 1.02 0.00 0.00 55.06 56.48 3a22 s HIS 379 Cb -0.47 0.05 -0.10 0.00 -1.02 0.00 0.00 32.58 31.04 3a22 s HIS 379 CO 0.48 -0.41 1.24 -0.51 1.02 0.00 0.00 174.74 176.56 3a22 s ASP 380 N -1.62 6.82 -0.03 1.40 1.01 -1.26 -1.16 116.67 121.82 3a22 s ASP 380 Ca -0.11 2.54 0.03 0.00 0.71 0.00 0.00 52.55 55.73 3a22 s ASP 380 Cb -0.04 -2.64 -0.00 0.00 1.01 0.00 0.00 42.92 41.25 3a22 s ASP 380 CO 0.01 -0.49 -0.13 -0.63 0.21 0.00 0.00 175.17 174.14 3a22 s ILE 381 N -1.20 1.09 -0.04 0.77 1.01 0.02 -4.93 121.20 117.92 3a22 s ILE 381 Ca 0.50 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.64 3a22 s ILE 381 Cb -0.36 -0.94 -0.03 0.00 0.01 0.00 0.00 42.46 41.14 3a22 s ILE 381 CO 0.48 0.32 -0.11 -0.89 0.00 0.00 0.00 174.94 174.74 3a22 s THR 382 N 0.05 3.33 -0.06 2.92 2.01 -1.26 -1.79 115.64 120.84 3a22 s THR 382 Ca -0.02 -0.68 0.05 0.00 0.31 0.00 0.00 61.69 61.36 3a22 s THR 382 Cb -0.09 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 70.06 3a22 s THR 382 CO 0.01 0.56 -0.23 0.54 -0.69 0.00 0.00 174.62 174.81 3a22 s VAL 383 N -0.80 2.28 -0.12 3.82 0.11 -0.45 -4.77 120.40 120.47 3a22 s VAL 383 Ca 0.13 -0.98 -0.06 0.00 -2.93 0.00 0.00 61.98 58.14 3a22 s VAL 383 Cb -0.11 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.85 3a22 s VAL 383 CO 0.02 0.57 0.09 -0.13 -3.33 0.00 0.00 175.10 172.31 3a22 s ARG 384 N -0.18 3.44 0.28 1.54 0.52 -1.26 -1.59 118.95 121.70 3a22 s ARG 384 Ca -0.03 -0.25 0.02 0.00 -0.52 0.00 0.00 55.73 54.96 3a22 s ARG 384 Cb -0.14 -3.09 0.62 0.00 0.52 0.00 0.00 34.95 32.87 3a22 s ARG 384 CO 0.04 0.65 1.79 -1.49 0.02 0.00 0.00 175.30 176.30 3a22 h TRP 385 N 5.41 1.00 -0.81 -0.53 -0.00 -1.17 -2.00 115.95 117.85 3a22 h TRP 385 Ca -0.50 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.43 3a22 h TRP 385 Cb 1.20 -0.30 -0.04 0.00 -0.00 0.00 0.00 29.16 30.02 3a22 h TRP 385 CO 0.68 0.28 0.54 0.66 -0.00 0.00 0.00 178.44 180.60 3a22 h SER 386 N 0.79 0.93 0.37 -3.49 4.64 -1.78 -1.06 113.55 113.96 3a22 h SER 386 Ca 0.52 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.78 3a22 h SER 386 Cb 0.70 -0.23 -0.00 0.00 -0.31 0.00 0.00 62.40 62.56 3a22 h SER 386 CO -0.34 0.68 -0.16 0.44 -0.87 0.00 0.00 176.83 176.58 3a22 h ASP 387 N 1.10 0.00 0.67 4.97 3.32 -1.69 -2.21 116.42 122.58 3a22 h ASP 387 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 3a22 h ASP 387 Cb -0.13 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3a22 h ASP 387 CO -0.07 0.16 -0.11 0.18 -1.72 0.00 0.00 179.24 177.68 3a22 n LEU 388 N -3.76 0.20 0.00 1.55 4.77 -0.46 -1.51 117.00 117.78 3a22 n LEU 388 Ca -0.02 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3a22 n LEU 388 Cb 0.27 -0.33 0.00 0.00 -2.33 0.00 0.00 43.42 41.02 3a22 n LEU 388 CO 0.32 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.03 3a22 n GLY 389 N 1.40 0.59 3.71 -0.72 0.00 -0.83 -4.89 105.19 104.45 3a22 n GLY 389 Ca 0.10 -0.81 -0.28 0.00 0.00 0.00 0.00 46.02 45.04 3a22 n GLY 389 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 390 N 0.00 3.51 0.90 0.99 1.43 -0.83 -1.60 118.68 123.07 3a22 s LEU 390 Ca 0.00 -0.24 -0.12 0.00 -1.03 0.00 0.00 54.13 52.74 3a22 s LEU 390 Cb 0.00 -2.18 0.13 0.00 0.03 0.00 0.00 46.19 44.17 3a22 s LEU 390 CO 0.00 0.12 1.13 0.42 0.23 0.00 0.00 176.35 178.25 3a22 s THR 391 N -1.58 2.11 -1.48 5.49 -4.23 0.29 -3.75 115.64 112.48 3a22 s THR 391 Ca 0.28 0.03 -0.13 0.00 -1.18 0.00 0.00 61.69 60.69 3a22 s THR 391 Cb -0.10 -2.78 -0.01 0.00 1.34 0.00 0.00 72.50 70.95 3a22 s THR 391 CO 0.20 -0.05 2.44 0.59 -0.54 0.00 0.00 174.62 177.26 3a22 n ASN 392 N -3.73 5.29 -4.32 3.99 3.02 -1.26 -4.66 115.26 113.58 3a22 n ASN 392 Ca 0.07 -2.75 -0.19 0.00 -0.03 0.00 0.00 54.58 51.68 3a22 n ASN 392 Cb 0.59 -1.60 -0.10 0.00 -0.61 0.00 0.00 39.78 38.05 3a22 n ASN 392 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a22 s ALA 393 N 2.96 1.90 0.32 5.41 0.00 -1.18 -4.81 121.76 126.35 3a22 s ALA 393 Ca 0.54 -1.55 -0.29 0.00 0.00 0.00 0.00 51.96 50.66 3a22 s ALA 393 Cb 0.15 -0.10 -0.12 0.00 0.00 0.00 0.00 23.12 23.05 3a22 s ALA 393 CO -0.07 0.10 1.45 0.45 0.00 0.00 0.00 175.76 177.69 3a22 n SER 394 N -0.06 3.37 -3.89 0.00 2.88 -1.26 -4.34 113.62 110.31 3a22 n SER 394 Ca -0.11 1.19 -0.09 0.00 -1.33 0.00 0.00 58.87 58.53 3a22 n SER 394 Cb 0.59 -1.55 -0.08 0.00 -0.75 0.00 0.00 64.21 62.42 3a22 n SER 394 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a22 s ALA 395 N -0.63 -0.15 -0.15 -1.46 0.00 0.15 -4.15 121.76 115.37 3a22 s ALA 395 Ca 0.59 -0.57 -0.06 0.00 0.00 0.00 0.00 51.96 51.92 3a22 s ALA 395 Cb -0.53 0.35 -0.04 0.00 0.00 0.00 0.00 23.12 22.90 3a22 s ALA 395 CO 0.57 -0.41 0.06 0.99 0.00 0.00 0.00 175.76 176.97 3a22 s THR 396 N -3.22 4.77 -0.16 0.00 2.01 -0.32 -1.73 115.64 116.99 3a22 s THR 396 Ca 0.00 -0.05 -0.07 0.00 0.31 0.00 0.00 61.69 61.88 3a22 s THR 396 Cb 0.02 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.38 3a22 s THR 396 CO -0.07 0.52 0.09 -0.69 -0.69 0.00 0.00 174.62 173.77 3a22 s VAL 397 N -0.11 5.04 -0.05 3.82 1.01 -0.24 -0.89 120.40 128.98 3a22 s VAL 397 Ca 0.07 0.05 0.03 0.00 0.00 0.00 0.00 61.98 62.13 3a22 s VAL 397 Cb -0.12 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3a22 s VAL 397 CO 0.01 0.51 -0.15 -0.60 0.00 0.00 0.00 175.10 174.88 3a22 s ARG 398 N -0.11 1.67 -0.28 2.72 3.52 0.06 -0.37 118.95 126.16 3a22 s ARG 398 Ca 0.08 -0.51 -0.16 0.00 -0.13 0.00 0.00 55.73 55.00 3a22 s ARG 398 Cb -0.12 -1.43 -0.03 0.00 -1.56 0.00 0.00 34.95 31.81 3a22 s ARG 398 CO 0.01 0.16 0.44 0.34 -0.81 0.00 0.00 175.30 175.44 3a22 s ASP 399 N 0.25 6.32 0.15 -2.12 -1.08 -0.26 -1.15 116.67 118.78 3a22 s ASP 399 Ca -0.07 0.30 0.26 0.00 -0.52 0.00 0.00 52.55 52.51 3a22 s ASP 399 Cb -0.12 -2.24 0.77 0.00 -1.46 0.00 0.00 42.92 39.86 3a22 s ASP 399 CO 0.03 -0.27 1.69 0.18 0.52 0.00 0.00 175.17 177.32 3a22 n LEU 400 N 5.46 0.67 -0.02 -1.34 4.77 -0.40 -0.86 117.00 125.28 3a22 n LEU 400 Ca -0.06 0.47 -0.17 0.00 -0.03 0.00 0.00 56.01 56.22 3a22 n LEU 400 Cb 0.50 -0.31 -0.14 0.00 -2.33 0.00 0.00 43.42 41.14 3a22 n LEU 400 CO 0.39 -0.12 -0.81 0.79 -1.33 0.00 0.00 177.39 176.31 3a22 n TRP 401 N -2.10 1.00 0.39 -1.77 7.02 -1.26 -4.16 117.44 116.56 3a22 n TRP 401 Ca 0.05 0.25 0.14 0.00 -1.02 0.00 0.00 57.50 56.92 3a22 n TRP 401 Cb 0.42 -1.14 0.48 0.00 -2.42 0.00 0.00 31.31 28.65 3a22 n TRP 401 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3a22 h ALA 402 N 0.35 1.00 -6.17 6.99 0.00 -1.92 -3.47 119.26 116.04 3a22 h ALA 402 Ca -0.41 0.00 -0.43 0.00 0.00 0.00 0.00 54.91 54.07 3a22 h ALA 402 Cb 2.03 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.86 3a22 h ALA 402 CO 0.06 0.00 -0.87 0.54 0.00 0.00 0.00 179.25 178.98 3a22 n ARG 403 N -2.61 -3.53 -3.72 0.00 5.12 -0.04 -4.99 116.66 106.89 3a22 n ARG 403 Ca 0.03 0.55 -0.12 0.00 -1.93 0.00 0.00 57.85 56.38 3a22 n ARG 403 Cb 0.34 -4.83 -0.12 0.00 -1.16 0.00 0.00 32.46 26.68 3a22 n ARG 403 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 3a22 s GLN 404 N -6.01 0.31 0.06 5.56 0.74 -1.03 -5.01 119.66 114.27 3a22 s GLN 404 Ca 0.14 0.63 -0.31 0.00 0.05 0.00 0.00 55.36 55.88 3a22 s GLN 404 Cb -0.04 -0.05 -0.07 0.00 1.10 0.00 0.00 33.01 33.95 3a22 s GLN 404 CO 0.84 -0.15 1.47 -0.80 -0.55 0.00 0.00 175.29 176.10 3a22 s ASN 405 N 1.20 6.77 -0.08 6.67 0.01 -1.26 -1.10 114.94 127.15 3a22 s ASN 405 Ca -0.08 2.29 0.13 0.00 -0.71 0.00 0.00 52.86 54.49 3a22 s ASN 405 Cb -0.09 -2.57 0.42 0.00 0.41 0.00 0.00 41.25 39.42 3a22 s ASN 405 CO -0.09 -0.75 1.34 1.33 -1.51 0.00 0.00 177.10 177.42 3a22 n VAL 406 N 4.45 1.55 0.00 1.60 0.24 0.50 -4.94 118.33 121.73 3a22 n VAL 406 Ca 0.13 -1.35 0.00 0.00 -2.04 0.00 0.00 64.34 61.08 3a22 n VAL 406 Cb 0.42 0.19 0.00 0.00 -1.47 0.00 0.00 33.84 32.98 3a22 n VAL 406 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3a22 n GLY 407 N 0.16 1.71 3.34 7.63 0.00 -1.25 -4.96 105.19 111.83 3a22 n GLY 407 Ca 0.16 -2.01 -0.19 0.00 0.00 0.00 0.00 46.02 43.98 3a22 n GLY 407 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 408 N -1.37 1.75 0.04 2.61 -4.23 -1.26 -1.08 115.64 112.10 3a22 s THR 408 Ca 0.00 -2.16 -0.28 0.00 -1.18 0.00 0.00 61.69 58.07 3a22 s THR 408 Cb 0.00 -2.01 0.07 0.00 1.34 0.00 0.00 72.50 71.90 3a22 s THR 408 CO 0.00 -0.55 0.64 -0.55 -0.54 0.00 0.00 174.62 173.62 3a22 s SER 409 N -3.21 -0.62 0.00 3.99 0.15 -0.70 -4.96 113.70 108.35 3a22 s SER 409 Ca 0.21 0.42 0.18 0.00 0.70 0.00 0.00 55.95 57.47 3a22 s SER 409 Cb -0.02 0.56 0.44 0.00 -1.71 0.00 0.00 66.02 65.30 3a22 s SER 409 CO 0.07 -0.76 1.36 0.00 1.20 0.00 0.00 173.24 175.12 3a22 n ALA 410 N 0.39 2.33 0.00 5.45 0.00 -1.26 -0.67 120.51 126.75 3a22 n ALA 410 Ca -0.18 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.14 3a22 n ALA 410 Cb 0.60 -0.71 0.00 0.00 0.00 0.00 0.00 19.45 19.34 3a22 n ALA 410 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3a22 n THR 411 N 1.18 0.00 -1.53 0.00 -2.24 -1.26 -3.12 114.28 107.31 3a22 n THR 411 Ca 0.18 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 3a22 n THR 411 Cb 0.53 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 3a22 n THR 411 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 412 N 2.19 -1.39 3.22 3.38 0.00 -1.26 -0.57 105.19 110.75 3a22 n GLY 412 Ca 0.00 -0.99 -0.13 0.00 0.00 0.00 0.00 46.02 44.90 3a22 n GLY 412 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3a22 s TYR 413 N -2.48 -0.25 -0.03 1.61 5.04 -0.62 -4.73 117.35 