#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dd5 n SER 33 N 0.00 3.51 -3.82 4.04 3.41 -1.26 -4.84 113.62 114.66 3dd5 n SER 33 Ca 0.00 -1.98 -0.27 0.00 -0.26 0.00 0.00 58.87 56.36 3dd5 n SER 33 Cb 0.00 -0.34 -0.17 0.00 -0.26 0.00 0.00 64.21 63.44 3dd5 n SER 33 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3dd5 s THR 34 N -1.32 0.78 -0.06 6.66 2.01 -1.26 -0.92 115.64 121.53 3dd5 s THR 34 Ca 0.42 -0.41 0.03 0.00 0.31 0.00 0.00 61.69 62.04 3dd5 s THR 34 Cb 0.23 -1.02 0.01 0.00 0.01 0.00 0.00 72.50 71.73 3dd5 s THR 34 CO 0.32 0.09 -0.14 -0.13 -0.69 0.00 0.00 174.62 174.07 3dd5 s ARG 35 N 1.78 1.68 -0.18 4.92 1.81 -1.26 -4.98 118.95 122.71 3dd5 s ARG 35 Ca 0.02 -0.47 0.18 0.00 -1.72 0.00 0.00 55.73 53.73 3dd5 s ARG 35 Cb -0.15 -1.42 0.46 0.00 -0.45 0.00 0.00 34.95 33.39 3dd5 s ARG 35 CO -0.07 0.11 1.17 0.09 -0.68 0.00 0.00 175.30 175.91 3dd5 n ASN 36 N 3.54 2.16 0.21 0.23 4.13 -1.24 -1.92 115.26 122.36 3dd5 n ASN 36 Ca -0.21 -2.77 0.04 0.00 1.68 0.00 0.00 54.58 53.32 3dd5 n ASN 36 Cb 0.52 -0.41 0.44 0.00 -1.54 0.00 0.00 39.78 38.80 3dd5 n ASN 36 CO 0.00 0.00 0.00 -0.33 0.28 0.00 0.00 177.26 177.21 3dd5 h GLU 37 N 1.73 0.00 -0.38 3.52 5.08 -1.75 -0.60 114.58 122.18 3dd5 h GLU 37 Ca -0.03 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 3dd5 h GLU 37 Cb 1.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 3dd5 h GLU 37 CO 0.25 0.27 -0.14 1.25 -1.00 0.00 0.00 179.01 179.64 3dd5 h LEU 38 N 0.00 0.78 -0.39 1.33 5.85 -1.90 0.23 115.31 121.22 3dd5 h LEU 38 Ca -0.00 -0.39 -0.18 0.00 0.84 0.00 0.00 57.88 58.15 3dd5 h LEU 38 Cb 0.49 -0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3dd5 h LEU 38 CO 0.04 0.99 -0.68 -0.33 -0.34 0.00 0.00 178.44 178.12 3dd5 h GLU 39 N 0.57 0.54 0.07 1.25 5.08 -1.67 -3.13 114.58 117.29 3dd5 h GLU 39 Ca 0.09 -0.41 -0.25 0.00 -1.00 0.00 0.00 59.36 57.80 3dd5 h GLU 39 Cb 0.68 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.99 3dd5 h GLU 39 CO 0.05 1.03 -1.12 1.79 -1.00 0.00 0.00 179.01 179.76 3dd5 h THR 40 N 0.39 1.55 -2.28 1.13 1.35 -1.21 -3.48 112.91 110.35 3dd5 h THR 40 Ca -0.02 -3.08 -0.61 0.00 -0.55 0.00 0.00 66.41 62.15 3dd5 h THR 40 Cb 1.26 2.84 0.15 0.00 -1.73 0.00 0.00 68.15 70.67 3dd5 h THR 40 CO 0.13 0.89 -0.52 0.61 -0.25 0.00 0.00 175.52 176.38 3dd5 n GLY 41 N 1.38 -1.76 3.48 5.82 0.00 0.81 -4.97 105.19 109.94 3dd5 n GLY 41 Ca -0.06 0.01 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 3dd5 n GLY 41 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3dd5 s SER 42 N -0.98 5.00 0.62 1.61 0.15 -1.26 -4.97 113.70 113.87 3dd5 s SER 42 Ca 0.63 -0.16 0.26 0.00 0.70 0.00 0.00 55.95 57.39 3dd5 s SER 42 Cb -0.59 -1.86 1.32 0.00 -1.71 0.00 0.00 66.02 63.18 3dd5 s SER 42 CO 0.59 0.07 1.74 -1.28 1.20 0.00 0.00 173.24 175.56 3dd5 h SER 43 N 7.45 0.00 -0.99 5.45 0.87 -1.93 0.38 113.55 124.78 3dd5 h SER 43 Ca -0.36 0.00 -0.52 0.00 -1.23 0.00 0.00 61.79 59.68 3dd5 h SER 43 Cb 1.18 0.00 -0.31 0.00 -0.44 0.00 0.00 62.40 62.83 3dd5 h SER 43 CO 0.62 0.00 0.66 -1.54 -0.53 0.00 0.00 176.83 176.03 3dd5 n SER 44 N -3.30 3.81 -2.69 6.23 3.41 -1.26 -4.39 113.62 115.43 3dd5 n SER 44 Ca 0.07 -3.62 -0.07 0.00 -0.26 0.00 0.00 58.87 54.99 3dd5 n SER 44 Cb 0.73 -0.84 0.11 0.00 -0.26 0.00 0.00 64.21 63.95 3dd5 n SER 44 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 n ALA 45 N -1.15 1.60 -1.80 7.33 0.00 0.13 -5.14 120.51 121.49 3dd5 n ALA 45 Ca 0.60 -1.56 -0.41 0.00 0.00 0.00 0.00 53.44 52.06 3dd5 n ALA 45 Cb 1.65 -0.99 -0.02 0.00 0.00 0.00 0.00 19.45 20.10 3dd5 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3dd5 s PRO 47 N -0.46 0.04 0.07 0.00 0.04 -1.26 -4.98 135.00 128.46 3dd5 s PRO 47 Ca 0.62 -0.03 -0.16 0.00 0.04 0.00 0.00 61.00 61.47 3dd5 s PRO 47 Cb -0.46 -1.74 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 3dd5 s PRO 47 CO 0.46 -2.88 1.32 0.87 0.04 0.00 0.00 177.00 176.82 3dd5 h LYS 48 N -1.98 0.63 -5.03 4.56 1.57 -1.48 -3.45 116.57 111.38 3dd5 h LYS 48 Ca -0.47 -0.42 -0.56 0.00 -1.87 0.00 0.00 60.65 57.33 3dd5 h LYS 48 Cb 1.29 0.06 -0.32 0.00 0.08 0.00 0.00 32.23 33.34 3dd5 h LYS 48 CO 0.44 1.04 -0.83 0.08 -0.57 0.00 0.00 179.45 179.61 3dd5 s VAL 49 N -3.99 1.38 -0.15 0.50 1.01 -0.71 -1.48 120.40 116.95 3dd5 s VAL 49 Ca -0.12 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 3dd5 s VAL 49 Cb 0.07 -1.21 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3dd5 s VAL 49 CO 0.84 0.40 -0.03 -0.63 0.00 0.00 0.00 175.10 175.68 3dd5 s ILE 50 N 0.28 3.92 -0.14 2.22 1.01 -0.66 -1.75 121.20 126.08 3dd5 s ILE 50 Ca -0.09 -0.35 0.01 0.00 0.00 0.00 0.00 60.65 60.22 3dd5 s ILE 50 Cb -0.14 -2.72 0.02 0.00 0.01 0.00 0.00 42.46 39.64 3dd5 s ILE 50 CO 0.03 0.49 -0.15 -0.47 0.00 0.00 0.00 174.94 174.85 3dd5 s TYR 51 N 0.34 2.18 -0.15 3.97 5.04 0.51 -0.76 117.35 128.48 3dd5 s TYR 51 Ca -0.04 -1.18 -0.00 0.00 -2.44 0.00 0.00 57.07 53.41 3dd5 s TYR 51 Cb -0.14 -1.59 0.03 0.00 0.35 0.00 0.00 41.96 40.62 3dd5 s TYR 51 CO 0.03 -0.63 -0.09 0.42 -1.34 0.00 0.00 175.55 173.94 3dd5 s ILE 52 N 1.32 1.28 -0.00 3.14 1.01 -1.08 0.04 121.20 126.91 3dd5 s ILE 52 Ca 0.02 -0.61 0.06 0.00 0.00 0.00 0.00 60.65 60.12 3dd5 s ILE 52 Cb -0.13 -1.34 -0.02 0.00 0.01 0.00 0.00 42.46 40.98 3dd5 s ILE 52 CO -0.08 0.27 -0.19 0.12 0.00 0.00 0.00 174.94 175.05 3dd5 s PHE 53 N 1.58 1.70 -0.19 3.97 5.36 -0.60 -2.28 117.98 127.52 3dd5 s PHE 53 Ca 0.02 -0.33 -0.02 