115.89 3a22 s TYR 413 Ca 0.00 0.54 0.03 0.00 -2.44 0.00 0.00 57.07 55.19 3a22 s TYR 413 Cb 0.00 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.41 3a22 s TYR 413 CO 0.00 -0.28 -0.10 0.99 -1.34 0.00 0.00 175.55 174.83 3a22 s THR 414 N -0.60 0.84 0.02 4.34 2.01 -1.26 -1.33 115.64 119.66 3a22 s THR 414 Ca -0.07 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.54 3a22 s THR 414 Cb -0.04 -0.74 -0.02 0.00 0.01 0.00 0.00 72.50 71.71 3a22 s THR 414 CO 0.02 0.26 -0.03 0.00 -0.69 0.00 0.00 174.62 174.19 3a22 s ALA 415 N 0.17 0.15 0.15 7.40 0.00 -0.74 -4.96 121.76 123.93 3a22 s ALA 415 Ca -0.03 -0.64 -0.30 0.00 0.00 0.00 0.00 51.96 50.99 3a22 s ALA 415 Cb -0.09 0.16 -0.07 0.00 0.00 0.00 0.00 23.12 23.12 3a22 s ALA 415 CO 0.01 -0.18 1.14 0.45 0.00 0.00 0.00 175.76 177.18 3a22 s SER 416 N -1.60 7.18 -0.09 0.00 0.15 -1.26 -0.80 113.70 117.27 3a22 s SER 416 Ca -0.14 2.10 0.01 0.00 0.70 0.00 0.00 55.95 58.62 3a22 s SER 416 Cb -0.08 -2.60 0.02 0.00 -1.71 0.00 0.00 66.02 61.65 3a22 s SER 416 CO -0.02 -0.32 -0.10 -0.69 1.20 0.00 0.00 173.24 173.31 3a22 s VAL 417 N 0.16 1.06 0.75 4.45 1.01 -0.31 -4.94 120.40 122.57 3a22 s VAL 417 Ca 0.53 -0.38 -0.13 0.00 0.00 0.00 0.00 61.98 61.99 3a22 s VAL 417 Cb -0.30 -1.02 0.05 0.00 0.00 0.00 0.00 36.38 35.10 3a22 s VAL 417 CO 0.34 0.36 1.14 -2.84 0.00 0.00 0.00 175.10 174.10 3a22 s PRO 418 N 1.15 2.19 0.02 2.72 0.02 -1.26 -1.94 135.00 137.90 3a22 s PRO 418 Ca -0.05 1.49 -0.36 0.00 0.02 0.00 0.00 61.00 62.09 3a22 s PRO 418 Cb -0.14 -1.87 -0.15 0.00 0.02 0.00 0.00 34.50 32.36 3a22 s PRO 418 CO -0.02 -1.74 1.58 0.00 -0.33 0.00 0.00 177.00 176.49 3a22 n ALA 419 N -3.03 0.26 -0.86 -1.55 0.00 -1.26 -0.78 120.51 113.29 3a22 n ALA 419 Ca 0.11 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3a22 n ALA 419 Cb 0.52 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.70 3a22 n ALA 419 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 420 N 3.42 0.54 2.12 0.00 0.00 0.50 -4.95 105.19 106.82 3a22 n GLY 420 Ca 0.20 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.11 3a22 n GLY 420 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 421 N -1.87 1.79 3.31 -0.02 0.00 0.04 -4.86 105.19 103.58 3a22 n GLY 421 Ca 0.00 -2.16 -0.11 0.00 0.00 0.00 0.00 46.02 43.75 3a22 n GLY 421 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3a22 s SER 422 N -2.98 -0.23 -0.03 1.61 1.04 -1.26 -1.64 113.70 110.21 3a22 s SER 422 Ca 0.33 -0.18 0.06 0.00 0.48 0.00 0.00 55.95 56.65 3a22 s SER 422 Cb -0.03 0.44 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 3a22 s SER 422 CO 0.21 -0.74 -0.21 -0.69 0.98 0.00 0.00 173.24 172.79 3a22 s VAL 423 N -3.10 1.69 -0.13 5.02 1.01 -0.34 -4.92 120.40 119.63 3a22 s VAL 423 Ca -0.01 -0.89 0.01 0.00 0.00 0.00 0.00 61.98 61.08 3a22 s VAL 423 Cb 0.01 -1.42 -0.01 0.00 0.00 0.00 0.00 36.38 34.96 3a22 s VAL 423 CO -0.07 0.48 -0.16 -0.32 0.00 0.00 0.00 175.10 175.03 3a22 s MET 424 N -0.32 3.28 0.11 2.72 1.75 -1.26 -0.75 119.30 124.83 3a22 s MET 424 Ca 0.03 -0.74 0.03 0.00 -1.25 0.00 0.00 55.69 53.77 3a22 s MET 424 Cb -0.10 -2.57 -0.04 0.00 2.84 0.00 0.00 34.83 34.96 3a22 s MET 424 CO 0.01 0.16 -0.09 -0.51 -0.65 0.00 0.00 175.02 173.94 3a22 s LEU 425 N 0.46 2.46 0.13 4.11 1.43 0.14 -1.28 118.68 126.12 3a22 s LEU 425 Ca -0.11 -0.90 0.08 0.00 -1.03 0.00 0.00 54.13 52.17 3a22 s LEU 425 Cb -0.16 -0.26 -0.04 0.00 0.03 0.00 0.00 46.19 45.76 3a22 s LEU 425 CO 0.05 -0.33 -0.13 0.42 0.23 0.00 0.00 176.35 176.59 3a22 s THR 426 N -2.92 3.11 -0.23 5.49 -4.23 -0.30 -0.15 115.64 116.40 3a22 s THR 426 Ca 0.09 -1.46 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 3a22 s THR 426 Cb 0.00 -2.46 0.06 0.00 1.34 0.00 0.00 72.50 71.44 3a22 s THR 426 CO -0.01 0.05 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.35 3a22 s VAL 427 N -1.30 1.72 0.19 2.29 1.01 -0.20 -0.76 120.40 123.35 3a22 s VAL 427 Ca 0.21 -1.28 0.07 0.00 0.00 0.00 0.00 61.98 60.98 3a22 s VAL 427 Cb -0.10 -1.90 -0.05 0.00 0.00 0.00 0.00 36.38 34.33 3a22 s VAL 427 CO 0.13 -0.02 -0.13 0.42 0.00 0.00 0.00 175.10 175.50 3a22 s THR 428 N 1.32 1.56 -1.40 3.92 -4.23 -0.07 -0.82 115.64 115.91 3a22 s THR 428 Ca -0.06 -2.16 0.00 0.00 -1.18 0.00 0.00 61.69 58.29 3a22 s THR 428 Cb -0.19 -2.01 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3a22 s THR 428 CO -0.06 -0.62 0.00 0.61 -0.54 0.00 0.00 174.62 174.00 3a22 n GLY 429 N -0.34 1.37 3.19 3.99 0.00 -1.15 -1.17 105.19 111.08 3a22 n GLY 429 Ca -0.08 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.29 3a22 n GLY 429 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 430 N -1.35 -1.25 3.39 -0.02 0.00 -0.60 -4.64 105.19 100.74 3a22 n GLY 430 Ca -0.13 -1.73 -0.33 0.00 0.00 0.00 0.00 46.02 43.83 3a22 n GLY 430 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a22 s THR 431 N -3.32 3.18 0.35 2.61 2.01 -1.26 -4.18 115.64 115.02 3a22 s THR 431 Ca 0.62 -0.62 -0.28 0.00 0.31 0.00 0.00 61.69 61.71 3a22 s THR 431 Cb -0.02 -2.34 -0.10 0.00 0.01 0.00 0.00 72.50 70.05 3a22 s THR 431 CO 0.43 0.52 1.35 -1.61 -0.69 0.00 0.00 174.62 174.63 3a22 s GLU 432 N 0.30 4.27 0.77 4.92 0.41 -1.26 -0.55 118.70 127.56 3a22 s GLU 432 Ca -0.09 2.31 -0.14 0.00 -0.41 0.00 0.00 54.97 56.64 3a22 s GLU 432 Cb -0.15 -3.03 0.06 0.00 -1.78 0.00 0.00 34.13 29.23 3a22 s GLU 432 CO 0.05 -0.30 1.23 0.00 -0.49 0.00 0.00 175.26 175.75 3a22 s ALA 433 N -1.14 1.95 0.16 5.21 0.00 -0.63 -4.42 121.76 122.90 3a22 s ALA 433 Ca 0.50 0.93 -0.33 0.00 0.00 0.00 0.00 51.96 53.06 3a22 s ALA 433 Cb -0.41 -3.51 -0.13 0.00 0.00 0.00 0.00 23.12 19.07 3a22 s ALA 433 CO 0.55 -2.15 1.63 0.00 0.00 0.00 0.00 175.76 175.80 3a22 n ALA 434 N -3.00 1.69 -2.21 0.00 0.00 -1.26 -4.96 120.51 110.77 3a22 n ALA 434 Ca 0.14 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.78 3a22 n ALA 434 Cb 0.50 -2.40 0.02 0.00 0.00 0.00 0.00 19.45 17.57 3a22 n ALA 434 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 3a22 s GLY 435 N 1.14 2.07 -0.09 0.00 0.00 -1.26 -4.73 107.32 104.45 3a22 s GLY 435 Ca 0.79 -1.71 0.02 0.00 0.00 0.00 0.00 44.72 43.82 3a22 s GLY 435 CO 0.37 -1.79 -0.15 -0.32 0.00 0.00 0.00 173.10 171.20 3a22 s GLY 436 N -4.42 1.50 -0.14 0.20 0.00 -0.35 -4.95 107.32 99.16 3a22 s GLY 436 Ca 0.48 -0.95 -0.03 0.00 0.00 0.00 0.00 44.72 44.22 3a22 s GLY 436 CO 0.30 -0.47 -0.02 0.00 0.00 0.00 0.00 173.10 172.91 3a22 s ALA 437 N -0.12 3.11 -0.15 3.20 0.00 -1.26 -0.87 121.76 125.67 3a22 s ALA 437 Ca -0.02 -0.81 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3a22 s ALA 437 Cb -0.14 -1.56 0.02 0.00 0.00 0.00 0.00 23.12 21.44 3a22 s ALA 437 CO 0.04 0.32 -0.14 0.71 0.00 0.00 0.00 175.76 176.69 3a22 s TYR 438 N 0.00 2.13 0.85 0.00 1.51 0.34 -5.00 117.35 117.19 3a22 s TYR 438 Ca 0.02 -1.19 -0.10 0.00 -1.01 0.00 0.00 57.07 54.79 3a22 s TYR 438 Cb -0.13 -1.57 0.11 0.00 -0.11 0.00 0.00 41.96 40.25 3a22 s TYR 438 CO 0.02 -0.66 1.11 0.00 -1.11 0.00 0.00 175.55 174.92 3a22 s ALA 439 N 1.48 1.80 0.18 3.71 0.00 -1.26 -1.20 121.76 126.48 3a22 s ALA 439 Ca 0.05 0.37 -0.32 0.00 0.00 0.00 0.00 51.96 52.06 3a22 s ALA 439 Cb -0.13 -3.34 -0.16 0.00 0.00 0.00 0.00 23.12 19.49 3a22 s ALA 439 CO -0.10 -2.28 0.99 0.00 0.00 0.00 0.00 175.76 174.36 3a22 n ALA 440 N -3.88 -1.40 -2.85 0.00 0.00 -1.26 -4.49 120.51 106.63 3a22 n ALA 440 Ca 0.10 0.46 -0.31 0.00 0.00 0.00 0.00 53.44 53.69 3a22 n ALA 440 Cb 0.53 -1.91 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 3a22 n ALA 440 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 3a22 s THR 441 N -0.52 5.00 -2.08 0.00 -1.32 -1.26 -4.90 115.64 110.56 3a22 s THR 441 Ca 0.70 -0.54 0.18 0.00 -1.21 0.00 0.00 61.69 60.82 3a22 s THR 441 Cb -0.88 -3.41 0.48 0.00 -1.51 0.00 0.00 72.50 67.18 3a22 s THR 441 CO 0.55 0.15 1.42 -1.54 -2.21 0.00 0.00 174.62 173.00 3a22 n SER 442 N 0.43 2.94 -0.15 8.08 3.41 -1.26 -4.51 113.62 122.57 3a22 n SER 442 Ca -0.07 -1.97 0.02 0.00 -0.26 0.00 0.00 58.87 56.59 3a22 n SER 442 Cb 0.51 -0.34 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 3a22 n SER 442 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3a22 n THR 443 N 1.12 0.69 -2.23 6.66 -2.24 -1.26 -4.99 114.28 112.03 3a22 n THR 443 Ca 0.19 -0.78 -0.02 0.00 -2.27 0.00 0.00 64.05 61.16 3a22 n THR 443 Cb 0.48 0.45 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3a22 n THR 443 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 444 N -0.46 -0.37 2.81 3.38 0.00 -1.26 -4.90 105.19 104.38 3a22 n GLY 444 Ca 0.04 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.82 3a22 n GLY 444 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3a22 s ARG 445 N -4.50 0.87 -0.25 1.61 3.52 -1.26 -0.26 118.95 118.68 3a22 s ARG 445 Ca 0.00 -0.00 -0.08 0.00 -0.13 0.00 0.00 55.73 55.52 3a22 s ARG 445 Cb 0.00 -1.17 -0.03 0.00 -1.56 0.00 0.00 34.95 32.19 3a22 s ARG 445 CO 0.00 -0.30 0.09 0.71 -0.81 0.00 0.00 175.30 174.99 3a22 s TYR 446 N 1.90 3.12 0.39 5.12 1.51 0.02 -4.85 117.35 124.55 3a22 s TYR 446 Ca 0.05 -0.28 0.08 0.00 -1.01 0.00 0.00 57.07 55.91 3a22 s TYR 446 Cb -0.12 -2.25 -0.07 0.00 -0.11 0.00 0.00 41.96 39.40 3a22 s TYR 446 CO -0.06 -0.28 -0.02 0.95 -1.11 0.00 0.00 175.55 175.03 3a22 s THR 447 N 1.54 2.12 -1.40 -0.71 -4.23 -1.26 -0.93 115.64 110.76 3a22 s THR 447 Ca 0.06 -2.05 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3a22 s THR 447 Cb -0.15 -2.87 0.00 0.00 1.34 0.00 0.00 72.50 70.82 3a22 s THR 447 CO 0.05 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3a22 n GLY 448 N -0.92 1.25 3.71 3.99 0.00 -1.17 -4.96 105.19 107.09 3a22 n GLY 448 Ca -0.05 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.17 3a22 n GLY 448 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3a22 s VAL 449 N -2.52 3.77 -0.12 1.61 1.01 -0.61 -4.80 120.40 118.74 3a22 s VAL 449 Ca 0.00 1.24 -0.02 0.00 0.00 0.00 0.00 61.98 63.19 3a22 s VAL 449 Cb 0.00 -3.79 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 3a22 s VAL 449 CO 0.00 0.06 -0.04 -0.89 0.00 0.00 0.00 175.10 174.24 3a22 s THR 450 N 1.50 3.92 -0.04 3.92 2.01 -1.26 -2.88 115.64 122.81 3a22 s THR 450 Ca 0.61 -0.37 0.02 0.00 0.31 0.00 0.00 61.69 62.27 3a22 s THR 450 Cb -0.32 -2.68 0.01 0.00 0.01 0.00 0.00 72.50 69.53 3a22 s THR 450 CO 0.28 0.54 -0.09 0.00 -0.69 0.00 0.00 174.62 174.66 3a22 s ALA 451 N -0.19 0.96 0.39 7.40 0.00 0.14 -4.97 121.76 125.49 3a22 s ALA 451 Ca 0.03 -0.31 0.13 0.00 0.00 0.00 0.00 51.96 51.81 3a22 s ALA 451 Cb -0.13 -0.42 0.78 0.00 0.00 0.00 0.00 23.12 23.36 3a22 s ALA 451 CO 0.02 0.11 1.86 0.00 0.00 0.00 0.00 175.76 177.76 3a22 h ALA 452 N 6.70 1.46 -2.60 0.00 0.00 -1.92 0.79 119.26 123.69 3a22 h ALA 452 Ca -0.34 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.14 3a22 h ALA 452 Cb 1.17 -0.05 -0.18 0.00 0.00 0.00 0.00 17.79 18.73 3a22 h ALA 452 CO 0.48 0.41 -0.61 0.45 0.00 0.00 0.00 179.25 179.98 3a22 s SER 453 N -6.95 0.28 0.26 0.00 0.15 -1.26 -4.77 113.70 101.41 3a22 s SER 453 Ca -0.03 -0.66 -0.31 0.00 0.70 0.00 0.00 55.95 55.65 3a22 s SER 453 Cb 0.15 0.19 -0.11 0.00 -1.71 0.00 0.00 66.02 64.53 3a22 s SER 453 CO 0.72 -0.48 1.63 -0.89 1.20 0.00 0.00 173.24 175.42 3a22 s THR 454 N -2.69 2.09 -5.00 6.45 2.01 -1.25 -4.15 115.64 113.10 3a22 s THR 454 Ca -0.04 0.07 0.00 0.00 0.31 0.00 0.00 61.69 62.03 3a22 s THR 454 Cb -0.01 -3.05 0.00 0.00 0.01 0.00 0.00 72.50 69.46 3a22 s THR 454 CO -0.05 0.01 0.00 0.61 -0.69 0.00 0.00 174.62 174.50 3a22 n GLY 455 N 2.82 -0.96 3.80 4.40 0.00 -0.74 -0.60 105.19 113.91 3a22 n GLY 455 Ca 0.11 -1.36 -0.38 0.00 0.00 0.00 0.00 46.02 44.39 3a22 n GLY 455 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3a22 s LEU 456 N 0.00 4.52 0.06 0.99 2.96 -1.26 -1.16 118.68 124.79 3a22 s LEU 456 Ca 0.00 1.39 0.05 0.00 -0.22 0.00 0.00 54.13 55.35 3a22 s LEU 456 Cb 0.00 -3.12 -0.03 0.00 0.50 0.00 0.00 46.19 43.54 3a22 s LEU 456 CO 0.00 0.22 -0.13 0.20 -1.32 0.00 0.00 176.35 175.32 3a22 s ASN 457 N -1.22 1.52 -0.17 3.68 0.01 0.90 -1.08 114.94 118.58 3a22 s ASN 457 Ca 0.33 -0.58 -0.16 0.00 -0.71 0.00 0.00 52.86 51.74 3a22 s ASN 457 Cb -0.20 -0.04 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 3a22 s ASN 457 CO 0.22 -0.09 0.41 -0.69 -1.51 0.00 0.00 177.10 175.44 3a22 s VAL 458 N -1.24 5.21 -0.18 1.60 1.01 0.29 -1.05 120.40 126.04 3a22 s VAL 458 Ca -0.03 0.77 -0.00 0.00 0.00 0.00 0.00 61.98 62.72 3a22 s VAL 458 Cb -0.10 -3.75 0.00 0.00 0.00 0.00 0.00 36.38 32.54 3a22 s VAL 458 CO 0.02 0.29 -0.15 -0.69 0.00 0.00 0.00 175.10 174.57 3a22 s VAL 459 N 0.99 2.61 -0.30 2.92 1.01 0.04 -1.27 120.40 126.41 3a22 s VAL 459 Ca 0.21 -0.77 -0.14 0.00 0.00 0.00 0.00 61.98 61.28 3a22 s VAL 459 Cb -0.15 -2.12 -0.03 0.00 0.00 0.00 0.00 36.38 34.08 3a22 s VAL 459 CO 0.08 0.50 0.31 -1.81 0.00 0.00 0.00 175.10 174.18 3a22 s ASP 460 N 1.09 6.15 -0.37 3.32 1.01 -0.31 -1.31 116.67 126.25 3a22 s ASP 460 Ca -0.00 -0.02 -0.12 0.00 0.71 0.00 0.00 52.55 53.12 3a22 s ASP 460 Cb -0.14 -2.18 0.02 0.00 1.01 0.00 0.00 42.92 41.63 3a22 s ASP 460 CO -0.05 -0.20 0.23 -0.69 0.21 0.00 0.00 175.17 174.67 3a22 s VAL 461 N 1.94 4.82 0.22 -1.27 1.01 0.46 -1.88 120.40 125.72 3a22 s VAL 461 Ca 0.11 -0.69 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 3a22 s VAL 461 Cb -0.16 -3.64 -0.09 0.00 0.00 0.00 0.00 36.38 32.49 3a22 s VAL 461 CO 0.11 -0.20 0.92 0.00 0.00 0.00 0.00 175.10 175.93 3a22 s ALA 462 N 1.61 3.35 0.18 5.51 0.00 -0.49 -2.31 121.76 129.61 3a22 s ALA 462 Ca 0.03 0.58 -0.24 0.00 0.00 0.00 0.00 51.96 52.33 3a22 s ALA 462 Cb -0.19 -3.17 0.05 0.00 0.00 0.00 0.00 23.12 19.81 3a22 s ALA 462 CO 0.08 0.21 0.88 1.52 0.00 0.00 0.00 175.76 178.45 3a22 s TYR 463 N -1.12 -0.16 -0.06 0.00 1.13 -0.09 0.46 117.35 117.51 3a22 s TYR 463 Ca 0.40 -0.18 0.04 0.00 -1.41 0.00 0.00 57.07 55.92 3a22 s TYR 463 Cb -0.25 0.66 0.00 0.00 -1.10 0.00 0.00 41.96 41.26 3a22 s TYR 463 CO 0.31 -0.94 -0.17 0.99 -2.51 0.00 0.00 175.55 173.23 3a22 s THR 464 N -3.47 1.46 -0.48 -3.49 2.01 -1.25 -1.44 115.64 108.98 3a22 s THR 464 Ca 0.11 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.45 3a22 s THR 464 Cb -0.03 -1.28 0.15 0.00 0.01 0.00 0.00 72.50 71.36 3a22 s THR 464 CO 0.03 0.42 0.31 0.21 -0.69 0.00 0.00 174.62 174.90 3a22 s ASN 465 N 0.31 3.33 -0.63 3.53 2.47 -1.26 -4.69 114.94 118.00 3a22 s ASN 465 Ca -0.10 -2.92 -0.04 0.00 0.42 0.00 0.00 52.86 50.22 3a22 s ASN 465 Cb -0.14 -0.97 0.12 0.00 -1.45 0.00 0.00 41.25 38.81 3a22 s ASN 465 CO 0.04 -0.21 2.58 -3.20 -3.72 0.00 0.00 177.10 172.59 3a22 n ASN 466 N 3.13 6.84 -4.14 -4.21 5.15 -1.25 0.22 115.26 121.01 3a22 n ASN 466 Ca 0.16 -3.32 -0.25 0.00 -0.60 0.00 0.00 54.58 50.56 3a22 n ASN 466 Cb 0.38 -1.22 -0.08 0.00 -0.53 0.00 0.00 39.78 38.33 3a22 n ASN 466 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3a22 s THR 467 N -2.68 0.63 -0.64 -0.44 -4.23 -1.26 -4.93 115.64 102.09 3a22 s THR 467 Ca 0.57 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.33 3a22 s THR 467 Cb 0.37 -2.37 0.30 0.00 1.34 0.00 0.00 72.50 72.13 3a22 s THR 467 CO -0.24 0.00 1.71 0.77 -0.54 0.00 0.00 174.62 176.32 3a22 h SER 468 N 1.81 0.00 -4.29 3.99 4.64 -2.02 -3.43 113.55 114.25 3a22 h SER 468 Ca -0.36 -0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.45 3a22 h SER 468 Cb 1.27 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.14 3a22 h SER 468 CO 0.57 0.00 -0.81 -0.44 -0.87 0.00 0.00 176.83 175.28 3a22 s SER 469 N -5.05 2.20 0.45 4.97 0.01 -1.26 -4.85 113.70 110.18 3a22 s SER 469 Ca 0.09 -0.63 -0.24 0.00 1.31 0.00 0.00 55.95 56.49 3a22 s SER 469 Cb 0.10 -0.12 -0.09 0.00 0.21 0.00 0.00 66.02 66.13 3a22 s SER 469 CO 0.62 0.03 1.22 0.00 0.41 0.00 0.00 173.24 175.53 3a22 n ALA 470 N 1.31 1.10 -2.43 1.44 0.00 -1.26 -4.43 120.51 116.24 3a22 n ALA 470 Ca -0.20 0.22 -0.29 0.00 0.00 0.00 0.00 53.44 53.17 3a22 n ALA 470 Cb 0.54 -2.24 -0.13 0.00 0.00 0.00 0.00 19.45 17.62 3a22 n ALA 470 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3a22 s ARG 471 N -2.33 1.63 0.13 0.00 0.52 -0.67 -4.92 118.95 113.30 3a22 s ARG 471 Ca 0.64 -1.24 0.07 0.00 -0.52 0.00 0.00 55.73 54.68 3a22 s ARG 471 Cb -0.49 -2.01 -0.04 0.00 0.52 0.00 0.00 34.95 32.93 3a22 s ARG 471 CO 0.56 0.47 -0.05 0.95 0.02 0.00 0.00 175.30 177.25 3a22 s THR 472 N -1.06 3.58 0.13 0.02 -4.23 -1.26 0.01 115.64 112.82 3a22 s THR 472 Ca 0.15 -1.31 0.05 0.00 -1.18 0.00 0.00 61.69 59.40 3a22 s THR 472 Cb -0.10 -2.73 -0.04 0.00 1.34 0.00 0.00 72.50 70.97 3a22 s THR 472 CO 0.07 0.02 -0.12 0.00 -0.54 0.00 0.00 174.62 174.05 3a22 s ALA 473 N -1.45 1.41 -0.12 3.99 0.00 -0.38 -2.34 121.76 122.88 3a22 s ALA 473 Ca 0.24 -1.33 -0.20 0.00 0.00 0.00 0.00 51.96 50.68 3a22 s ALA 473 Cb -0.10 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 3a22 s ALA 473 CO 0.16 0.01 0.54 0.99 0.00 0.00 0.00 175.76 177.47 3a22 s THR 474 N -2.55 5.14 -0.15 0.00 2.01 -0.11 -0.81 115.64 119.17 3a22 s THR 474 Ca 0.11 1.08 -0.04 0.00 0.31 0.00 0.00 61.69 63.15 3a22 s THR 474 Cb -0.02 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.58 3a22 s THR 474 CO 0.02 0.29 -0.03 -0.22 -0.69 0.00 0.00 174.62 173.99 3a22 s LEU 475 N 0.80 3.31 -0.11 4.42 2.96 0.14 -0.75 118.68 129.45 3a22 s LEU 475 Ca 0.29 -0.09 -0.00 0.00 -0.22 0.00 0.00 54.13 54.11 3a22 s LEU 475 Cb -0.16 -1.79 0.02 0.00 0.50 0.00 0.00 46.19 44.76 3a22 s LEU 475 CO 0.12 0.20 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.69 3a22 s GLN 476 N 0.19 1.55 -0.29 1.98 0.74 0.65 -0.57 119.66 123.91 3a22 s GLN 476 Ca -0.01 -0.27 -0.17 0.00 0.05 0.00 0.00 55.36 54.96 3a22 s GLN 476 Cb -0.14 -1.59 -0.02 0.00 1.10 0.00 0.00 33.01 32.36 3a22 s GLN 476 CO 0.03 -0.26 0.47 0.08 -0.55 0.00 0.00 175.29 175.06 3a22 s VAL 477 N 1.67 5.08 0.00 1.34 1.01 -1.26 -0.60 120.40 127.64 3a22 s VAL 477 Ca 0.04 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.65 3a22 s VAL 477 Cb -0.13 -3.83 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3a22 s VAL 477 CO -0.08 0.01 0.00 0.59 0.00 0.00 0.00 175.10 175.63 3a22 n ASN 478 N 5.54 0.00 -1.79 3.32 3.02 0.35 -1.41 115.26 124.29 3a22 n ASN 478 Ca -0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.43 3a22 n ASN 478 Cb 0.50 0.00 0.27 0.00 -0.61 0.00 0.00 39.78 39.93 3a22 n ASN 478 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 479 N 0.00 4.03 3.80 7.41 0.00 -1.26 -4.98 105.19 114.19 3a22 n GLY 479 Ca 0.00 -1.05 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 3a22 n GLY 479 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a22 s GLN 480 N -3.07 1.24 0.31 1.61 -0.21 -0.50 -4.96 119.66 114.08 3a22 s GLN 480 Ca 0.52 0.26 -0.30 0.00 0.02 0.00 0.00 55.36 55.87 3a22 s GLN 480 Cb 0.43 -1.85 -0.11 0.00 1.00 0.00 0.00 33.01 32.48 3a22 s GLN 480 CO 0.11 -2.12 1.55 0.99 -2.12 0.00 0.00 175.29 173.69 3a22 s THR 481 N -3.33 2.13 0.66 -0.19 2.01 -1.26 -4.70 115.64 110.96 3a22 s THR 481 Ca 0.64 0.12 -0.12 