0.00 -0.96 0.00 0.00 56.93 55.64 3dd5 s PHE 53 Cb -0.14 -1.08 -0.01 0.00 -0.34 0.00 0.00 43.02 41.45 3dd5 s PHE 53 CO -0.09 -0.00 -0.08 0.00 -1.46 0.00 0.00 175.22 173.59 3dd5 s ALA 54 N -0.52 2.74 0.48 11.12 0.00 -0.03 -1.26 121.76 134.29 3dd5 s ALA 54 Ca 0.07 -1.07 -0.10 0.00 0.00 0.00 0.00 51.96 50.86 3dd5 s ALA 54 Cb -0.08 -1.52 -0.05 0.00 0.00 0.00 0.00 23.12 21.47 3dd5 s ALA 54 CO -0.00 -0.19 0.85 -0.98 0.00 0.00 0.00 175.76 175.44 3dd5 s ARG 55 N 1.07 3.69 0.98 0.00 1.70 -1.26 -2.12 118.95 123.01 3dd5 s ARG 55 Ca 0.00 0.50 -0.12 0.00 -0.47 0.00 0.00 55.73 55.64 3dd5 s ARG 55 Cb -0.15 -2.30 0.17 0.00 -0.57 0.00 0.00 34.95 32.11 3dd5 s ARG 55 CO -0.01 -0.22 1.09 0.00 -1.08 0.00 0.00 175.30 175.08 3dd5 s ALA 56 N -2.67 1.07 0.18 7.88 0.00 -1.11 -2.84 121.76 124.27 3dd5 s ALA 56 Ca 0.52 -0.25 -0.31 0.00 0.00 0.00 0.00 51.96 51.92 3dd5 s ALA 56 Cb -0.10 -3.15 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 3dd5 s ALA 56 CO 0.40 -2.74 1.46 -1.12 0.00 0.00 0.00 175.76 173.75 3dd5 s SER 57 N -3.39 6.70 0.00 0.00 0.01 -1.26 -2.48 113.70 113.28 3dd5 s SER 57 Ca 0.65 2.54 0.00 0.00 1.31 0.00 0.00 55.95 60.45 3dd5 s SER 57 Cb -0.19 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.44 3dd5 s SER 57 CO 0.58 -0.71 0.00 0.41 0.41 0.00 0.00 173.24 173.92 3dd5 n THR 58 N 3.33 0.00 -2.39 1.44 -1.04 0.31 -5.00 114.28 110.94 3dd5 n THR 58 Ca 0.10 0.00 -0.40 0.00 -2.04 0.00 0.00 64.05 61.71 3dd5 n THR 58 Cb 0.40 -0.15 -0.04 0.00 -1.82 0.00 0.00 70.33 68.72 3dd5 n THR 58 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 3dd5 s GLU 59 N -0.31 4.53 0.65 -2.82 2.02 -1.03 -5.00 118.70 116.74 3dd5 s GLU 59 Ca 0.00 1.89 -0.14 0.00 0.02 0.00 0.00 54.97 56.74 3dd5 s GLU 59 Cb 0.00 -3.12 -0.01 0.00 0.10 0.00 0.00 34.13 31.10 3dd5 s GLU 59 CO 0.00 0.09 1.08 -1.25 0.02 0.00 0.00 175.26 175.20 3dd5 s PRO 60 N -1.60 2.96 4.75 0.39 0.04 -1.26 -4.78 135.00 135.50 3dd5 s PRO 60 Ca 0.46 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.77 3dd5 s PRO 60 Cb -0.33 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.23 3dd5 s PRO 60 CO 0.43 -1.11 0.00 0.41 0.04 0.00 0.00 177.00 176.77 3dd5 n GLY 61 N -0.89 1.37 0.01 0.56 0.00 -1.26 -2.33 105.19 102.66 3dd5 n GLY 61 Ca 0.09 -0.71 0.01 0.00 0.00 0.00 0.00 46.02 45.41 3dd5 n GLY 61 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3dd5 n ASN 62 N 2.55 1.82 0.00 1.61 0.23 -0.16 -4.75 115.26 116.56 3dd5 n ASN 62 Ca 0.00 -2.01 0.00 0.00 -0.53 0.00 0.00 54.58 52.04 3dd5 n ASN 62 Cb 0.00 -0.04 0.00 0.00 -2.08 0.00 0.00 39.78 37.66 3dd5 n ASN 62 CO 0.00 0.00 0.00 0.23 -0.93 0.00 0.00 177.26 176.56 3dd5 n MET 63 N -0.53 2.89 0.00 -3.83 2.81 -0.09 -3.33 117.12 115.04 3dd5 n MET 63 Ca 0.01 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.90 3dd5 n MET 63 Cb 0.31 -0.66 0.00 0.00 -0.71 0.00 0.00 33.22 32.16 3dd5 n MET 63 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dd5 n GLY 64 N 1.30 -1.06 0.00 3.03 0.00 -0.98 -4.05 105.19 103.43 3dd5 n GLY 64 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 3dd5 n GLY 64 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dd5 n ILE 65 N -0.09 0.11 0.00 -0.61 -6.64 -1.26 -4.55 119.36 106.31 3dd5 n ILE 65 Ca 0.00 -0.11 0.00 0.00 -1.77 0.00 0.00 62.75 60.87 3dd5 n ILE 65 Cb 0.00 0.97 0.00 0.00 -1.44 0.00 0.00 39.64 39.17 3dd5 n ILE 65 CO 0.00 0.00 0.00 -1.54 -1.77 0.00 0.00 176.55 173.24 3dd5 n SER 66 N -0.05 0.00 -0.25 7.28 3.41 -1.26 -4.91 113.62 117.83 3dd5 n SER 66 Ca 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 58.87 58.59 3dd5 n SER 66 Cb 0.47 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.42 3dd5 n SER 66 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dd5 n ALA 67 N -3.00 -0.17 -0.13 7.33 0.00 -1.26 -3.09 120.51 120.19 3dd5 n ALA 67 Ca 0.00 0.62 0.00 0.00 0.00 0.00 0.00 53.44 54.06 3dd5 n ALA 67 Cb 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 19.45 19.21 3dd5 n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3dd5 n GLY 68 N -1.27 -3.19 0.28 0.00 0.00 -1.26 -1.93 105.19 97.83 3dd5 n GLY 68 Ca 0.05 0.59 0.13 0.00 0.00 0.00 0.00 46.02 46.79 3dd5 n GLY 68 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dd5 h PRO 69 N 0.00 0.00 0.39 1.61 0.11 -1.71 -2.40 132.00 129.99 3dd5 h PRO 69 Ca 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.09 3dd5 h PRO 69 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3dd5 h PRO 69 CO 0.00 0.05 -0.19 0.82 -0.21 0.00 0.00 178.00 178.47 3dd5 h ILE 70 N 0.00 0.61 -0.52 4.15 2.04 -1.40 -1.12 117.51 121.27 3dd5 h ILE 70 Ca -0.00 -0.34 -0.01 0.00 1.00 0.00 0.00 64.86 65.50 3dd5 h ILE 70 Cb 0.11 0.78 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 3dd5 h ILE 70 CO 0.01 0.06 0.27 0.58 0.00 0.00 0.00 178.15 179.08 3dd5 h VAL 71 N -0.72 1.16 0.77 1.67 2.07 -1.31 -1.68 116.25 118.22 3dd5 h VAL 71 Ca -0.05 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.00 3dd5 h VAL 71 Cb 0.50 0.47 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 3dd5 h VAL 71 CO 0.09 0.18 -0.37 0.00 0.02 0.00 0.00 177.57 177.49 3dd5 h ALA 72 N 1.58 -1.03 -0.77 1.67 0.00 -1.35 -2.42 119.26 116.94 3dd5 h ALA 72 Ca 0.18 -0.24 0.15 0.00 0.00 0.00 0.00 54.91 55.01 3dd5 h ALA 72 Cb 0.04 0.40 -0.15 0.00 0.00 0.00 0.00 17.79 18.08 3dd5 h ALA 72 CO -0.03 -1.01 -0.21 -0.44 0.00 0.00 0.00 179.25 177.56 3dd5 h ASP 73 N -1.18 -0.76 -0.32 0.00 5.19 -1.05 -0.56 116.42 117.75 3dd5 h ASP 73 Ca -0.11 0.23 0.07 0.00 -0.62 0.00 0.00 57.03 56.61 3dd5 h ASP 73 Cb 0.81 0.49 -0.07 0.00 0.18 0.00 0.00 39.33 40.74 3dd5 h ASP 73 CO 0.17 -0.26 -0.18 0.00 -3.12 0.00 0.00 179.24 175.86 3dd5 h ALA 74 N 1.72 0.05 -0.17 3.45 0.00 -1.19 0.10 119.26 123.23 3dd5 h ALA 74 Ca 0.36 0.11 0.01 0.00 0.00 0.00 0.00 54.91 55.39 3dd5 h ALA 74 Cb 0.57 0.41 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 3dd5 h ALA 74 CO -0.80 -0.57 0.10 -0.07 0.00 0.00 0.00 179.25 177.91 3dd5 h LEU 75 N -0.14 0.16 -1.24 0.00 3.38 -0.62 0.35 115.31 117.20 3dd5 h LEU 75 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3dd5 h LEU 75 Cb 0.39 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3dd5 h LEU 75 CO -0.40 0.12 0.00 -0.33 0.09 0.00 0.00 178.44 177.92 3dd5 h GLU 76 N 0.20 0.00 0.07 1.13 5.08 -0.96 0.46 114.58 120.56 3dd5 h GLU 76 Ca 0.06 0.00 -0.17 0.00 -1.00 0.00 0.00 59.36 58.26 3dd5 h GLU 76 Cb -0.01 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.26 3dd5 h GLU 76 CO -0.03 0.00 -0.70 -0.09 -1.00 0.00 0.00 179.01 177.19 3dd5 h ARG 77 N 0.00 0.34 -0.20 2.33 1.12 -0.06 -1.01 114.38 116.90 3dd5 h ARG 77 Ca 0.00 -0.47 -0.11 0.00 -1.11 0.00 0.00 59.98 58.29 3dd5 h ARG 77 Cb 0.41 0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.52 3dd5 h ARG 77 CO 0.00 1.17 -0.32 0.82 -3.11 0.00 0.00 179.97 178.53 3dd5 h ILE 78 N -0.26 1.33 0.00 1.20 2.04 0.15 -3.39 117.51 118.59 3dd5 h ILE 78 Ca -0.11 -1.54 0.00 0.00 1.00 0.00 0.00 64.86 64.22 3dd5 h ILE 78 Cb 1.48 1.83 0.00 0.00 -0.74 0.00 0.00 36.82 39.39 3dd5 h ILE 78 CO 0.13 0.47 -1.34 -1.22 0.00 0.00 0.00 178.15 176.19 3dd5 n TYR 79 N -4.32 0.00 0.00 1.37 4.02 0.15 -5.10 117.16 113.28 3dd5 n TYR 79 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.83 3dd5 n TYR 79 Cb 0.49 -0.22 0.00 0.00 -0.02 0.00 0.00 39.34 39.59 3dd5 n TYR 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 80 N 1.71 -1.09 0.31 2.72 0.00 -0.38 -4.45 105.19 104.02 3dd5 n GLY 80 Ca -0.01 -1.36 0.11 0.00 0.00 0.00 0.00 46.02 44.76 3dd5 n GLY 80 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dd5 h ALA 81 N 0.00 2.06 -0.46 4.61 0.00 -1.89 -1.86 119.26 121.72 3dd5 h ALA 81 Ca 0.00 -0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3dd5 h ALA 81 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 3dd5 h ALA 81 CO 0.00 -0.12 0.31 -0.91 0.00 0.00 0.00 179.25 178.52 3dd5 h ASN 82 N 0.19 0.51 -0.33 0.00 4.21 -1.95 -3.08 115.58 115.12 3dd5 h ASN 82 Ca 0.14 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.64 3dd5 h ASN 82 Cb 0.32 -0.12 0.00 0.00 -1.12 0.00 0.00 38.32 37.40 3dd5 h ASN 82 CO -0.02 0.36 0.00 0.47 -1.29 0.00 0.00 177.43 176.95 3dd5 n ASP 83 N -4.47 3.41 -3.98 5.81 9.92 -0.71 -4.63 116.55 121.90 3dd5 n ASP 83 Ca 0.04 -2.00 -0.27 0.00 -0.53 0.00 0.00 54.79 52.04 3dd5 n ASP 83 Cb 0.08 -0.21 -0.17 0.00 -0.64 0.00 0.00 41.12 40.18 3dd5 n ASP 83 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3dd5 s VAL 84 N -1.58 1.19 -0.15 2.53 1.01 -1.13 -1.23 120.40 121.06 3dd5 s VAL 84 Ca 0.37 -0.45 -0.16 0.00 0.00 0.00 0.00 61.98 61.74 3dd5 s VAL 84 Cb 0.23 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.43 3dd5 s VAL 84 CO 0.32 0.38 0.40 0.26 0.00 0.00 0.00 175.10 176.46 3dd5 s TRP 85 N 1.18 3.47 -0.22 5.22 0.51 -0.71 -4.85 118.94 123.54 3dd5 s TRP 85 Ca -0.04 0.75 -0.00 0.00 -2.12 0.00 0.00 56.10 54.69 3dd5 s TRP 85 Cb -0.14 -2.48 0.03 0.00 -0.81 0.00 0.00 33.47 30.07 3dd5 s TRP 85 CO -0.03 0.16 -0.12 0.08 -0.51 0.00 0.00 176.95 176.54 3dd5 s VAL 86 N 0.68 2.50 -0.02 4.03 1.01 -1.26 -0.36 120.40 126.97 3dd5 s VAL 86 Ca 0.22 -1.07 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3dd5 s VAL 86 Cb -0.14 -2.22 -0.01 0.00 0.00 0.00 0.00 36.38 34.00 3dd5 s VAL 86 CO 0.08 0.29 -0.19 -1.58 0.00 0.00 0.00 175.10 173.70 3dd5 s GLN 87 N 1.28 1.63 -0.10 2.72 2.00 0.11 -1.80 119.66 125.50 3dd5 s GLN 87 Ca 0.01 -0.68 -0.02 0.00 -2.00 0.00 0.00 55.36 52.67 3dd5 s GLN 87 Cb -0.16 -1.53 -0.03 0.00 0.80 0.00 0.00 33.01 32.09 3dd5 s GLN 87 CO -0.07 0.39 -0.02 0.20 -0.50 0.00 0.00 175.29 175.28 3dd5 s GLY 88 N -0.36 1.79 -0.80 2.59 0.00 -0.81 -1.56 107.32 108.17 3dd5 s GLY 88 Ca 0.05 -0.83 -0.25 0.00 0.00 0.00 0.00 44.72 43.69 3dd5 s GLY 88 CO -0.00 -0.49 1.91 0.14 0.00 0.00 0.00 173.10 174.66 3dd5 s VAL 89 N -0.62 3.42 0.00 1.40 1.01 -0.39 -4.89 120.40 120.34 3dd5 s VAL 89 Ca 0.10 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.90 3dd5 s VAL 89 Cb -0.12 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.27 3dd5 s VAL 89 CO 0.02 -0.94 0.00 0.61 0.00 0.00 0.00 175.10 174.79 3dd5 n GLY 90 N 6.45 2.80 7.00 4.51 0.00 -1.26 -4.75 105.19 119.93 3dd5 n GLY 90 Ca 0.33 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.63 3dd5 n GLY 90 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3dd5 n GLY 91 N 5.00 3.01 0.00 -0.02 0.00 -1.26 -2.14 105.19 109.77 3dd5 n GLY 91 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.98 3dd5 n GLY 91 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3dd5 n PRO 92 N 14.00 0.00 -2.86 1.61 -0.04 -1.26 -4.31 135.00 142.14 3dd5 n PRO 92 Ca 0.00 0.32 -0.43 0.00 -0.04 0.00 0.00 63.50 63.35 3dd5 n PRO 92 Cb 0.00 -1.52 -0.04 0.00 -0.04 0.00 0.00 33.50 31.90 3dd5 n PRO 92 CO 0.00 0.00 0.00 -0.47 -0.04 0.00 0.00 175.50 174.99 3dd5 s TYR 93 N -2.62 2.95 -0.48 0.54 5.04 -0.91 -4.50 117.35 117.37 3dd5 s