0.00 0.31 0.00 0.00 61.69 62.63 3a22 s THR 481 Cb -0.14 -3.07 -0.01 0.00 0.01 0.00 0.00 72.50 69.29 3a22 s THR 481 CO 0.53 0.02 1.05 0.00 -0.69 0.00 0.00 174.62 175.53 3a22 s ALA 482 N -0.26 2.76 0.11 7.40 0.00 -1.26 -4.75 121.76 125.76 3a22 s ALA 482 Ca 0.60 0.12 0.03 0.00 0.00 0.00 0.00 51.96 52.71 3a22 s ALA 482 Cb -0.47 -3.17 -0.04 0.00 0.00 0.00 0.00 23.12 19.44 3a22 s ALA 482 CO 0.51 -1.03 -0.08 -0.08 0.00 0.00 0.00 175.76 175.08 3a22 s THR 483 N -2.93 0.83 -0.07 0.00 -1.32 0.26 -4.88 115.64 107.53 3a22 s THR 483 Ca 0.59 -1.91 -0.12 0.00 -1.21 0.00 0.00 61.69 59.04 3a22 s THR 483 Cb -0.14 -1.66 -0.05 0.00 -1.51 0.00 0.00 72.50 69.15 3a22 s THR 483 CO 0.50 -0.80 0.30 -0.89 -2.21 0.00 0.00 174.62 171.53 3a22 s THR 484 N -3.36 5.24 -0.07 5.08 2.01 -1.26 0.28 115.64 123.55 3a22 s THR 484 Ca 0.12 0.58 0.05 0.00 0.31 0.00 0.00 61.69 62.74 3a22 s THR 484 Cb 0.03 -3.59 -0.00 0.00 0.01 0.00 0.00 72.50 68.94 3a22 s THR 484 CO -0.03 0.56 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.55 3a22 s VAL 485 N -0.79 1.89 -0.15 3.82 1.01 0.01 -4.68 120.40 121.51 3a22 s VAL 485 Ca 0.20 -0.95 -0.07 0.00 0.00 0.00 0.00 61.98 61.15 3a22 s VAL 485 Cb -0.14 -1.62 -0.04 0.00 0.00 0.00 0.00 36.38 34.57 3a22 s VAL 485 CO 0.09 0.53 0.11 -0.55 0.00 0.00 0.00 175.10 175.28 3a22 s SER 486 N 0.10 6.13 -0.38 3.32 0.15 -1.26 -1.25 113.70 120.50 3a22 s SER 486 Ca -0.10 0.32 0.01 0.00 0.70 0.00 0.00 55.95 56.88 3a22 s SER 486 Cb -0.15 -2.01 0.11 0.00 -1.71 0.00 0.00 66.02 62.26 3a22 s SER 486 CO 0.05 0.31 0.13 -0.36 1.20 0.00 0.00 173.24 174.57 3a22 s PHE 487 N -0.43 3.66 0.89 3.44 0.40 0.10 -4.85 117.98 121.20 3a22 s PHE 487 Ca 0.11 -2.78 -0.10 0.00 -0.60 0.00 0.00 56.93 53.56 3a22 s PHE 487 Cb -0.12 -3.05 0.13 0.00 0.51 0.00 0.00 43.02 40.49 3a22 s PHE 487 CO 0.02 -0.95 1.13 -2.14 0.70 0.00 0.00 175.22 173.98 3a22 s PRO 488 N 0.91 1.26 0.19 0.24 0.02 -1.26 -1.68 135.00 134.69 3a22 s PRO 488 Ca 0.10 1.45 -0.32 0.00 0.02 0.00 0.00 61.00 62.25 3a22 s PRO 488 Cb -0.21 -1.76 -0.15 0.00 0.02 0.00 0.00 34.50 32.40 3a22 s PRO 488 CO -0.06 -2.43 1.21 -2.30 -0.33 0.00 0.00 177.00 173.09 3a22 n PRO 489 N -4.09 1.38 -0.00 5.54 -0.02 -1.26 -4.62 135.00 131.93 3a22 n PRO 489 Ca 0.11 0.49 0.05 0.00 -2.02 0.00 0.00 63.50 62.13 3a22 n PRO 489 Cb 0.52 -2.02 -0.08 0.00 -0.02 0.00 0.00 33.50 31.91 3a22 n PRO 489 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3a22 n THR 490 N 1.54 0.00 -4.16 3.45 -2.24 0.13 -4.95 114.28 108.05 3a22 n THR 490 Ca 0.14 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3a22 n THR 490 Cb 0.26 0.36 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3a22 n THR 490 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 491 N 1.82 -1.19 0.16 3.38 0.00 -1.21 -4.33 105.19 103.82 3a22 n GLY 491 Ca -0.01 -1.25 0.03 0.00 0.00 0.00 0.00 46.02 44.79 3a22 n GLY 491 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 h ALA 492 N -0.16 0.88 -2.95 4.61 0.00 -1.93 -3.31 119.26 116.39 3a22 h ALA 492 Ca 0.00 -0.45 -0.67 0.00 0.00 0.00 0.00 54.91 53.79 3a22 h ALA 492 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 17.79 17.61 3a22 h ALA 492 CO 0.00 0.61 -0.54 -1.54 0.00 0.00 0.00 179.25 177.78 3a22 s SER 493 N -6.53 5.87 0.89 0.00 1.04 -1.26 -4.99 113.70 108.72 3a22 s SER 493 Ca 0.01 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.64 3a22 s SER 493 Cb 0.11 -1.79 0.13 0.00 0.10 0.00 0.00 66.02 64.56 3a22 s SER 493 CO 0.72 0.38 1.16 0.00 0.98 0.00 0.00 173.24 176.48 3a22 s ALA 494 N -1.00 1.58 0.24 5.32 0.00 -1.26 -4.87 121.76 121.76 3a22 s ALA 494 Ca 0.15 0.64 -0.01 0.00 0.00 0.00 0.00 51.96 52.74 3a22 s ALA 494 Cb -0.12 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.55 3a22 s ALA 494 CO 0.05 -2.63 0.32 0.41 0.00 0.00 0.00 175.76 173.90 3a22 n GLY 495 N 0.22 2.49 3.34 0.00 0.00 -0.52 -4.62 105.19 106.10 3a22 n GLY 495 Ca 0.12 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.35 3a22 n GLY 495 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 496 N -2.70 1.91 0.28 2.61 -4.23 -0.51 -0.91 115.64 112.08 3a22 s THR 496 Ca 0.20 -1.83 0.10 0.00 -1.18 0.00 0.00 61.69 58.99 3a22 s THR 496 Cb -0.01 -1.82 -0.05 0.00 1.34 0.00 0.00 72.50 71.96 3a22 s THR 496 CO 0.14 -0.19 -0.07 0.68 -0.54 0.00 0.00 174.62 174.64 3a22 s VAL 497 N -1.68 3.03 0.04 2.29 -7.23 -0.98 -0.11 120.40 115.75 3a22 s VAL 497 Ca 0.14 -2.09 0.07 0.00 -1.81 0.00 0.00 61.98 58.29 3a22 s VAL 497 Cb -0.08 -2.65 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 3a22 s VAL 497 CO 0.06 -0.37 -0.18 -0.44 -0.31 0.00 0.00 175.10 173.87 3a22 s SER 498 N -3.62 3.80 0.10 4.85 0.01 -1.26 -0.40 113.70 117.18 3a22 s SER 498 Ca 0.31 -0.42 0.05 0.00 1.31 0.00 0.00 55.95 57.20 3a22 s SER 498 Cb -0.05 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.52 3a22 s SER 498 CO 0.18 0.26 -0.12 0.68 0.41 0.00 0.00 173.24 174.65 3a22 s VAL 499 N -0.91 1.12 -0.17 3.43 -7.23 -0.43 -4.39 120.40 111.82 3a22 s VAL 499 Ca 0.14 -1.63 -0.08 0.00 -1.81 0.00 0.00 61.98 58.60 3a22 s VAL 499 Cb -0.10 -1.39 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 3a22 s VAL 499 CO 0.05 -0.46 0.11 -1.61 -0.31 0.00 0.00 175.10 172.87 3a22 s GLU 500 N -2.62 3.86 0.08 4.82 2.02 -1.26 -0.78 118.70 124.81 3a22 s GLU 500 Ca 0.06 -0.24 0.04 0.00 0.02 0.00 0.00 54.97 54.86 3a22 s GLU 500 Cb -0.04 -3.27 -0.03 0.00 0.10 0.00 0.00 34.13 30.88 3a22 s GLU 500 CO 0.02 0.45 -0.12 0.14 0.02 0.00 0.00 175.26 175.76 3a22 s VAL 501 N -0.10 0.99 -0.21 2.63 -7.23 -0.22 -4.20 120.40 112.07 3a22 s VAL 501 Ca 0.09 -1.36 -0.11 0.00 -1.81 0.00 0.00 61.98 58.79 3a22 s VAL 501 Cb -0.12 -1.08 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 3a22 s VAL 501 CO 0.00 -0.34 0.15 -0.55 -0.31 0.00 0.00 175.10 174.06 3a22 s SER 502 N -1.91 6.20 0.16 4.85 0.15 -1.26 -0.07 113.70 121.82 3a22 s SER 502 Ca -0.01 0.21 0.09 0.00 0.70 0.00 0.00 55.95 56.95 3a22 s SER 502 Cb -0.08 -2.10 -0.04 0.00 -1.71 0.00 0.00 66.02 62.08 3a22 s SER 502 CO 0.02 0.13 -0.21 -0.76 1.20 0.00 0.00 173.24 173.62 3a22 s LEU 503 N 0.60 2.40 0.06 3.45 1.43 -0.31 -4.52 118.68 121.80 3a22 s LEU 503 Ca 0.09 -0.82 -0.17 0.00 -1.03 0.00 0.00 54.13 52.20 3a22 s LEU 503 Cb -0.12 -0.95 -0.06 0.00 0.03 0.00 0.00 46.19 45.09 3a22 s LEU 503 CO 0.01 0.04 0.50 -0.44 0.23 0.00 0.00 176.35 176.69 3a22 s SER 504 N -2.48 6.92 0.16 2.29 0.01 -1.26 -1.80 113.70 117.54 3a22 s SER 504 Ca 0.15 1.11 -0.33 0.00 1.31 0.00 0.00 55.95 58.20 3a22 s SER 504 Cb -0.07 -2.30 -0.16 0.00 0.21 0.00 0.00 66.02 63.69 3a22 s SER 504 CO 0.07 0.26 1.06 1.17 0.41 0.00 0.00 173.24 176.21 3a22 n LYS 505 N 1.58 0.88 0.00 12.44 4.81 -1.26 -4.43 118.16 132.18 3a22 n LYS 505 Ca -0.11 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.65 3a22 n LYS 505 Cb 0.51 -1.74 0.00 0.00 0.02 0.00 0.00 35.03 33.82 3a22 n LYS 505 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3a22 n GLY 506 N 1.90 -0.66 0.66 3.14 0.00 0.27 -4.79 105.19 105.71 3a22 n GLY 506 Ca 0.16 -2.12 0.06 0.00 0.00 0.00 0.00 46.02 44.12 3a22 n GLY 506 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3a22 n SER 507 N 0.00 1.55 -1.57 1.61 3.41 -1.26 -0.69 113.62 116.67 3a22 n SER 507 Ca 0.00 -3.16 0.08 0.00 -0.26 0.00 0.00 58.87 55.53 3a22 n SER 507 Cb 0.00 -0.43 0.36 0.00 -0.26 0.00 0.00 64.21 63.88 3a22 n SER 507 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3a22 n ALA 508 N -0.76 3.36 -1.98 7.33 0.00 -1.26 -3.86 120.51 123.34 3a22 n ALA 508 Ca 0.14 -1.81 -0.41 0.00 0.00 0.00 0.00 53.44 51.36 3a22 n ALA 508 Cb 0.77 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 19.18 3a22 n ALA 508 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3a22 s ASN 509 N -1.01 7.55 -0.06 0.00 0.01 -1.14 -4.84 114.94 115.45 3a22 s ASN 509 Ca 0.50 1.90 0.05 0.00 -0.71 0.00 0.00 52.86 54.61 3a22 s ASN 509 Cb 0.36 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.41 3a22 s ASN 509 CO 0.19 0.03 -0.21 -0.89 -1.51 0.00 0.00 177.10 174.71 3a22 s THR 510 N -0.63 1.76 -0.26 1.60 2.01 -1.26 -1.57 115.64 117.28 3a22 s THR 510 Ca 0.44 -0.89 -0.03 0.00 0.31 0.00 0.00 61.69 61.52 3a22 s THR 510 Cb -0.25 -1.51 0.03 0.00 0.01 0.00 0.00 72.50 70.78 3a22 s THR 510 CO 0.32 0.50 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.95 3a22 s LEU 511 N 0.03 3.41 -0.17 4.42 1.02 -0.11 -0.49 118.68 126.78 3a22 s LEU 511 Ca -0.06 -0.90 -0.02 0.00 0.02 0.00 0.00 54.13 53.17 3a22 s LEU 511 Cb -0.14 -1.71 -0.01 0.00 0.02 0.00 0.00 46.19 44.36 3a22 s LEU 511 CO 0.04 -0.16 -0.10 0.00 0.02 0.00 0.00 176.35 176.15 3a22 s ALA 512 N 1.34 2.67 -0.12 4.21 0.00 0.23 -0.80 121.76 129.29 3a22 s ALA 512 Ca -0.00 -1.04 -0.01 0.00 0.00 0.00 0.00 51.96 50.91 3a22 s ALA 512 Cb -0.17 -1.41 -0.03 0.00 0.00 0.00 0.00 23.12 21.51 3a22 s ALA 512 CO -0.03 -0.09 -0.07 -0.51 0.00 0.00 0.00 175.76 175.06 3a22 s LEU 513 N 0.91 3.12 -0.09 0.00 1.43 0.65 -0.25 118.68 124.44 3a22 s LEU 513 Ca -0.02 -0.12 0.04 0.00 -1.03 0.00 0.00 54.13 53.00 3a22 s LEU 513 Cb -0.15 -1.72 -0.00 0.00 0.03 0.00 0.00 46.19 44.35 3a22 s LEU 513 CO -0.00 0.24 -0.24 -0.44 0.23 0.00 0.00 176.35 176.14 3a22 s SER 514 N -0.09 3.13 0.01 2.29 0.01 0.07 -4.71 113.70 114.42 3a22 s SER 514 Ca 0.01 -0.54 0.00 0.00 1.31 0.00 0.00 55.95 56.73 3a22 s SER 514 Cb -0.13 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.84 3a22 s SER 514 CO 0.03 0.18 0.00 0.61 0.41 0.00 0.00 173.24 174.47 3a22 n GLY 515 N 3.36 -1.45 3.42 3.44 0.00 -1.26 -0.93 105.19 111.78 3a22 n GLY 515 Ca -0.19 -1.52 0.03 0.00 0.00 0.00 0.00 46.02 44.35 3a22 n GLY 515 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3a22 n GLY 516 N -1.45 -2.00 3.74 -0.02 0.00 -0.99 -4.58 105.19 99.89 3a22 n GLY 516 Ca -0.00 -1.38 -0.35 0.00 0.00 0.00 0.00 46.02 44.29 3a22 n GLY 516 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3a22 s PRO 517 N -0.71 2.57 0.21 1.61 0.04 -1.26 -4.96 135.00 132.49 3a22 s PRO 517 Ca 0.00 1.70 -0.32 0.00 0.04 0.00 0.00 61.00 62.42 3a22 s PRO 517 Cb 0.00 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.53 3a22 s PRO 517 CO 0.00 -1.49 1.68 0.00 0.04 0.00 0.00 177.00 177.23 3a22 s ALA 518 N -1.94 3.90 0.19 8.56 0.00 -1.26 -5.00 121.76 126.21 3a22 s ALA 518 Ca 0.74 1.55 -0.05 0.00 0.00 0.00 0.00 51.96 54.20 3a22 s ALA 518 Cb -0.27 -3.68 -0.06 0.00 0.00 0.00 0.00 23.12 19.11 3a22 s ALA 518 CO 0.40 -0.90 0.43 0.95 0.00 0.00 0.00 175.76 176.64 3a22 s THR 519 N 1.07 5.12 -0.25 0.00 -4.23 -1.26 -3.95 115.64 112.14 3a22 s THR 519 Ca 0.73 0.04 0.10 0.00 -1.18 0.00 0.00 61.69 61.38 3a22 s THR 519 Cb -0.48 -3.65 0.45 0.00 1.34 0.00 0.00 72.50 70.15 3a22 s THR 519 CO 0.33 -0.06 1.31 -0.62 -0.54 0.00 0.00 174.62 175.04 3a22 n GLU 520 N -0.21 1.84 0.00 3.99 1.02 0.17 -4.33 120.64 123.13 3a22 n GLU 520 Ca -0.02 -3.34 0.00 0.00 -0.02 0.00 0.00 57.16 53.78 3a22 n GLU 520 Cb 0.52 -1.75 0.00 0.00 -0.02 0.00 0.00 31.44 30.20 3a22 n GLU 520 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3a22 n GLY 521 N -1.09 3.07 3.18 0.62 0.00 -1.26 -3.99 105.19 105.73 3a22 n GLY 521 Ca 0.26 -1.97 -0.18 0.00 0.00 0.00 0.00 46.02 44.14 3a22 n GLY 521 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3a22 s ILE 522 N -3.00 1.11 -0.08 -0.61 -4.36 -0.34 -1.39 121.20 112.52 3a22 s ILE 522 Ca 0.00 -1.42 0.04 0.00 -0.26 0.00 0.00 60.65 59.01 3a22 s ILE 522 Cb 0.00 -1.18 -0.01 0.00 1.25 0.00 0.00 42.46 42.52 3a22 s ILE 522 CO 0.00 -0.31 -0.22 -0.89 0.24 0.00 0.00 174.94 173.76 3a22 s THR 523 N -1.61 2.32 -0.12 8.37 2.01 -0.79 -0.50 115.64 125.33 3a22 s THR 523 Ca 0.01 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.09 3a22 s THR 523 Cb -0.08 -1.89 0.00 0.00 0.01 0.00 0.00 72.50 70.54 3a22 s THR 523 CO 0.02 0.56 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.60 3a22 s VAL 524 N 0.04 2.17 -0.03 3.82 1.01 -0.05 -1.17 120.40 126.18 3a22 s VAL 524 Ca -0.08 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 60.95 3a22 s VAL 524 Cb -0.15 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.39 3a22 s VAL 524 CO 0.05 0.55 -0.04 -0.13 0.00 0.00 0.00 175.10 175.53 3a22 s ARG 525 N 0.58 0.68 0.63 2.72 0.52 -0.39 -1.21 118.95 122.48 3a22 s ARG 525 Ca -0.12 -0.12 -0.13 0.00 -0.52 0.00 0.00 55.73 54.84 3a22 s ARG 525 Cb -0.17 -0.70 -0.03 0.00 0.52 0.00 0.00 34.95 34.58 3a22 s ARG 525 CO 0.04 -0.03 1.04 -1.25 0.02 0.00 0.00 175.30 175.12 3a22 s PRO 526 N 0.63 3.34 -0.64 3.54 0.04 -1.26 -0.55 135.00 140.11 3a22 s PRO 526 Ca -0.08 0.94 -0.01 0.00 0.04 0.00 0.00 61.00 61.89 3a22 s PRO 526 Cb -0.11 -2.04 0.16 0.00 0.04 0.00 0.00 34.50 32.54 3a22 s PRO 526 CO -0.00 -0.78 0.44 -0.51 0.04 0.00 0.00 177.00 176.19 3a22 s LEU 527 N -5.03 5.05 0.62 -3.56 1.43 -0.24 -4.46 118.68 112.49 3a22 s LEU 527 Ca 0.58 -3.04 0.40 0.00 -1.03 0.00 0.00 54.13 51.04 3a22 s LEU 527 Cb -0.13 -1.80 2.06 0.00 0.03 0.00 0.00 46.19 46.35 3a22 s LEU 527 CO 0.48 -0.30 2.25 -0.65 0.23 0.00 0.00 176.35 178.35 3a22 h PRO 528 N 6.72 0.00 -0.01 1.29 0.11 -1.72 -0.81 132.00 137.57 3a22 h PRO 528 Ca -0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3a22 h PRO 528 Cb 0.91 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3a22 h PRO 528 CO 0.72 0.01 0.03 0.78 -0.21 0.00 0.00 178.00 179.33 3a22 h GLY 529 N 0.61 0.00 -2.02 -0.55 0.00 -1.47 -2.20 103.07 97.44 3a22 h GLY 529 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3a22 h GLY 529 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 176.54 175.24 3a22 n THR 530 N -3.38 0.63 -1.90 4.70 -2.24 -0.31 -4.52 114.28 107.26 3a22 n THR 530 Ca -0.03 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.63 3a22 n THR 530 Cb 0.10 0.54 -0.01 0.00 -2.10 0.00 0.00 70.33 68.87 3a22 n THR 530 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 3a22 s ASN 531 N -1.21 6.49 0.00 3.42 0.01 -0.83 -4.26 114.94 118.56 3a22 s ASN 531 Ca 0.38 2.91 0.00 0.00 -0.71 0.00 0.00 52.86 55.44 3a22 s ASN 531 Cb 0.21 -2.65 0.00 0.00 0.41 0.00 0.00 41.25 39.21 3a22 s ASN 531 CO 0.28 -0.78 0.00 0.61 -1.51 0.00 0.00 177.10 175.70 3a22 n GLY 532 N 0.97 5.30 3.36 0.66 0.00 0.23 -4.63 105.19 111.08 3a22 n GLY 532 Ca 0.02 -1.35 -0.15 0.00 0.00 0.00 0.00 46.02 44.55 3a22 n GLY 532 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3a22 s ALA 533 N -2.00 -1.18 0.35 4.61 0.00 0.29 -3.86 121.76 119.97 3a22 s ALA 533 Ca 0.00 0.94 -0.26 0.00 0.00 0.00 0.00 51.96 52.63 3a22 s ALA 533 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 23.12 22.79 3a22 s ALA 533 CO 0.00 -0.28 1.12 -0.51 0.00 0.00 0.00 175.76 176.09 3a22 s LEU 534 N -0.75 4.31 -0.41 0.00 1.43 -0.38 -1.14 118.68 121.74 3a22 s LEU 534 Ca -0.08 2.25 -0.04 0.00 -1.03 0.00 0.00 54.13 55.23 3a22 s LEU 534 Cb -0.03 -3.91 0.11 0.00 0.03 0.00 0.00 46.19 42.38 3a22 s LEU 534 CO 0.05 -0.43 0.22 -0.69 0.23 0.00 0.00 176.35 175.72 3a22 s VAL 535 N -1.38 3.43 -0.19 -1.59 1.01 -1.26 -0.55 120.40 119.87 3a22 s VAL 535 Ca 0.52 -1.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.46 3a22 s VAL 535 Cb -0.29 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.74 3a22 s VAL 535 CO 0.37 -0.68 0.01 -0.89 0.00 0.00 0.00 175.10 173.91 3a22 s THR 536 N 1.18 4.19 0.19 3.92 2.01 0.64 -0.45 115.64 127.32 3a22 s THR 536 Ca 0.07 -0.24 -0.30 0.00 0.31 0.00 0.00 61.69 61.54 3a22 s THR 536 Cb -0.23 -2.88 -0.08 0.00 0.01 0.00 0.00 72.50 69.31 3a22 s THR 536 CO -0.03 0.44 1.15 -0.83 -0.69 0.00 0.00 174.62 174.66 3a22 s GLY 537 N 0.73 2.77 0.06 4.40 0.00 0.13 -0.34 107.32 115.06 3a22 s GLY 537 Ca 0.01 0.89 -0.26 0.00 0.00 0.00 0.00 44.72 45.37 3a22 s GLY 537 CO 0.02 1.76 1.58 1.70 0.00 0.00 0.00 173.10 178.15 3a22 h LYS 538 N 5.10 -0.23 -0.22 2.90 3.64 -1.29 0.92 116.57 127.39 3a22 h LYS 538 Ca -0.45 0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 58.93 3a22 h LYS 538 Cb 1.21 0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 33.08 3a22 h LYS 538 CO 0.73 -0.06 0.06 0.37 -2.27 0.00 0.00 179.45 178.29 3a22 h GLN 539 N -0.36 0.35 0.00 1.90 4.15 -1.75 -3.30 115.11 116.10 3a22 h GLN 539 Ca -0.02 -0.08 -0.22 0.00 0.77 0.00 0.00 58.65 59.10 3a22 h GLN 539 Cb 0.28 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 3a22 h GLN 539 CO 0.04 0.45 -1.30 0.66 -1.93 0.00 0.00 178.83 176.74 3a22 h SER 540 N 0.18 0.00 -0.31 -0.69 4.64 -1.87 -3.48 113.55 112.02 3a22 h SER 540 Ca 0.07 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.26 3a22 h SER 540 Cb 0.25 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.29 3a22 h SER 540 CO -0.00 0.84 -0.12 0.61 -0.87 0.00 0.00 176.83 177.29 3a22 n GLY 541 N 1.42 0.84 3.81 -0.77 0.00 0.32 -5.02 105.19 105.79 3a22 n GLY 541 Ca -0.08 -0.34 -0.22 0.00 0.00 0.00 0.00 46.02 45.38 3a22 n GLY 541 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3a22 s ARG 542 N -2.18 2.67 0.05 1.61 0.52 -1.25 -4.68 118.95 115.69 3a22 s ARG 542 Ca 0.00 -1.31 0.02 0.00 -0.52 0.00 0.00 55.73 53.92 3a22 s ARG 542 Cb 0.00 -2.41 -0.04 0.00 0.52 0.00 0.00 34.95 33.02 3a22 s ARG 542 CO 0.00 0.17 0.10 0.00 0.02 0.00 0.00 175.30 175.58 3a22 s ALA 544 N -1.34 3.73 -0.08 0.00 0.00 0.40 -1.79 121.76 122.68 3a22 s ALA 544 Ca 0.28 1.30 -0.07 0.00 0.00 0.00 0.00 51.96 53.46 3a22 s ALA 544 Cb -0.12 -3.63 0.02 0.00 0.00 0.00 0.00 23.12 19.39 3a22 s ALA 544 CO 0.20 -0.83 0.21 0.34 0.00 0.00 0.00 175.76 175.68 3a22 s ASP 545 N 1.43 -0.22 -0.25 0.00 -1.08 -0.27 -4.51 116.67 111.77 3a22 s ASP 545 Ca 0.70 0.43 -0.07 0.00 -0.52 0.00 0.00 52.55 53.09 3a22 s ASP 545 Cb -0.42 0.43 -0.03 0.00 -1.46 0.00 0.00 42.92 41.44 3a22 s ASP 545 CO 0.31 -0.08 0.08 -0.63 0.52 0.00 0.00 175.17 175.36 3a22 s ILE 546 N 0.25 4.39 -0.12 4.11 -1.09 -0.79 -1.59 121.20 126.36 3a22 s ILE 546 Ca -0.01 -0.15 -0.39 0.00 -2.23 0.00 0.00 60.65 57.88 3a22 s ILE 546 Cb -0.03 -3.05 -0.16 0.00 -1.58 0.00 0.00 42.46 37.64 3a22 s ILE 546 CO -0.01 0.34 1.56 0.00 -1.23 0.00 0.00 174.94 175.60 3a22 n TYR 547 N 4.84 1.80 -2.56 3.97 9.36 -1.26 -2.93 117.16 130.37 3a22 n TYR 547 Ca -0.16 0.59 -0.18 0.00 3.32 0.00 0.00 57.90 61.47 3a22 n TYR 547 Cb 0.51 -2.40 -0.00 0.00 -0.63 0.00 0.00 39.34 36.83 3a22 n TYR 547 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3a22 n ASN 548 N 4.08 -5.14 -2.73 2.98 4.05 -1.26 -1.55 115.26 115.70 3a22 n ASN 548 Ca 0.23 -0.01 -0.21 0.00 0.45 0.00 0.00 54.58 55.04 3a22 n ASN 548 Cb 0.15 -4.28 0.02 0.00 1.23 0.00 0.00 39.78 36.91 3a22 n ASN 548 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 3a22 n ASN 549 N -2.03 -5.96 -4.77 1.20 3.02 -1.15 -4.97 115.26 100.60 3a22 n ASN 549 Ca -0.18 -0.19 -0.39 0.00 -0.03 0.00 0.00 54.58 53.79 3a22 n ASN 549 Cb 0.64 -4.84 -0.02 0.00 -0.61 0.00 0.00 39.78 34.95 3a22 n ASN 549 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3a22 s THR 550 N -3.12 3.03 -0.37 3.41 2.01 -0.59 -4.96 115.64 115.05 3a22 s THR 550 Ca 0.19 0.89 0.04 0.00 0.31 0.00 0.00 61.69 63.13 