TYR 93 Ca 0.00 0.36 0.22 0.00 -2.44 0.00 0.00 57.07 55.20 3dd5 s TYR 93 Cb 0.00 -3.86 -0.29 0.00 0.35 0.00 0.00 41.96 38.16 3dd5 s TYR 93 CO 0.00 -1.05 0.67 1.28 -1.34 0.00 0.00 175.55 175.12 3dd5 n LEU 94 N 7.02 0.46 -3.26 6.97 4.77 -1.26 -4.74 117.00 126.96 3dd5 n LEU 94 Ca 0.05 -0.23 -0.23 0.00 -0.03 0.00 0.00 56.01 55.57 3dd5 n LEU 94 Cb 0.48 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.62 3dd5 n LEU 94 CO 0.62 0.12 0.07 0.00 -1.33 0.00 0.00 177.39 176.87 3dd5 n ALA 95 N -1.91 -1.09 -2.07 -1.18 0.00 -1.26 -4.68 120.51 108.32 3dd5 n ALA 95 Ca -0.00 0.30 -0.31 0.00 0.00 0.00 0.00 53.44 53.43 3dd5 n ALA 95 Cb 0.46 -4.33 -0.04 0.00 0.00 0.00 0.00 19.45 15.53 3dd5 n ALA 95 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 3dd5 s ASP 96 N -2.91 6.64 0.16 0.00 1.47 -1.26 0.11 116.67 120.87 3dd5 s ASP 96 Ca 0.41 1.31 -0.13 0.00 1.18 0.00 0.00 52.55 55.32 3dd5 s ASP 96 Cb -0.19 -2.39 0.04 0.00 -0.34 0.00 0.00 42.92 40.04 3dd5 s ASP 96 CO 0.51 -0.39 1.68 -0.07 0.68 0.00 0.00 175.17 177.58 3dd5 h LEU 97 N 1.47 0.78 -0.83 2.11 3.38 -1.94 -3.16 115.31 117.12 3dd5 h LEU 97 Ca -0.47 -0.21 0.15 0.00 0.09 0.00 0.00 57.88 57.44 3dd5 h LEU 97 Cb 1.18 -0.20 -0.10 0.00 0.09 0.00 0.00 40.66 41.63 3dd5 h LEU 97 CO 0.63 0.78 0.40 0.00 0.09 0.00 0.00 178.44 180.34 3dd5 h ALA 98 N 1.03 1.24 0.00 1.53 0.00 -2.01 -2.01 119.26 119.03 3dd5 h ALA 98 Ca 0.17 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.18 3dd5 h ALA 98 Cb 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 3dd5 h ALA 98 CO -0.01 -0.14 -0.01 0.77 0.00 0.00 0.00 179.25 179.87 3dd5 h SER 99 N 0.56 0.00 -0.18 0.00 0.02 -1.91 -0.57 113.55 111.47 3dd5 h SER 99 Ca 0.46 0.00 0.05 0.00 -0.84 0.00 0.00 61.79 61.46 3dd5 h SER 99 Cb 0.68 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 3dd5 h SER 99 CO -0.39 0.01 0.20 0.78 -1.14 0.00 0.00 176.83 176.29 3dd5 h ASN 100 N 0.00 0.00 0.39 3.07 2.35 -1.47 -2.44 115.58 117.48 3dd5 h ASN 100 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3dd5 h ASN 100 Cb 0.02 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3dd5 h ASN 100 CO 0.00 0.00 -0.37 0.49 -1.65 0.00 0.00 177.43 175.91 3dd5 n PHE 101 N -3.80 0.00 -1.20 1.19 3.72 -0.22 -4.30 117.46 112.85 3dd5 n PHE 101 Ca 0.01 0.00 -0.31 0.00 -0.05 0.00 0.00 57.45 57.11 3dd5 n PHE 101 Cb 0.32 -0.20 0.11 0.00 -0.94 0.00 0.00 39.48 38.77 3dd5 n PHE 101 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3dd5 s LEU 102 N -2.76 2.78 0.02 4.37 1.43 -1.14 -4.93 118.68 118.45 3dd5 s LEU 102 Ca 0.18 1.75 0.18 0.00 -1.03 0.00 0.00 54.13 55.21 3dd5 s LEU 102 Cb 0.18 -4.34 0.77 0.00 0.03 0.00 0.00 46.19 42.83 3dd5 s LEU 102 CO 0.61 -2.30 1.58 -2.65 0.23 0.00 0.00 176.35 173.82 3dd5 n PRO 103 N -3.69 0.02 0.03 1.29 -0.02 -1.26 -1.93 135.00 129.45 3dd5 n PRO 103 Ca 0.09 0.21 0.11 0.00 -2.02 0.00 0.00 63.50 61.89 3dd5 n PRO 103 Cb 0.54 -1.53 0.01 0.00 -0.02 0.00 0.00 33.50 32.50 3dd5 n PRO 103 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3dd5 n ASP 104 N -1.57 0.60 0.00 2.55 10.43 -1.26 -4.97 116.55 122.33 3dd5 n ASP 104 Ca 0.04 -0.12 0.00 0.00 2.57 0.00 0.00 54.79 57.28 3dd5 n ASP 104 Cb 0.21 0.81 0.00 0.00 1.84 0.00 0.00 41.12 43.98 3dd5 n ASP 104 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 3dd5 n GLY 105 N 1.34 0.51 3.60 0.44 0.00 -0.81 -4.78 105.19 105.49 3dd5 n GLY 105 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.98 3dd5 n GLY 105 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3dd5 s THR 106 N -2.17 0.00 0.42 2.61 -1.32 -0.93 -3.88 115.64 110.36 3dd5 s THR 106 Ca 0.00 -0.23 -0.25 0.00 -1.21 0.00 0.00 61.69 60.00 3dd5 s THR 106 Cb 0.00 -1.39 -0.10 0.00 -1.51 0.00 0.00 72.50 69.50 3dd5 s THR 106 CO 0.00 0.00 1.18 -1.54 -2.21 0.00 0.00 174.62 172.05 3dd5 n SER 107 N -0.32 2.10 -0.32 8.08 3.41 -1.25 -4.83 113.62 120.48 3dd5 n SER 107 Ca -0.07 1.09 0.10 0.00 -0.26 0.00 0.00 58.87 59.72 3dd5 n SER 107 Cb 0.61 -1.45 0.26 0.00 -0.26 0.00 0.00 64.21 63.38 3dd5 n SER 107 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3dd5 h SER 108 N 1.89 0.64 -0.46 4.04 4.64 -1.99 -2.31 113.55 120.00 3dd5 h SER 108 Ca -0.46 0.09 0.06 0.00 -0.47 0.00 0.00 61.79 61.01 3dd5 h SER 108 Cb 1.31 -0.01 -0.03 0.00 -0.31 0.00 0.00 62.40 63.36 3dd5 h SER 108 CO 0.59 0.25 0.31 0.00 -0.87 0.00 0.00 176.83 177.10 3dd5 h ALA 109 N 1.60 1.94 0.03 5.18 0.00 -1.91 -1.31 119.26 124.78 3dd5 h ALA 109 Ca 0.51 -0.02 -0.21 0.00 0.00 0.00 0.00 54.91 55.19 3dd5 h ALA 109 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 3dd5 h ALA 109 CO -0.37 -0.02 -0.96 0.00 0.00 0.00 0.00 179.25 177.89 3dd5 h ALA 110 N 1.75 0.41 -0.18 0.00 0.00 -1.65 -1.79 119.26 117.81 3dd5 h ALA 110 Ca 0.20 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.32 3dd5 h ALA 110 Cb 0.30 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3dd5 h ALA 110 CO -0.05 0.97 0.05 0.82 0.00 0.00 0.00 179.25 181.05 3dd5 h ILE 111 N 0.09 1.19 -0.06 0.00 2.04 -1.06 -2.22 117.51 117.49 3dd5 h ILE 111 Ca -0.06 -0.58 -0.10 0.00 1.00 0.00 0.00 64.86 65.13 3dd5 h ILE 111 Cb 1.63 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.94 3dd5 h ILE 111 CO 0.15 0.18 -0.40 0.78 0.00 0.00 0.00 178.15 178.85 3dd5 h ASN 112 N 0.11 0.13 -0.06 1.72 4.21 -1.24 0.74 115.58 121.19 3dd5 h ASN 112 Ca 0.06 -0.05 -0.12 0.00 1.21 0.00 0.00 56.30 57.40 3dd5 h ASN 112 Cb 0.23 -0.04 0.01 0.00 -1.12 0.00 