3a22 s THR 550 Cb -0.09 -3.51 -0.00 0.00 0.01 0.00 0.00 72.50 68.91 3a22 s THR 550 CO 0.24 0.11 0.40 2.30 -0.69 0.00 0.00 174.62 176.98 3a22 n ILE 551 N 0.17 0.00 -1.73 1.82 -5.35 -1.26 -4.88 119.36 108.13 3a22 n ILE 551 Ca 0.04 -0.45 -0.42 0.00 -0.27 0.00 0.00 62.75 61.64 3a22 n ILE 551 Cb 0.45 1.05 -0.03 0.00 -1.74 0.00 0.00 39.64 39.37 3a22 n ILE 551 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 3a22 s THR 552 N -0.88 2.18 0.10 7.28 2.01 -1.26 -4.93 115.64 120.15 3a22 s THR 552 Ca 0.03 0.04 -0.36 0.00 0.31 0.00 0.00 61.69 61.71 3a22 s THR 552 Cb 0.03 -3.03 -0.17 0.00 0.01 0.00 0.00 72.50 69.35 3a22 s THR 552 CO 0.11 0.00 1.19 0.59 -0.69 0.00 0.00 174.62 175.83 3a22 n ASN 553 N 4.43 1.09 0.00 3.53 3.02 -1.26 -2.12 115.26 123.95 3a22 n ASN 553 Ca 0.16 1.13 0.00 0.00 -0.03 0.00 0.00 54.58 55.85 3a22 n ASN 553 Cb 0.36 -1.13 0.00 0.00 -0.61 0.00 0.00 39.78 38.40 3a22 n ASN 553 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 554 N 2.14 0.72 3.69 7.41 0.00 -0.26 -5.03 105.19 113.86 3a22 n GLY 554 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 3a22 n GLY 554 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3a22 s THR 555 N -2.60 3.60 0.05 2.61 2.01 -0.90 -4.79 115.64 115.62 3a22 s THR 555 Ca 0.00 0.98 -0.27 0.00 0.31 0.00 0.00 61.69 62.71 3a22 s THR 555 Cb 0.00 -3.63 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3a22 s THR 555 CO 0.00 -0.01 0.83 -1.58 -0.69 0.00 0.00 174.62 173.17 3a22 s GLN 556 N 2.56 4.55 0.60 4.92 0.74 -1.26 -1.18 119.66 130.58 3a22 s GLN 556 Ca 0.66 1.18 -0.19 0.00 0.05 0.00 0.00 55.36 57.06 3a22 s GLN 556 Cb -0.33 -3.38 -0.03 0.00 1.10 0.00 0.00 33.01 30.37 3a22 s GLN 556 CO 0.27 0.22 1.22 0.00 -0.55 0.00 0.00 175.29 176.45 3a22 s ALA 557 N 0.13 2.53 0.13 1.58 0.00 -0.33 -4.69 121.76 121.11 3a22 s ALA 557 Ca 0.42 1.04 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 3a22 s ALA 557 Cb -0.21 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.41 3a22 s ALA 557 CO 0.25 -1.21 0.09 -1.83 0.00 0.00 0.00 175.76 173.06 3a22 s GLU 558 N -3.33 0.96 0.23 0.00 -1.05 -0.62 -0.97 118.70 113.91 3a22 s GLU 558 Ca 0.78 -1.39 -0.30 0.00 -0.15 0.00 0.00 54.97 53.91 3a22 s GLU 558 Cb -0.31 0.26 -0.09 0.00 -0.44 0.00 0.00 34.13 33.56 3a22 s GLU 558 CO 0.34 -0.28 1.05 -0.51 0.95 0.00 0.00 175.26 176.81 3a22 s LEU 559 N -3.03 4.55 -0.01 1.83 1.43 0.68 -1.12 118.68 123.00 3a22 s LEU 559 Ca 0.23 2.10 -0.12 0.00 -1.03 0.00 0.00 54.13 55.31 3a22 s LEU 559 Cb 0.07 -3.61 0.02 0.00 0.03 0.00 0.00 46.19 42.69 3a22 s LEU 559 CO 0.01 -0.09 0.25 0.86 0.23 0.00 0.00 176.35 177.62 3a22 s TRP 560 N -0.79 -0.12 -0.07 0.29 -0.11 -0.74 -0.03 118.94 117.38 3a22 s TRP 560 Ca 0.45 0.16 -0.41 0.00 1.22 0.00 0.00 56.10 57.53 3a22 s TRP 560 Cb -0.29 0.05 -0.20 0.00 -1.50 0.00 0.00 33.47 31.53 3a22 s TRP 560 CO 0.36 -0.35 1.16 -0.25 -4.62 0.00 0.00 176.95 173.26 3a22 n ASP 561 N 1.40 0.27 -4.70 5.86 8.00 -1.26 -0.97 116.55 125.15 3a22 n ASP 561 Ca -0.22 1.16 -0.42 0.00 0.71 0.00 0.00 54.79 56.02 3a22 n ASP 561 Cb 0.56 -0.93 -0.03 0.00 -0.02 0.00 0.00 41.12 40.70 3a22 n ASP 561 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a22 n ASN 563 N 4.69 0.01 -0.02 0.00 0.23 -1.26 -4.80 115.26 114.11 3a22 n ASN 563 Ca 0.14 -0.07 -0.00 0.00 -0.53 0.00 0.00 54.58 54.12 3a22 n ASN 563 Cb 0.41 0.14 -0.00 0.00 -2.08 0.00 0.00 39.78 38.25 3a22 n ASN 563 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a22 n GLY 564 N 0.14 0.47 3.64 4.83 0.00 -1.26 -4.52 105.19 108.49 3a22 n GLY 564 Ca 0.00 -0.17 -0.29 0.00 0.00 0.00 0.00 46.02 45.56 3a22 n GLY 564 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3a22 s GLY 565 N -2.16 1.57 0.47 -0.02 0.00 -1.26 -3.61 107.32 102.31 3a22 s GLY 565 Ca 0.00 -0.60 0.21 0.00 0.00 0.00 0.00 44.72 44.32 3a22 s GLY 565 CO 0.00 0.12 1.99 -2.55 0.00 0.00 0.00 173.10 172.66 3a22 h PRO 566 N -2.18 0.00 0.00 2.90 0.11 -1.95 -1.53 132.00 129.35 3a22 h PRO 566 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3a22 h PRO 566 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3a22 h PRO 566 CO 0.49 0.19 0.00 0.27 -0.21 0.00 0.00 178.00 178.74 3a22 n ASN 567 N -3.93 0.00 0.00 -2.05 6.94 -1.26 -3.09 115.26 111.87 3a22 n ASN 567 Ca -0.02 -1.85 0.00 0.00 -0.02 0.00 0.00 54.58 52.69 3a22 n ASN 567 Cb 0.28 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.70 3a22 n ASN 567 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a22 n GLN 568 N -0.50 -0.16 -3.40 -3.83 6.02 -0.58 -1.88 117.38 113.04 3a22 n GLN 568 Ca 0.00 -0.20 -0.44 0.00 -0.01 0.00 0.00 57.00 56.35 3a22 n GLN 568 Cb 0.00 -0.68 -0.06 0.00 1.02 0.00 0.00 30.24 30.52 3a22 n GLN 568 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3a22 s SER 569 N -0.03 6.11 -0.21 1.08 0.15 -1.17 -4.23 113.70 115.40 3a22 s SER 569 Ca 0.00 -2.04 -0.13 0.00 0.70 0.00 0.00 55.95 54.48 3a22 s SER 569 Cb 0.00 -2.14 -0.04 0.00 -1.71 0.00 0.00 66.02 62.13 3a22 s SER 569 CO 0.00 -0.74 0.28 0.26 1.20 0.00 0.00 173.24 174.24 3a22 s TRP 570 N 1.20 3.37 -0.30 3.44 0.52 -0.29 -4.51 118.94 122.36 3a22 s TRP 570 Ca 0.07 0.46 -0.11 0.00 0.02 0.00 0.00 56.10 56.53 3a22 s TRP 570 Cb -0.25 -2.38 -0.04 0.00 -1.15 0.00 0.00 33.47 29.65 3a22 s TRP 570 CO -0.00 0.08 0.20 0.99 0.02 0.00 0.00 176.95 178.23 3a22 s THR 571 N 1.02 5.26 -0.27 2.01 2.01 -0.13 -0.55 115.64 124.99 3a22 s THR 571 Ca 0.14 0.03 -0.22 0.00 0.31 0.00 0.00 61.69 61.95 3a22 s THR 571 Cb -0.14 -3.57 -0.01 0.00 0.01 0.00 0.00 72.50 68.79 3a22 s THR 571 CO 0.05 0.17 0.71 -0.47 -0.69 0.00 0.00 174.62 174.39 3a22 s TYR 572 N 1.74 3.26 0.43 4.92 5.04 -1.26 -0.90 117.35 130.59 3a22 s TYR 572 Ca 0.07 0.86 0.05 0.00 -2.44 0.00 0.00 57.07 55.61 3a22 s TYR 572 Cb -0.16 -2.99 0.01 0.00 0.35 0.00 0.00 41.96 39.16 3a22 s TYR 572 CO 0.11 -0.42 0.61 0.95 -1.34 0.00 0.00 175.55 175.46 3a22 s THR 573 N 2.70 3.28 -0.19 4.34 -4.23 -0.39 -4.95 115.64 116.20 3a22 s THR 573 Ca 0.29 -0.86 0.27 0.00 -1.18 0.00 0.00 61.69 60.21 3a22 s THR 573 Cb -0.15 -3.15 0.28 0.00 1.34 0.00 0.00 72.50 70.82 3a22 s THR 573 CO 0.09 -0.07 1.81 0.77 -0.54 0.00 0.00 174.62 176.68 3a22 h SER 574 N 0.54 0.00 -0.19 3.99 4.64 -1.92 0.08 113.55 120.67 3a22 h SER 574 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 3a22 h SER 574 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3a22 h SER 574 CO 0.50 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.00 3a22 n ARG 575 N -2.47 1.67 -1.22 4.77 1.74 -1.26 -4.92 116.66 114.97 3a22 n ARG 575 Ca 0.00 -1.01 -0.07 0.00 -0.77 0.00 0.00 57.85 56.00 3a22 n ARG 575 Cb 0.17 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.24 3a22 n ARG 575 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3a22 n LYS 576 N 0.25 -0.74 -2.87 5.56 5.02 0.01 -4.82 118.16 120.57 3a22 n LYS 576 Ca 0.14 0.70 -0.32 0.00 -2.02 0.00 0.00 58.31 56.82 3a22 n LYS 576 Cb 0.29 -4.56 -0.05 0.00 -0.02 0.00 0.00 35.03 30.69 3a22 n LYS 576 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3a22 s GLU 577 N -2.38 3.96 -0.32 1.97 2.02 -1.26 -0.24 118.70 122.45 3a22 s GLU 577 Ca 0.00 0.73 -0.03 0.00 0.02 0.00 0.00 54.97 55.69 3a22 s GLU 577 Cb 0.00 -2.33 0.05 0.00 0.10 0.00 0.00 34.13 31.96 3a22 s GLU 577 CO 0.00 -0.01 0.03 -0.51 0.02 0.00 0.00 175.26 174.80 3a22 s LEU 578 N -3.47 4.08 -0.14 1.80 1.43 -1.26 -1.26 118.68 119.86 3a22 s LEU 578 Ca 0.55 -1.32 -0.05 0.00 -1.03 0.00 0.00 54.13 52.29 3a22 s LEU 578 Cb -0.10 -1.75 -0.03 0.00 0.03 0.00 0.00 46.19 44.34 3a22 s LEU 578 CO 0.23 -0.29 0.02 -0.69 0.23 0.00 0.00 176.35 175.85 3a22 s VAL 579 N 1.26 4.46 -0.01 -1.59 1.01 -0.08 -0.90 120.40 124.56 3a22 s VAL 579 Ca -0.03 -0.17 0.05 0.00 0.00 0.00 0.00 61.98 61.83 3a22 s VAL 579 Cb -0.20 -2.95 -0.03 0.00 0.00 0.00 0.00 36.38 33.20 3a22 s VAL 579 CO -0.01 0.53 -0.14 -0.22 0.00 0.00 0.00 175.10 175.26 3a22 s LEU 580 N -0.15 2.79 -0.45 3.92 2.96 0.10 -0.96 118.68 126.90 3a22 s LEU 580 Ca 0.06 -0.26 0.00 0.00 -0.22 0.00 0.00 54.13 53.71 3a22 s LEU 580 Cb -0.12 -1.60 0.00 0.00 0.50 0.00 0.00 46.19 44.96 3a22 s LEU 580 CO 0.02 0.30 0.00 -1.22 -1.32 0.00 0.00 176.35 174.13 3a22 n TYR 581 N 1.89 0.00 -0.53 5.38 4.01 -1.26 -1.27 117.16 125.37 3a22 n TYR 581 Ca -0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.58 3a22 n TYR 581 Cb 0.52 -2.04 0.00 0.00 -0.31 0.00 0.00 39.34 37.51 3a22 n TYR 581 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3a22 n GLY 582 N 0.16 1.57 0.00 2.72 0.00 -1.26 -4.77 105.19 103.60 3a22 n GLY 582 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3a22 n GLY 582 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3a22 n ASN 583 N 0.00 0.00 -4.14 1.61 0.23 -0.85 -5.04 115.26 107.07 3a22 n ASN 583 Ca 0.00 -1.00 -0.26 0.00 -0.53 0.00 0.00 54.58 52.79 3a22 n ASN 583 Cb 0.00 0.00 -0.16 0.00 -2.08 0.00 0.00 39.78 37.54 3a22 n ASN 583 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 3a22 s LYS 584 N 0.00 1.74 -0.12 -3.83 -0.14 -0.40 -4.25 119.74 112.75 3a22 s LYS 584 Ca 0.00 -0.61 -0.03 0.00 -1.36 0.00 0.00 55.97 53.96 3a22 s LYS 584 Cb 0.00 -1.53 -0.03 0.00 -1.68 0.00 0.00 37.83 34.58 3a22 s LYS 584 CO 0.00 0.26 0.01 0.00 -0.76 0.00 0.00 175.35 174.86 3a22 s LEU 586 N -0.40 4.37 -0.11 0.00 2.96 -0.08 -0.95 118.68 124.47 3a22 s LEU 586 Ca 0.08 2.74 -0.06 0.00 -0.22 0.00 0.00 54.13 56.67 3a22 s LEU 586 Cb -0.12 -3.61 0.05 0.00 0.50 0.00 0.00 46.19 43.01 3a22 s LEU 586 CO 