0.00 38.32 37.40 3dd5 h ASN 112 CO -0.00 0.52 -0.43 -0.08 -1.29 0.00 0.00 177.43 176.16 3dd5 h GLU 113 N 0.11 0.39 -0.60 0.81 4.57 -1.30 0.39 114.58 118.94 3dd5 h GLU 113 Ca 0.01 -0.34 0.12 0.00 -1.18 0.00 0.00 59.36 57.96 3dd5 h GLU 113 Cb 0.77 0.08 -0.09 0.00 -0.16 0.00 0.00 28.75 29.35 3dd5 h GLU 113 CO 0.06 0.99 0.10 0.00 -1.18 0.00 0.00 179.01 178.99 3dd5 h ALA 114 N 0.40 0.69 -0.89 2.92 0.00 -1.29 -1.10 119.26 119.99 3dd5 h ALA 114 Ca -0.04 0.14 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3dd5 h ALA 114 Cb 1.10 0.21 -0.06 0.00 0.00 0.00 0.00 17.79 19.04 3dd5 h ALA 114 CO 0.09 -0.33 0.57 -0.09 0.00 0.00 0.00 179.25 179.49 3dd5 h ARG 115 N 0.23 1.05 -0.25 0.00 2.43 -0.65 -1.80 114.38 115.38 3dd5 h ARG 115 Ca 0.32 -0.06 -0.01 0.00 -0.81 0.00 0.00 59.98 59.41 3dd5 h ARG 115 Cb 0.48 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 3dd5 h ARG 115 CO -0.43 0.69 0.11 -0.09 -1.51 0.00 0.00 179.97 178.75 3dd5 h ARG 116 N 1.08 0.37 0.03 0.20 2.43 0.81 -2.77 114.38 116.53 3dd5 h ARG 116 Ca 0.37 -0.06 -0.00 0.00 -0.81 0.00 0.00 59.98 59.47 3dd5 h ARG 116 Cb 0.06 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 3dd5 h ARG 116 CO -0.14 0.40 -0.02 -0.07 -1.51 0.00 0.00 179.97 178.63 3dd5 h LEU 117 N 0.26 -0.04 -2.02 3.80 3.38 -0.93 -1.29 115.31 118.47 3dd5 h LEU 117 Ca 0.08 -0.04 0.15 0.00 0.09 0.00 0.00 57.88 58.16 3dd5 h LEU 117 Cb 0.16 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 3dd5 h LEU 117 CO -0.01 0.02 0.39 -0.26 0.09 0.00 0.00 178.44 178.66 3dd5 h PHE 118 N -0.09 0.00 0.19 1.13 0.04 -1.34 -1.39 116.94 115.48 3dd5 h PHE 118 Ca -0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 3dd5 h PHE 118 Cb 0.08 0.00 0.03 0.00 2.20 0.00 0.00 35.95 38.26 3dd5 h PHE 118 CO -0.06 0.00 -1.17 1.15 -0.60 0.00 0.00 178.31 177.63 3dd5 h THR 119 N 0.00 1.38 -1.01 -1.55 2.02 -1.10 -2.86 112.91 109.79 3dd5 h THR 119 Ca 0.24 -2.60 0.03 0.00 0.77 0.00 0.00 66.41 64.85 3dd5 h THR 119 Cb 1.01 3.08 -0.06 0.00 -1.74 0.00 0.00 68.15 70.44 3dd5 h THR 119 CO -0.00 0.76 0.66 0.25 0.37 0.00 0.00 175.52 177.56 3dd5 h LEU 120 N -0.07 1.12 -1.00 2.58 5.85 -0.28 -0.43 115.31 123.08 3dd5 h LEU 120 Ca -0.20 -0.02 -0.06 0.00 0.84 0.00 0.00 57.88 58.44 3dd5 h LEU 120 Cb 1.91 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.66 3dd5 h LEU 120 CO 0.22 0.78 0.02 0.00 -0.34 0.00 0.00 178.44 179.12 3dd5 h ALA 121 N 1.40 1.18 -0.30 1.25 0.00 -1.30 0.43 119.26 121.92 3dd5 h ALA 121 Ca 0.39 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.96 3dd5 h ALA 121 Cb -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3dd5 h ALA 121 CO -0.11 0.54 -0.22 -0.97 0.00 0.00 0.00 179.25 178.48 3dd5 h ASN 122 N 0.70 0.58 0.33 0.00 -1.24 -1.16 -1.46 115.58 113.34 3dd5 h ASN 122 Ca 0.14 -0.19 -0.02 0.00 0.71 0.00 0.00 56.30 56.94 3dd5 h ASN 122 Cb 0.40 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 39.29 3dd5 h ASN 122 CO 0.01 0.80 -0.16 0.74 -1.29 0.00 0.00 177.43 177.54 3dd5 h THR 123 N 0.51 0.22 -0.73 -3.57 2.02 0.01 -2.92 112.91 108.45 3dd5 h THR 123 Ca 0.08 -0.74 0.05 0.00 0.77 0.00 0.00 66.41 66.57 3dd5 h THR 123 Cb 0.67 0.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.39 3dd5 h THR 123 CO 0.05 0.06 0.43 0.11 0.37 0.00 0.00 175.52 176.54 3dd5 h LYS 124 N -1.06 0.78 -1.97 6.66 6.56 -0.30 -3.39 116.57 123.84 3dd5 h LYS 124 Ca -0.05 -0.05 -0.55 0.00 -1.06 0.00 0.00 60.65 58.94 3dd5 h LYS 124 Cb 0.43 -0.18 -0.38 0.00 -0.57 0.00 0.00 32.23 31.53 3dd5 h LYS 124 CO 0.07 0.52 -1.09 0.00 -2.06 0.00 0.00 179.45 176.89 3dd5 h PRO 126 N 4.06 0.05 -0.06 0.00 0.11 -1.66 -1.44 132.00 133.07 3dd5 h PRO 126 Ca 0.07 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.18 3dd5 h PRO 126 Cb 0.88 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.98 3dd5 h PRO 126 CO 0.45 0.04 0.00 0.09 -0.21 0.00 0.00 178.00 178.37 3dd5 n ASN 127 N -4.25 2.32 -4.76 -2.05 3.02 -1.26 -4.94 115.26 103.34 3dd5 n ASN 127 Ca 0.34 -1.65 -0.40 0.00 -0.03 0.00 0.00 54.58 52.84 3dd5 n ASN 127 Cb 1.51 -0.03 -0.04 0.00 -0.61 0.00 0.00 39.78 40.61 3dd5 n ASN 127 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dd5 s ALA 128 N -1.20 3.41 -0.34 5.41 0.00 -0.54 -4.97 121.76 123.54 3dd5 s ALA 128 Ca 0.18 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.78 3dd5 s ALA 128 Cb 0.13 -3.34 -0.01 0.00 0.00 0.00 0.00 23.12 19.89 3dd5 s ALA 128 CO 0.19 -0.21 1.75 0.00 0.00 0.00 0.00 175.76 177.49 3dd5 s ALA 129 N -1.06 2.90 -0.08 0.00 0.00 -0.55 -4.87 121.76 118.10 3dd5 s ALA 129 Ca 0.45 0.21 -0.24 0.00 0.00 0.00 0.00 51.96 52.39 3dd5 s ALA 129 Cb -0.32 -4.00 -0.03 0.00 0.00 0.00 0.00 23.12 18.76 3dd5 s ALA 129 CO 0.41 -2.59 0.72 0.42 0.00 0.00 0.00 175.76 174.73 3dd5 s ILE 130 N 6.67 5.03 0.02 0.00 1.01 0.27 -1.66 121.20 132.55 3dd5 s ILE 130 Ca 0.77 1.48 0.06 0.00 0.00 0.00 0.00 60.65 62.96 3dd5 s ILE 130 Cb -0.21 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.18 3dd5 s ILE 130 CO 0.34 0.22 -0.18 0.68 0.00 0.00 0.00 174.94 176.00 3dd5 s VAL 131 N 0.96 1.46 0.14 2.92 -7.23 0.06 0.33 120.40 119.05 3dd5 s VAL 131 Ca 0.38 -0.98 0.04 0.00 -1.81 0.00 0.00 61.98 59.60 3dd5 s VAL 131 Cb -0.18 -1.26 -0.04 0.00 0.56 0.00 0.00 36.38 35.46 3dd5 s VAL 131 CO 0.18 0.25 -0.08 -0.94 -0.31 0.00 0.00 175.10 174.21 3dd5 s SER 132 N -0.85 1.60 0.02 4.85 1.04 -0.17 -2.65 113.70 117.55 3dd5 s SER 132 Ca 0.06 -1.04 0.00 0.00 0.48 0.00 0.00 