0.02 -0.84 0.27 -0.62 -1.32 0.00 0.00 176.35 173.85 3a22 s ASP 587 N 0.84 -0.28 -0.43 3.68 -1.08 0.14 -4.50 116.67 115.04 3a22 s ASP 587 Ca 0.67 0.57 -0.26 0.00 -0.52 0.00 0.00 52.55 53.01 3a22 s ASP 587 Cb -0.45 0.46 0.02 0.00 -1.46 0.00 0.00 42.92 41.49 3a22 s ASP 587 CO 0.37 -0.17 0.96 0.00 0.52 0.00 0.00 175.17 176.86 3a22 s ALA 588 N 1.30 3.29 0.21 3.66 0.00 -0.51 -0.66 121.76 129.05 3a22 s ALA 588 Ca -0.09 -0.61 -0.32 0.00 0.00 0.00 0.00 51.96 50.94 3a22 s ALA 588 Cb -0.10 -3.65 -0.13 0.00 0.00 0.00 0.00 23.12 19.24 3a22 s ALA 588 CO -0.09 -1.92 1.63 0.98 0.00 0.00 0.00 175.76 176.35 3a22 n TYR 589 N 7.14 2.56 -3.75 0.00 9.36 -0.19 -1.64 117.16 130.65 3a22 n TYR 589 Ca 0.08 0.18 -0.29 0.00 3.32 0.00 0.00 57.90 61.19 3a22 n TYR 589 Cb 0.48 -2.60 -0.01 0.00 -0.63 0.00 0.00 39.34 36.58 3a22 n TYR 589 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 3a22 n ASN 590 N 3.35 -3.53 -3.76 2.98 5.15 -1.26 -1.56 115.26 116.63 3a22 n ASN 590 Ca 0.15 -0.66 -0.29 0.00 -0.60 0.00 0.00 54.58 53.18 3a22 n ASN 590 Cb 0.33 -2.91 0.02 0.00 -0.53 0.00 0.00 39.78 36.69 3a22 n ASN 590 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 3a22 n LEU 591 N -4.03 -2.36 -4.77 1.20 4.32 -0.65 -4.92 117.00 105.79 3a22 n LEU 591 Ca 0.03 -0.68 -0.40 0.00 -0.02 0.00 0.00 56.01 54.94 3a22 n LEU 591 Cb 0.51 -2.50 -0.00 0.00 -1.62 0.00 0.00 43.42 39.81 3a22 n LEU 591 CO 0.67 0.39 1.01 -0.83 -1.22 0.00 0.00 177.39 177.41 3a22 s GLY 592 N -3.15 2.93 0.00 -0.72 0.00 -0.60 -4.93 107.32 100.85 3a22 s GLY 592 Ca 0.60 1.33 0.00 0.00 0.00 0.00 0.00 44.72 46.65 3a22 s GLY 592 CO 0.74 1.94 0.85 -1.30 0.00 0.00 0.00 173.10 175.33 3a22 n THR 593 N 0.17 0.72 -4.46 0.90 -2.24 -1.26 -4.84 114.28 103.27 3a22 n THR 593 Ca 0.03 -0.73 -0.24 0.00 -2.27 0.00 0.00 64.05 60.84 3a22 n THR 593 Cb 0.42 0.65 -0.10 0.00 -2.10 0.00 0.00 70.33 69.20 3a22 n THR 593 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 3a22 s THR 594 N -0.72 2.35 -0.11 4.28 -4.23 -1.26 -4.95 115.64 110.99 3a22 s THR 594 Ca 0.00 -2.36 -0.40 0.00 -1.18 0.00 0.00 61.69 57.75 3a22 s THR 594 Cb 0.00 -2.32 -0.18 0.00 1.34 0.00 0.00 72.50 71.34 3a22 s THR 594 CO 0.00 -0.40 1.36 0.59 -0.54 0.00 0.00 174.62 175.64 3a22 n ASN 595 N -0.61 1.11 0.00 3.99 3.02 -1.26 -1.93 115.26 119.58 3a22 n ASN 595 Ca -0.05 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.64 3a22 n ASN 595 Cb 0.61 -1.03 0.00 0.00 -0.61 0.00 0.00 39.78 38.74 3a22 n ASN 595 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 596 N 2.72 0.51 3.66 7.41 0.00 0.60 -5.01 105.19 115.08 3a22 n GLY 596 Ca 0.23 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.78 3a22 n GLY 596 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a22 n THR 597 N -2.00 0.37 -2.43 2.61 -1.04 -0.81 -4.71 114.28 106.27 3a22 n THR 597 Ca 0.00 -0.09 -0.40 0.00 -2.04 0.00 0.00 64.05 61.51 3a22 n THR 597 Cb 0.00 -1.41 -0.04 0.00 -1.82 0.00 0.00 70.33 67.06 3a22 n THR 597 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 3a22 s LYS 598 N 0.35 4.60 -0.24 -2.82 1.02 -1.26 -0.64 119.74 120.74 3a22 s LYS 598 Ca 0.75 1.86 -0.08 0.00 0.02 0.00 0.00 55.97 58.52 3a22 s LYS 598 Cb -0.70 -3.17 -0.04 0.00 -0.52 0.00 0.00 37.83 33.40 3a22 s LYS 598 CO 0.43 0.16 0.10 0.08 -0.92 0.00 0.00 175.35 175.20 3a22 s VAL 599 N -1.16 4.67 0.37 3.17 1.01 -0.97 -1.02 120.40 126.47 3a22 s VAL 599 Ca 0.45 -0.06 0.03 0.00 0.00 0.00 0.00 61.98 62.41 3a22 s VAL 599 Cb -0.33 -3.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3a22 s VAL 599 CO 0.43 0.34 0.10 0.68 0.00 0.00 0.00 175.10 176.65 3a22 s VAL 600 N 1.39 0.81 0.04 2.92 -7.23 0.16 -1.18 120.40 117.31 3a22 s VAL 600 Ca 0.06 -2.00 -0.07 0.00 -1.81 0.00 0.00 61.98 58.15 3a22 s VAL 600 Cb -0.15 -2.52 -0.05 0.00 0.56 0.00 0.00 36.38 34.22 3a22 s VAL 600 CO 0.05 0.00 0.32 0.27 -0.31 0.00 0.00 175.10 175.43 3a22 s ILE 601 N -3.28 5.22 0.05 -0.62 -4.36 -0.33 -0.68 121.20 117.20 3a22 s ILE 601 Ca 0.29 0.25 -0.12 0.00 -0.26 0.00 0.00 60.65 60.81 3a22 s ILE 601 Cb 0.05 -3.60 0.01 0.00 1.25 0.00 0.00 42.46 40.17 3a22 s ILE 601 CO 0.15 0.31 0.27 0.86 0.24 0.00 0.00 174.94 176.77 3a22 s TRP 602 N -1.36 -0.04 0.24 1.37 -0.11 -0.12 -1.10 118.94 117.81 3a22 s TRP 602 Ca 0.30 -0.14 -0.31 0.00 1.22 0.00 0.00 56.10 57.17 3a22 s TRP 602 Cb -0.13 0.05 -0.14 0.00 -1.50 0.00 0.00 33.47 31.75 3a22 s TRP 602 CO 0.18 -0.49 1.30 -0.25 -4.62 0.00 0.00 176.95 173.07 3a22 n ASP 603 N 0.55 2.28 -4.72 5.86 8.00 -1.26 0.73 116.55 127.99 3a22 n ASP 603 Ca -0.18 1.15 -0.42 0.00 0.71 0.00 0.00 54.79 56.05 3a22 n ASP 603 Cb 0.60 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.30 3a22 n ASP 603 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3a22 n ASN 605 N 3.61 0.65 0.00 0.00 0.23 -1.26 -5.02 115.26 113.47 3a22 n ASN 605 Ca 0.11 -1.23 0.00 0.00 -0.53 0.00 0.00 54.58 52.92 3a22 n ASN 605 Cb 0.42 0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.12 3a22 n ASN 605 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3a22 n GLY 606 N -0.12 0.72 3.85 4.83 0.00 -1.26 -5.01 105.19 108.21 3a22 n GLY 606 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 3a22 n GLY 606 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3a22 s GLN 607 N -0.21 3.48 0.53 1.61 -0.21 -1.26 -4.98 119.66 118.63 3a22 s GLN 607 Ca 0.00 0.84 0.23 0.00 0.02 0.00 0.00 55.36 56.45 3a22 s GLN 607 Cb 0.00 -2.06 1.45 0.00 1.00 0.00 0.00 33.01 33.40 3a22 s GLN 607 CO 0.00 -0.66 2.14 0.00 -2.12 0.00 0.00 175.29 174.64 3a22 h ALA 608 N -0.24 1.60 0.00 6.09 0.00 -1.95 -1.82 119.26 122.93 3a22 h ALA 608 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3a22 h ALA 608 Cb 1.19 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3a22 h ALA 608 CO 0.61 0.09 0.00 0.27 0.00 0.00 0.00 179.25 180.21 3a22 n ASN 609 N -4.04 0.00 -0.89 0.00 6.94 -1.26 -1.92 115.26 114.09 3a22 n ASN 609 Ca -0.03 -0.19 0.08 0.00 -0.02 0.00 0.00 54.58 54.42 3a22 n ASN 609 Cb 0.15 -0.23 0.21 0.00 -2.36 0.00 0.00 39.78 37.55 3a22 n ASN 609 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a22 n GLN 610 N -1.23 2.71 -4.34 -3.83 6.02 -0.69 -1.42 117.38 114.61 3a22 n GLN 610 Ca 0.13 -2.22 -0.34 0.00 -0.01 0.00 0.00 57.00 54.55 3a22 n GLN 610 Cb 0.17 -1.37 -0.09 0.00 1.02 0.00 0.00 30.24 29.96 3a22 n GLN 610 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3a22 s LYS 611 N -1.02 2.90 -0.01 -1.09 1.02 -0.81 -4.18 119.74 116.55 3a22 s LYS 611 Ca 0.32 -0.50 0.01 0.00 0.02 0.00 0.00 55.97 55.83 3a22 s LYS 611 Cb 0.17 -2.74 0.00 0.00 -0.52 0.00 0.00 37.83 34.74 3a22 s LYS 611 CO 0.22 0.67 -0.04 -1.58 -0.92 0.00 0.00 175.35 173.70 3a22 s TRP 612 N -0.97 0.45 -0.22 3.18 0.52 0.66 -1.03 118.94 121.53 3a22 s TRP 612 Ca 0.16 -0.08 -0.09 0.00 0.02 0.00 0.00 56.10 56.10 3a22 s TRP 612 Cb -0.11 -0.33 -0.05 0.00 -1.15 0.00 0.00 33.47 31.83 3a22 s TRP 612 CO 0.06 -0.04 0.12 -0.80 0.02 0.00 0.00 176.95 176.31 3a22 s ASN 613 N 0.09 5.94 -0.51 2.95 0.01 0.50 -4.80 114.94 119.12 3a22 s ASN 613 Ca -0.01 0.11 -0.18 0.00 -0.71 0.00 0.00 52.86 52.08 3a22 s ASN 613 Cb -0.04 -2.05 0.07 0.00 0.41 0.00 0.00 41.25 39.64 3a22 s ASN 613 CO -0.00 0.11 0.55 -0.63 -1.51 0.00 0.00 177.10 175.62 3a22 s ILE 614 N 0.75 5.02 0.23 0.60 1.01 -1.26 -1.21 121.20 126.33 3a22 s ILE 614 Ca 0.06 -0.83 -0.01 0.00 0.00 0.00 0.00 60.65 59.88 3a22 s ILE 614 Cb -0.13 -4.27 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 3a22 s ILE 614 CO 0.02 -0.77 0.42 0.20 0.00 0.00 0.00 174.94 174.81 3a22 s ASN 615 N 2.84 6.38 0.52 3.58 0.01 -0.50 -4.99 114.94 122.78 3a22 s ASN 615 Ca 0.10 0.42 0.17 0.00 -0.71 0.00 0.00 52.86 52.84 3a22 s ASN 615 Cb -0.22 -2.02 1.27 0.00 0.41 0.00 0.00 41.25 40.69 3a22 s ASN 615 CO 0.09 -0.08 2.14 0.77 -1.51 0.00 0.00 177.10 178.50 3a22 h SER 616 N 1.81 0.00 -0.03 -1.22 4.64 -1.97 -1.53 113.55 115.25 3a22 h SER 616 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3a22 h SER 616 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3a22 h SER 616 CO 0.67 0.02 0.00 -0.90 -0.87 0.00 0.00 176.83 175.75 3a22 n ASP 617 N -4.48 0.34 0.00 4.97 5.75 -1.26 -4.87 116.55 117.00 3a22 n ASP 617 Ca -0.03 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.26 3a22 n ASP 617 Cb 0.11 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.17 3a22 n ASP 617 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3a22 n GLY 618 N 0.85 0.68 3.86 6.12 0.00 -0.57 -4.94 105.19 111.19 3a22 n GLY 618 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 3a22 n GLY 618 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3a22 s THR 619 N -2.31 4.66 -0.23 2.61 -4.23 -1.25 -0.29 115.64 114.60 3a22 s THR 619 Ca 0.00 0.92 0.02 0.00 -1.18 0.00 0.00 61.69 61.44 3a22 s THR 619 Cb 0.00 -3.75 0.05 0.00 1.34 0.00 0.00 72.50 70.14 3a22 s THR 619 CO 0.00 -0.71 -0.10 -0.63 -0.54 0.00 0.00 174.62 172.64 3a22 s ILE 620 N -2.63 1.82 -0.01 2.99 1.01 -1.26 -1.40 121.20 121.71 3a22 s ILE 620 Ca 0.55 -1.29 0.01 0.00 0.00 0.00 0.00 60.65 59.93 3a22 s ILE 620 Cb -0.10 -1.95 -0.04 0.00 0.01 0.00 0.00 42.46 40.39 3a22 s ILE 620 CO 0.35 0.04 -0.01 0.42 0.00 0.00 0.00 174.94 175.75 3a22 s THR 621 N 1.29 4.11 -0.08 2.92 -4.23 -0.35 -0.44 115.64 118.86 3a22 s THR 621 Ca -0.05 -0.59 -0.27 0.00 -1.18 0.00 0.00 61.69 59.59 3a22 s THR 621 Cb -0.18 -2.82 -0.02 0.00 1.34 0.00 0.00 72.50 70.81 3a22 s THR 621 CO -0.07 0.40 0.89 0.21 -0.54 0.00 0.00 174.62 175.51 3a22 s ASN 622 N -1.49 7.16 0.32 3.99 3.84 0.07 -0.37 114.94 128.46 3a22 s ASN 622 Ca 0.19 1.41 0.01 0.00 0.21 0.00 0.00 52.86 54.68 3a22 s ASN 622 Cb -0.11 -2.51 0.54 0.00 -0.55 0.00 0.00 41.25 38.62 3a22 s ASN 622 CO 0.09 -0.31 1.96 0.58 -2.79 0.00 0.00 177.10 176.63 3a22 h VAL 623 N 4.96 1.19 -0.17 -5.21 2.07 -1.22 0.27 116.25 118.14 3a22 h VAL 623 Ca -0.36 -0.45 0.05 0.00 0.82 0.00 0.00 66.70 66.77 3a22 h VAL 623 Cb 1.17 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 3a22 h VAL 623 CO 0.80 0.20 -0.24 -1.13 0.02 0.00 0.00 177.57 177.22 3a22 h ASN 624 N 0.89 -0.76 0.00 0.57 -1.24 -1.78 -3.31 115.58 109.95 3a22 h ASN 624 Ca 0.23 0.13 0.00 0.00 0.71 0.00 0.00 56.30 57.37 3a22 h ASN 624 Cb -0.00 0.34 0.00 0.00 0.73 0.00 0.00 38.32 39.39 3a22 h ASN 624 CO -0.04 -0.29 0.00 0.00 -1.29 0.00 0.00 177.43 175.81 3a22 n ALA 625 N -2.75 1.45 -1.02 1.57 0.00 -1.21 -5.02 120.51 113.53 3a22 n ALA 625 Ca -0.02 -0.69 -0.01 0.00 0.00 0.00 0.00 53.44 52.72 3a22 n ALA 625 Cb 0.29 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.73 3a22 n ALA 625 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3a22 n GLY 626 N -0.22 0.47 3.85 0.00 0.00 0.95 -5.02 105.19 105.22 3a22 n GLY 626 Ca 0.00 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 3a22 n GLY 626 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3a22 s LEU 627 N -0.18 3.46 0.15 0.99 1.43 -1.25 -4.72 118.68 118.56 3a22 s LEU 627 Ca 0.00 1.55 -0.19 0.00 -1.03 0.00 0.00 54.13 54.46 3a22 s LEU 627 Cb 0.00 -4.50 -0.07 0.00 0.03 0.00 0.00 46.19 41.65 3a22 s LEU 627 CO 0.00 -0.78 0.64 0.00 0.23 0.00 0.00 176.35 176.44 3a22 s LEU 629 N -1.54 4.37 -0.08 0.00 2.96 0.42 -1.40 118.68 123.41 3a22 s LEU 629 Ca 0.36 2.65 -0.04 0.00 -0.22 0.00 0.00 54.13 56.88 3a22 s LEU 629 Cb -0.18 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.96 3a22 s LEU 629 CO 0.21 -0.86 0.19 -0.62 -1.32 0.00 0.00 176.35 173.94 3a22 s ASP 630 N 1.31 -0.17 -0.37 3.68 -1.08 -0.33 -4.45 116.67 115.26 3a22 s ASP 630 Ca 0.71 0.39 -0.25 0.00 -0.52 0.00 0.00 52.55 52.88 3a22 s ASP 630 Cb -0.44 0.27 0.01 0.00 -1.46 0.00 0.00 42.92 41.31 3a22 s ASP 630 CO 0.32 -0.16 0.89 0.00 0.52 0.00 0.00 175.17 176.74 3a22 s ALA 631 N 1.20 3.41 0.17 3.66 0.00 -0.47 -0.96 121.76 128.77 3a22 s ALA 631 Ca -0.09 -0.51 -0.32 0.00 0.00 0.00 0.00 51.96 51.04 3a22 s ALA 631 Cb -0.11 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.40 3a22 s ALA 631 CO -0.07 -1.59 1.77 -0.47 0.00 0.00 0.00 175.76 175.40 3a22 s TYR 632 N 3.40 2.56 -1.40 0.00 5.04 -0.31 -1.69 117.35 124.95 3a22 s TYR 632 Ca 0.36 0.18 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 3a22 s TYR 632 Cb -0.12 -4.16 0.00 0.00 0.35 0.00 0.00 41.96 38.03 3a22 s TYR 632 CO 0.19 -4.57 0.00 0.09 -1.34 0.00 0.00 175.55 169.91 3a22 n ASN 633 N 4.75 -4.92 -2.33 4.32 3.02 -1.26 -2.72 115.26 116.11 3a22 n ASN 633 Ca 0.17 0.33 -0.17 0.00 -0.03 0.00 0.00 54.58 54.88 3a22 n ASN 633 Cb 0.36 -3.59 -0.01 0.00 -0.61 0.00 0.00 39.78 35.93 3a22 n ASN 633 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3a22 n ALA 634 N 1.25 -0.65 -1.69 5.41 0.00 -0.68 -4.99 120.51 119.15 3a22 n ALA 634 Ca -0.13 0.15 -0.32 0.00 0.00 0.00 0.00 53.44 53.13 3a22 n ALA 634 Cb 0.49 -1.85 0.01 0.00 0.00 0.00 0.00 19.45 18.10 3a22 n ALA 634 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3a22 s ALA 635 N -2.80 2.80 0.00 0.00 0.00 -1.10 -5.00 121.76 115.66 3a22 s ALA 635 Ca 0.00 0.30 0.00 0.00 0.00 0.00 0.00 51.96 52.26 3a22 s ALA 635 Cb 0.00 -3.20 0.00 0.00 0.00 0.00 0.00 23.12 19.92 3a22 s ALA 635 CO 0.00 -0.76 0.16 0.25 0.00 0.00 0.00 175.76 175.41 3a22 n THR 636 N -2.12 0.00 -1.75 0.00 -2.24 -1.26 -4.77 114.28 102.14 3a22 n THR 636 Ca 0.08 -0.43 -0.31 0.00 -2.27 0.00 0.00 64.05 61.12 3a22 n THR 636 Cb 0.53 1.05 0.03 0.00 -2.10 0.00 0.00 70.33 69.84 3a22 n THR 636 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3a22 s ALA 637 N -0.54 2.82 0.12 6.98 0.00 -1.26 -4.85 121.76 125.03 3a22 s ALA 637 Ca 0.00 0.08 -0.35 0.00 0.00 0.00 0.00 51.96 51.69 3a22 s ALA 637 Cb 0.00 -3.15 -0.16 0.00 0.00 0.00 0.00 23.12 19.81 3a22 s ALA 637 CO 0.00 -0.98 1.36 0.09 0.00 0.00 0.00 175.76 176.23 3a22 n ASN 638 N -2.81 1.95 0.00 0.00 3.02 -1.26 -2.21 115.26 113.94 3a22 n ASN 638 Ca 0.07 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.74 3a22 n ASN 638 Cb 0.54 -1.26 0.00 0.00 -0.61 0.00 0.00 39.78 38.45 3a22 n ASN 638 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3a22 n GLY 639 N 2.60 0.54 3.68 7.41 0.00 0.96 -5.00 105.19 115.39 3a22 n GLY 639 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 3a22 n GLY 639 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3a22 n THR 640 N -2.00 0.42 -2.33 2.61 -1.04 -0.94 -4.73 114.28 106.26 3a22 n THR 640 Ca 0.00 -0.07 -0.39 0.00 -2.04 0.00 0.00 64.05 61.54 3a22 n THR 640 Cb 0.00 -2.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.47 3a22 n THR 640 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 3a22 s SER 641 N 3.00 6.88 -0.13 8.00 0.01 -1.26 -0.23 113.70 129.96 3a22 s SER 641 Ca 0.85 2.38 -0.12 0.00 1.31 0.00 0.00 55.95 60.37 3a22 s SER 641 Cb -0.55 -2.63 -0.05 0.00 0.21 0.00 0.00 66.02 63.00 3a22 s SER 641 CO 0.41 -0.43 0.27 -0.76 0.41 0.00 0.00 173.24 173.14 3a22 s LEU 642 N -1.94 4.30 0.34 2.44 1.43 -0.14 -1.16 118.68 123.95 3a22 s LEU 642 Ca 0.50 0.55 0.05 0.00 -1.03 0.00 0.00 54.13 54.20 3a22 s LEU 642 Cb -0.33 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.53 3a22 s LEU 642 CO 0.42 0.20 0.19 0.68 0.23 0.00 0.00 176.35 178.07 3a22 s VAL 643 N -0.07 0.28 -0.02 -1.59 -7.23 -0.14 -2.28 120.40 109.35 3a22 s VAL 643 Ca 0.17 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.25 3a22 s VAL 643 Cb -0.13 -2.46 -0.05 0.00 0.56 0.00 0.00 36.38 34.30 3a22 s VAL 643 CO 0.05 0.00 0.27 -0.76 -0.31 0.00 0.00 175.10 174.35 3a22 s LEU 644 N -3.43 4.39 -0.03 1.32 1.43 0.18 -1.19 118.68 121.37 3a22 s LEU 644 Ca 0.34 0.63 -0.18 0.00 -1.03 0.00 0.00 54.13 53.89 3a22 s LEU 644 Cb 0.03 -2.53 0.03 0.00 0.03 0.00 0.00 46.19 43.76 3a22 s LEU 644 CO 0.20 0.30 0.39 0.86 0.23 0.00 0.00 176.35 178.33 3a22 s TRP 645 N -1.20 -0.28 0.21 0.29 -0.11 -0.50 -0.29 118.94 117.07 3a22 s TRP 645 Ca 0.24 0.46 -0.32 0.00 1.22 0.00 0.00 56.10 57.70 3a22 s TRP 645 Cb -0.14 0.16 -0.14 0.00 -1.50 0.00 0.00 33.47 31.85 3a22 s TRP 645 CO 0.13 -0.43 1.35 0.45 -4.62 0.00 0.00 176.95 173.82 3a22 n SER 646 N 1.25 2.36 -4.74 5.86 2.88 -1.26 -1.23 113.62 118.74 3a22 n SER 646 Ca -0.21 1.14 -0.41 0.00 -1.33 0.00 0.00 58.87 58.06 3a22 n SER 646 Cb 0.56 -1.36 -0.03 0.00 -0.75 0.00 0.00 64.21 62.63 3a22 n SER 646 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3a22 n GLY 648 N 2.32 1.70 0.01 0.00 0.00 -1.26 -5.06 105.19 102.90 3a22 n GLY 648 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 3a22 n GLY 648 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3a22 n THR 649 N 0.00 0.00 0.00 2.61 -2.24 -1.26 -5.10 114.28 108.29 3a22 n THR 649 Ca 0.00 -0.32 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3a22 n THR 649 Cb 0.00 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.58 3a22 n THR 649 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3a22 n GLY 650 N 1.46 1.04 0.00 3.38 0.00 -1.26 -4.95 105.19 104.87 3a22 n GLY 650 Ca -0.01 -1.56 0.02 0.00 0.00 0.00 0.00 46.02 44.46 3a22 n GLY 650 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3a22 n ASP 651 N 0.00 0.00 0.00 1.61 8.00 -1.26 -0.98 116.55 123.92 3a22 n ASP 651 Ca 0.00 0.49 0.08 0.00 0.71 0.00 0.00 54.79 56.08 3a22 n ASP 651 Cb 0.00 -0.50 0.49 0.00 -0.02 0.00 0.00 41.12 41.09 3a22 n ASP 651 CO 0.00 0.00 0.00 -0.46 -0.39 0.00 0.00 177.20 176.35 3a22 n ASN 652 N -1.50 0.00 -0.07 -2.24 6.94 -1.26 -2.51 115.26 114.62 3a22 n ASN 652 Ca 0.01 -0.60 0.01 0.00 -0.02 0.00 0.00 54.58 53.98 3a22 n ASN 652 Cb 0.04 0.00 0.01 0.00 -2.36 0.00 0.00 39.78 37.47 3a22 n ASN 652 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 3a22 n GLN 653 N -0.96 1.74 -4.40 -3.83 6.02 -0.15 -1.36 117.38 114.43 3a22 n GLN 653 Ca 0.12 -1.24 -0.34 0.00 -0.01 0.00 0.00 57.00 55.54 3a22 n GLN 653 Cb 0.06 -1.03 -0.10 0.00 1.02 0.00 0.00 30.24 30.19 3a22 n GLN 653 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 3a22 s LYS 654 N -0.71 2.82 0.01 -1.09 -0.14 -1.05 -4.17 119.74 115.42 3a22 s LYS 654 Ca 0.02 -0.54 -0.04 0.00 -1.36 0.00 0.00 55.97 54.05 3a22 s LYS 654 Cb 0.01 -2.68 -0.01 0.00 -1.68 0.00 0.00 37.83 33.48 3a22 s LYS 654 CO 0.02 0.66 0.07 -1.58 -0.76 0.00 0.00 175.35 173.75 3a22 s TRP 655 N -0.95 0.15 -0.07 3.18 0.52 0.60 -1.24 118.94 121.12 3a22 s TRP 655 Ca 0.16 -0.33 0.03 0.00 0.02 0.00 0.00 56.10 55.97 3a22 s TRP 655 Cb -0.11 -0.12 -0.02 0.00 -1.15 0.00 0.00 33.47 32.07 3a22 s TRP 655 CO 0.06 -0.26 -0.14 0.99 0.02 0.00 0.00 176.95 177.62 3a22 s THR 656 N -1.54 3.07 -0.31 2.01 2.01 0.53 -4.77 115.64 116.64 3a22 s THR 656 Ca -0.14 -0.70 -0.15 0.00 0.31 0.00 0.00 61.69 61.00 3a22 s THR 656 Cb -0.08 -2.22 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 3a22 s THR 656 CO -0.00 0.57 0.39 -0.69 -0.69 0.00 0.00 174.62 174.20 3a22 s VAL 657 N -0.45 5.15 -0.47 3.82 1.01 -1.26 -0.26 120.40 127.94 3a22 s VAL 657 Ca 0.06 0.31 0.04 0.00 0.00 0.00 0.00 61.98 62.38 3a22 s VAL 657 Cb -0.12 -3.79 0.03 0.00 0.00 0.00 0.00 36.38 32.50 3a22 s VAL 657 CO 0.02 -0.01 0.62 0.41 0.00 0.00 0.00 175.10 176.14