55.95 55.46 3dd5 s SER 132 Cb -0.08 0.03 -0.02 0.00 0.10 0.00 0.00 66.02 66.05 3dd5 s SER 132 CO 0.01 -0.40 -0.04 -0.83 0.98 0.00 0.00 173.24 172.96 3dd5 s GLY 133 N -3.15 0.28 0.04 7.32 0.00 -0.97 -0.24 107.32 110.61 3dd5 s GLY 133 Ca 0.17 -0.59 -0.01 0.00 0.00 0.00 0.00 44.72 44.29 3dd5 s GLY 133 CO 0.00 -0.65 -0.02 -0.32 0.00 0.00 0.00 173.10 172.11 3dd5 s GLY 134 N -1.39 0.40 -0.13 0.20 0.00 -0.16 -0.85 107.32 105.39 3dd5 s GLY 134 Ca -0.14 -1.04 -0.04 0.00 0.00 0.00 0.00 44.72 43.50 3dd5 s GLY 134 CO -0.01 -1.15 0.16 -0.47 0.00 0.00 0.00 173.10 171.64 3dd5 s TYR 135 N -3.39 -0.14 0.00 1.90 5.04 -0.90 -1.85 117.35 118.01 3dd5 s TYR 135 Ca 0.02 0.33 0.00 0.00 -2.44 0.00 0.00 57.07 54.98 3dd5 s TYR 135 Cb 0.04 -0.37 0.00 0.00 0.35 0.00 0.00 41.96 41.98 3dd5 s TYR 135 CO -0.08 -0.41 0.00 0.45 -1.34 0.00 0.00 175.55 174.17 3dd5 n SER 136 N 5.32 0.00 -0.30 4.32 2.88 -0.43 -2.24 113.62 123.16 3dd5 n SER 136 Ca -0.05 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.52 3dd5 n SER 136 Cb 0.50 0.00 0.18 0.00 -0.75 0.00 0.00 64.21 64.13 3dd5 n SER 136 CO 0.00 0.00 0.00 -0.61 -1.23 0.00 0.00 175.04 173.20 3dd5 h GLN 137 N 0.00 0.76 -0.96 -1.46 4.15 -1.85 -1.19 115.11 114.56 3dd5 h GLN 137 Ca 0.00 -0.05 0.29 0.00 0.77 0.00 0.00 58.65 59.67 3dd5 h GLN 137 Cb 0.00 -0.17 -0.15 0.00 0.21 0.00 0.00 27.48 27.37 3dd5 h GLN 137 CO 0.00 0.50 0.41 0.78 -1.93 0.00 0.00 178.83 178.59 3dd5 h GLY 138 N 0.78 1.77 1.93 2.39 0.00 -1.29 0.21 103.07 108.86 3dd5 h GLY 138 Ca 0.41 -0.13 -0.01 0.00 0.00 0.00 0.00 47.33 47.60 3dd5 h GLY 138 CO -0.26 -0.47 0.01 -0.91 0.00 0.00 0.00 176.54 174.91 3dd5 h THR 139 N 0.24 1.04 -0.15 4.70 1.35 -1.38 0.28 112.91 118.99 3dd5 h THR 139 Ca 0.67 -0.14 -0.12 0.00 -0.55 0.00 0.00 66.41 66.27 3dd5 h THR 139 Cb 1.48 0.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.87 3dd5 h THR 139 CO -0.66 0.05 -0.36 0.00 -0.25 0.00 0.00 175.52 174.30 3dd5 h ALA 140 N 1.92 0.25 -0.49 6.62 0.00 -0.61 0.30 119.26 127.24 3dd5 h ALA 140 Ca 0.02 -0.44 0.06 0.00 0.00 0.00 0.00 54.91 54.56 3dd5 h ALA 140 Cb 0.05 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.75 3dd5 h ALA 140 CO -0.00 0.32 0.18 0.28 0.00 0.00 0.00 179.25 180.03 3dd5 h VAL 141 N 0.14 0.85 -0.12 0.00 2.07 -0.90 0.42 116.25 118.70 3dd5 h VAL 141 Ca -0.00 -0.13 -0.02 0.00 0.82 0.00 0.00 66.70 67.37 3dd5 h VAL 141 Cb 0.97 0.45 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 3dd5 h VAL 141 CO 0.08 0.07 0.01 0.24 0.02 0.00 0.00 177.57 177.98 3dd5 h MET 142 N 0.37 0.21 -0.49 1.57 2.86 -0.38 -0.87 114.93 118.19 3dd5 h MET 142 Ca 0.23 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.69 3dd5 h MET 142 Cb 0.23 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.86 3dd5 h MET 142 CO -0.23 0.44 -0.15 0.00 1.06 0.00 0.00 176.91 178.03 3dd5 h ALA 143 N 0.77 0.80 -0.14 6.32 0.00 -0.31 -2.35 119.26 124.34 3dd5 h ALA 143 Ca 0.04 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.39 3dd5 h ALA 143 Cb 0.33 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3dd5 h ALA 143 CO 0.00 0.66 -0.70 0.78 0.00 0.00 0.00 179.25 179.99 3dd5 h GLY 144 N 0.94 0.67 1.47 0.00 0.00 -0.16 -2.81 103.07 103.18 3dd5 h GLY 144 Ca 0.13 -0.90 -0.30 0.00 0.00 0.00 0.00 47.33 46.26 3dd5 h GLY 144 CO 0.05 0.80 -1.35 1.48 0.00 0.00 0.00 176.54 177.52 3dd5 h SER 145 N 0.43 0.58 0.44 0.19 4.64 -1.20 -3.36 113.55 115.26 3dd5 h SER 145 Ca -0.03 -0.63 -0.02 0.00 -0.47 0.00 0.00 61.79 60.64 3dd5 h SER 145 Cb 1.29 -0.19 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 3dd5 h SER 145 CO 0.13 1.49 -0.21 0.40 -0.87 0.00 0.00 176.83 177.77 3dd5 h ILE 146 N 0.10 0.50 -1.45 0.95 2.04 -1.48 -3.20 117.51 114.97 3dd5 h ILE 146 Ca -0.19 -0.39 0.47 0.00 1.00 0.00 0.00 64.86 65.75 3dd5 h ILE 146 Cb 2.05 0.67 -0.11 0.00 -0.74 0.00 0.00 36.82 38.68 3dd5 h ILE 146 CO 0.23 0.06 0.97 -1.54 0.00 0.00 0.00 178.15 177.88 3dd5 n SER 147 N -5.25 0.14 -0.98 1.72 3.41 -1.06 0.29 113.62 111.89 3dd5 n SER 147 Ca -0.11 1.18 0.11 0.00 -0.26 0.00 0.00 58.87 59.80 3dd5 n SER 147 Cb 0.30 -0.58 0.26 0.00 -0.26 0.00 0.00 64.21 63.93 3dd5 n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dd5 n GLY 148 N -1.59 1.34 3.81 5.00 0.00 -1.21 -4.82 105.19 107.72 3dd5 n GLY 148 Ca 0.39 -0.63 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3dd5 n GLY 148 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3dd5 s LEU 149 N -1.41 3.87 0.96 0.99 1.43 0.15 -5.02 118.68 119.65 3dd5 s LEU 149 Ca 0.37 1.76 -0.13 0.00 -1.03 0.00 0.00 54.13 55.10 3dd5 s LEU 149 Cb 0.21 -4.54 0.03 0.00 0.03 0.00 0.00 46.19 41.91 3dd5 s LEU 149 CO 0.29 -0.54 0.30 -1.54 0.23 0.00 0.00 176.35 175.09 3dd5 n SER 150 N -0.87 -2.39 0.13 2.29 3.41 -1.26 -4.79 113.62 110.15 3dd5 n SER 150 Ca 0.08 0.30 0.06 0.00 -0.26 0.00 0.00 58.87 59.05 3dd5 n SER 150 Cb 0.53 -1.16 0.53 0.00 -0.26 0.00 0.00 64.21 63.86 3dd5 n SER 150 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 3dd5 h THR 151 N -1.54 1.05 -0.02 6.66 2.02 -2.00 -2.99 112.91 116.08 3dd5 h THR 151 Ca -0.44 -0.09 -0.22 0.00 0.77 0.00 0.00 66.41 66.43 3dd5 h THR 151 Cb 1.29 0.76 0.02 0.00 -1.74 0.00 0.00 68.15 68.47 3dd5 h THR 151 CO 0.34 0.05 -0.84 0.71 0.37 0.00 0.00 175.52 176.14 3dd5 h THR 152 N 0.27 1.33 -0.84 3.16 1.35 -2.01 -3.00 112.91 113.18 3dd5 h THR 152 Ca 0.07 -2.14 -0.02 0.00 -0.55 0.00 0.00 66.41 63.77 3dd5 h THR 152 Cb -0.03 2.40 -0.04 0.00 -1.73 0.00 0.00 68.15 68.75 3dd5 h THR 152 CO -0.02 0.65 0.43 0.40 -0.25 0.00 0.00 175.52 176.73 3dd5 h ILE 153 N 0.23 1.25 -0.34 6.82 2.04 -1.90 -1.57 117.51 124.05 3dd5 h ILE 153 Ca -0.10 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.10 3dd5 h ILE 153 Cb 1.51 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3dd5 h ILE 153 CO 0.17 0.29 0.22 0.11 0.00 0.00 0.00 178.15 178.94 3dd5 h LYS 154 N 1.19 0.44 0.00 2.37 1.57 -1.52 -0.56 116.57 120.06 3dd5 h LYS 154 Ca 0.29 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 59.04 3dd5 h LYS 154 Cb 0.07 -0.10 -0.00 0.00 0.08 0.00 0.00 32.23 32.28 3dd5 h LYS 154 CO -0.04 0.29 -0.02 -0.91 -0.57 0.00 0.00 179.45 178.20 3dd5 h ASN 155 N 0.46 0.00 0.64 0.86 2.35 -1.14 -2.79 115.58 115.96 3dd5 h ASN 155 Ca 0.12 0.00 -0.27 0.00 -0.55 0.00 0.00 56.30 55.61 3dd5 h ASN 155 Cb -0.05 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.27 3dd5 h ASN 155 CO -0.03 0.02 -1.50 -0.61 -1.65 0.00 0.00 177.43 173.66 3dd5 h GLN 156 N 0.00 0.00 -6.52 0.81 4.15 -1.00 -3.43 115.11 109.12 3dd5 h GLN 156 Ca -0.00 0.00 -0.56 0.00 0.77 0.00 0.00 58.65 58.86 3dd5 h GLN 156 Cb 0.26 0.00 -0.06 0.00 0.21 0.00 0.00 27.48 27.89 3dd5 h GLN 156 CO 0.00 0.63 1.05 0.42 -1.93 0.00 0.00 178.83 179.00 3dd5 s ILE 157 N -2.64 3.92 -0.18 2.39 1.01 -0.94 -0.56 121.20 124.21 3dd5 s ILE 157 Ca -0.03 0.87 0.22 0.00 0.00 0.00 0.00 60.65 61.71 3dd5 s ILE 157 Cb 0.09 -4.45 -0.10 0.00 0.01 0.00 0.00 42.46 38.01 3dd5 s ILE 157 CO 0.82 -1.05 0.88 0.29 0.00 0.00 0.00 174.94 175.88 3dd5 n LYS 158 N 8.33 0.62 -3.60 2.79 4.76 0.15 -4.91 118.16 126.30 3dd5 n LYS 158 Ca 0.13 0.04 -0.02 0.00 -2.87 0.00 0.00 58.31 55.59 3dd5 n LYS 158 Cb 0.49 -1.74 -0.05 0.00 -1.84 0.00 0.00 35.03 31.89 3dd5 n LYS 158 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 3dd5 s GLY 159 N -4.42 -0.57 -0.08 0.72 0.00 -1.25 -4.70 107.32 97.02 3dd5 s GLY 159 Ca -0.03 2.54 0.03 0.00 0.00 0.00 0.00 44.72 47.26 3dd5 s GLY 159 CO 0.82 2.94 -0.19 0.14 0.00 0.00 0.00 173.10 176.82 3dd5 s VAL 160 N 2.48 2.57 -0.17 1.40 1.01 -0.50 -1.00 120.40 126.19 3dd5 s VAL 160 Ca -0.06 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.05 3dd5 s VAL 160 Cb -0.09 -2.00 0.01 0.00 0.00 0.00 0.00 36.38 34.29 3dd5 s VAL 160 CO -0.19 0.56 -0.16 0.68 0.00 0.00 0.00 175.10 175.99 3dd5 s VAL 161 N -0.05 2.50 -0.32 2.92 -7.23 0.66 -0.63 120.40 118.26 3dd5 s VAL 161 Ca -0.05 -0.81 0.02 0.00 -1.81 0.00 0.00 61.98 59.33 3dd5 s VAL 161 Cb -0.14 -2.06 0.10 0.00 0.56 0.00 0.00 36.38 34.83 3dd5 s VAL 161 CO 0.04 0.51 0.05 -0.76 -0.31 0.00 0.00 175.10 174.64 3dd5 s LEU 162 N 1.06 3.85 -0.21 1.32 1.43 -0.38 -0.99 118.68 124.76 3dd5 s LEU 162 Ca -0.01 -1.92 -0.16 0.00 -1.03 0.00 0.00 54.13 51.01 3dd5 s LEU 162 Cb -0.14 -1.37 -0.04 0.00 0.03 0.00 0.00 46.19 44.66 3dd5 s LEU 162 CO -0.05 -0.38 0.40 -0.36 0.23 0.00 0.00 176.35 176.20 3dd5 s PHE 163 N 1.15 3.36 -0.98 0.29 0.08 -0.77 0.63 117.98 121.74 3dd5 s PHE 163 Ca 0.09 0.60 -0.03 0.00 0.12 0.00 0.00 56.93 57.71 3dd5 s PHE 163 Cb -0.18 -2.54 -0.04 0.00 -0.57 0.00 0.00 43.02 39.69 3dd5 s PHE 163 CO -0.13 -0.04 0.84 0.41 -0.10 0.00 0.00 175.22 176.20 3dd5 n GLY 164 N 4.00 -0.70 3.58 4.36 0.00 0.34 -1.32 105.19 115.45 3dd5 n GLY 164 Ca -0.08 0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.86 3dd5 n GLY 164 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dd5 s TYR 165 N -3.34 1.34 0.19 1.61 5.04 -1.26 -3.00 117.35 117.93 3dd5 s TYR 165 Ca 0.26 0.87 -0.10 0.00 -2.44 0.00 0.00 57.07 55.66 3dd5 s TYR 165 Cb -0.03 -3.90 0.12 0.00 0.35 0.00 0.00 41.96 38.50 3dd5 s TYR 165 CO 0.65 -3.20 1.77 1.79 -1.34 0.00 0.00 175.55 175.22 3dd5 h THR 166 N 7.19 1.24 -0.67 4.34 1.35 -1.73 -1.92 112.91 122.70 3dd5 h THR 166 Ca -0.33 -0.70 -0.42 0.00 -0.55 0.00 0.00 66.41 64.41 3dd5 h THR 166 Cb 1.22 0.41 -0.20 0.00 -1.73 0.00 0.00 68.15 67.85 3dd5 h THR 166 CO 1.06 0.29 0.53 0.29 -0.25 0.00 0.00 175.52 177.44 3dd5 n LYS 167 N -4.41 2.02 0.05 4.72 4.76 -1.26 -4.53 118.16 119.52 3dd5 n LYS 167 Ca 0.05 -2.13 -0.13 0.00 -2.87 0.00 0.00 58.31 53.23 3dd5 n LYS 167 Cb 0.15 -1.84 -0.08 0.00 -1.84 0.00 0.00 35.03 31.42 3dd5 n LYS 167 CO 0.00 0.00 0.00 -0.97 -1.37 0.00 0.00 177.40 175.06 3dd5 h ASN 168 N 1.30 -0.08 0.06 4.39 -1.24 -1.60 -1.78 115.58 116.63 3dd5 h ASN 168 Ca 0.42 -0.16 -0.15 0.00 0.71 0.00 0.00 56.30 57.11 3dd5 h ASN 168 Cb 1.39 0.02 -0.01 0.00 0.73 0.00 0.00 38.32 40.45 3dd5 h ASN 168 CO 0.95 0.11 -0.53 0.25 -1.29 0.00 0.00 177.43 176.92 3dd5 h LEU 169 N -0.27 0.56 -0.05 0.34 5.85 -1.82 0.44 115.31 120.36 3dd5 h LEU 169 Ca -0.01 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.37 3dd5 h LEU 169 Cb 0.23 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3dd5 h LEU 169 CO 0.02 0.99 -0.16 -0.61 -0.34 0.00 0.00 178.44 178.34 3dd5 h GLN 170 N 0.39 0.20 -0.62 1.25 4.15 -1.88 -3.31 115.11 115.29 3dd5 h GLN 170 Ca 0.01 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.29 3dd5 h GLN 170 Cb 1.06 0.02 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3dd5 h GLN 170 CO 0.10 0.76 0.00 0.09 -1.93 0.00 0.00 178.83 177.85 3dd5 n ASN 171 N -4.60 3.17 -4.20 -0.69 3.02 -0.67 -4.91 115.26 106.39 3dd5 n ASN 171 Ca -0.08 -2.32 -0.35 0.00 -0.03 0.00 0.00 54.58 51.80 3dd5 n ASN 171 Cb 0.40 -0.48 -0.03 0.00 -0.61 0.00 0.00 39.78 39.06 3dd5 n ASN 171 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3dd5 n LEU 172 N 0.54 -1.74 -0.56 3.41 7.99 -0.92 -2.40 117.00 123.32 3dd5 n LEU 172 Ca 0.16 -1.02 -0.07 0.00 -0.01 0.00 0.00 56.01 55.06 3dd5 n LEU 172 Cb 0.62 -2.08 -0.03 0.00 -0.11 0.00 0.00 43.42 41.82 3dd5 n LEU 172 CO 0.15 0.31 -0.07 0.61 -1.51 0.00 0.00 177.39 176.89 3dd5 n GLY 173 N -1.50 0.91 2.12 -0.72 0.00 0.15 -4.98 105.19 101.16 3dd5 n GLY 173 Ca 0.02 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.48 3dd5 n GLY 173 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 3dd5 n ARG 174 N -2.25 0.57 -3.95 1.61 1.85 -1.01 -4.86 116.66 108.64 3dd5 n ARG 174 Ca -0.07 -2.18 -0.35 0.00 -1.00 0.00 0.00 57.85 54.24 3dd5 n ARG 174 Cb 0.31 1.36 -0.14 0.00 -1.05 0.00 0.00 32.46 32.94 3dd5 n ARG 174 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 3dd5 s ILE 175 N -2.63 3.44 0.28 8.89 1.01 -1.26 -4.79 121.20 126.14 3dd5 s ILE 175 Ca 0.17 -0.47 -0.29 0.00 0.00 0.00 0.00 60.65 60.06 3dd5 s ILE 175 Cb 0.01 -2.56 -0.14 0.00 0.01 0.00 0.00 42.46 39.78 3dd5 s ILE 175 CO 0.12 0.42 1.15 -2.65 0.00 0.00 0.00 174.94 173.98 3dd5 n PRO 176 N 4.71 1.60 -4.08 2.79 -0.02 -1.26 -1.46 135.00 137.28 3dd5 n PRO 176 Ca -0.18 0.56 -0.28 0.00 -2.02 0.00 0.00 63.50 61.58 3dd5 n PRO 176 Cb 0.51 -2.03 -0.04 0.00 -0.02 0.00 0.00 33.50 31.91 3dd5 n PRO 176 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 3dd5 n ASN 177 N 1.35 -0.31 -3.55 2.55 3.02 -1.26 -4.25 115.26 112.80 3dd5 n ASN 177 Ca 0.09 -1.08 -0.11 0.00 -0.03 0.00 0.00 54.58 53.46 3dd5 n ASN 177 Cb 0.32 -2.64 -0.10 0.00 -0.61 0.00 0.00 39.78 36.75 3dd5 n ASN 177 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3dd5 s PHE 178 N -3.99 -0.65 -0.05 3.10 5.36 -0.53 -4.80 117.98 116.42 3dd5 s PHE 178 Ca 0.09 1.04 -0.38 0.00 -0.96 0.00 0.00 56.93 56.72 3dd5 s PHE 178 Cb -0.05 0.06 -0.16 0.00 -0.34 0.00 0.00 43.02 42.53 3dd5 s PHE 178 CO 0.92 -0.53 1.49 -1.91 -1.46 0.00 0.00 175.22 173.73 3dd5 n GLU 179 N 5.37 1.17 -0.24 10.12 0.00 -1.26 -4.47 120.64 131.33 3dd5 n GLU 179 Ca -0.06 0.42 0.21 0.00 0.00 0.00 0.00 57.16 57.74 3dd5 n GLU 179 Cb 0.50 -2.09 0.55 0.00 0.00 0.00 0.00 31.44 30.40 3dd5 n GLU 179 CO 0.00 0.00 0.00 1.79 0.00 0.00 0.00 177.13 178.92 3dd5 h THR 180 N 4.04 0.64 -0.84 6.31 1.35 -1.93 -2.52 112.91 119.95 3dd5 h THR 180 Ca -0.47 -0.11 0.08 0.00 -0.55 0.00 0.00 66.41 65.35 3dd5 h THR 180 Cb 1.33 0.29 -0.06 0.00 -1.73 0.00 0.00 68.15 67.98 3dd5 h THR 180 CO 0.85 0.06 0.55 0.77 -0.25 0.00 0.00 175.52 177.49 3dd5 h SER 181 N 0.33 0.78 -0.12 5.36 4.64 -2.01 -1.21 113.55 121.32 3dd5 h SER 181 Ca 0.47 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.80 3dd5 h SER 181 Cb 1.29 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3dd5 h SER 181 CO -0.16 0.49 0.00 0.29 -0.87 0.00 0.00 176.83 176.58 3dd5 n LYS 182 N -4.50 1.45 -4.54 4.77 5.02 -0.95 -4.84 118.16 114.58 3dd5 n LYS 182 Ca 0.13 -0.69 -0.33 0.00 -2.02 0.00 0.00 58.31 55.40 3dd5 n LYS 182 Cb 0.26 -1.32 -0.14 0.00 -0.02 0.00 0.00 35.03 33.82 3dd5 n LYS 182 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3dd5 s THR 183 N -1.84 3.36 -0.05 -0.18 2.01 -0.46 -1.41 115.64 117.08 3dd5 s THR 183 Ca 0.27 -0.54 0.05 0.00 0.31 0.00 0.00 61.69 61.79 3dd5 s THR 183 Cb 0.14 -2.45 -0.02 0.00 0.01 0.00 0.00 72.50 70.18 3dd5 s THR 183 CO 0.21 0.50 -0.21 -0.70 -0.69 0.00 0.00 174.62 173.73 3dd5 s GLU 184 N 0.50 2.48 -0.13 4.92 2.56 0.20 -4.97 118.70 124.26 3dd5 s GLU 184 Ca -0.07 -0.83 -0.00 0.00 0.00 0.00 0.00 54.97 54.07 3dd5 s GLU 184 Cb -0.15 -2.23 0.02 0.00 2.00 0.00 0.00 34.13 33.77 3dd5 s GLU 184 CO 0.04 0.49 -0.11 0.08 -0.56 0.00 0.00 175.26 175.20 3dd5 s VAL 185 N -0.41 1.29 -0.34 3.70 1.01 -1.26 -1.24 120.40 123.15 3dd5 s VAL 185 Ca 0.04 -0.48 -0.08 0.00 0.00 0.00 0.00 61.98 61.46 3dd5 s VAL 185 Cb -0.12 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.02 3dd5 s VAL 185 CO 0.02 0.39 0.13 -0.31 0.00 0.00 0.00 175.10 175.33 3dd5 s TYR 186 N 1.60 3.22 -0.19 5.22 1.51 0.21 -4.96 117.35 123.94 3dd5 s TYR 186 Ca 0.05 -1.08 -0.01 0.00 -1.01 0.00 0.00 57.07 55.01 3dd5 s TYR 186 Cb -0.13 -2.33 0.05 0.00 -0.11 0.00 0.00 41.96 39.45 3dd5 s TYR 186 CO -0.09 -0.64 -0.01 0.00 -1.11 0.00 0.00 175.55 173.69 3dd5 s ASP 188 N 1.68 4.98 0.00 0.00 -1.08 -1.26 -4.97 116.67 116.01 3dd5 s ASP 188 Ca -0.02 2.08 0.28 0.00 -0.52 0.00 0.00 52.55 54.37 3dd5 s ASP 188 Cb -0.17 -2.56 0.99 0.00 -1.46 0.00 0.00 42.92 39.73 3dd5 s ASP 188 CO -0.07 -1.72 1.75 2.30 0.52 0.00 0.00 175.17 177.94 3dd5 n ILE 189 N -2.39 0.00 0.38 4.11 -5.35 -1.26 -2.78 119.36 112.07 3dd5 n ILE 189 Ca 0.11 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.70 3dd5 n ILE 189 Cb 0.52 -0.18 0.22 0.00 -1.74 0.00 0.00 39.64 38.46 3dd5 n ILE 189 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3dd5 n ALA 190 N -1.40 2.43 -3.16 -1.28 0.00 -1.26 -4.89 120.51 110.95 3dd5 n ALA 190 Ca 0.08 -0.96 -0.45 0.00 0.00 0.00 0.00 53.44 52.10 3dd5 n ALA 190 Cb 0.33 -0.89 -0.04 0.00 0.00 0.00 0.00 19.45 18.85 3dd5 n ALA 190 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3dd5 s ASP 191 N -1.51 6.33 0.30 0.00 3.68 -1.12 -4.68 116.67 119.67 3dd5 s ASP 191 Ca 0.38 -1.76 0.01 0.00 2.13 0.00 0.00 52.55 53.31 3dd5 s ASP 191 Cb 0.23 -2.28 0.54 0.00 -1.45 0.00 0.00 42.92 39.95 3dd5 s ASP 191 CO 0.32 -0.98 1.89 0.00 0.13 0.00 0.00 175.17 176.52 3dd5 h ALA 192 N 8.88 1.52 -0.54 3.66 0.00 -1.88 -1.64 119.26 129.24 3dd5 h ALA 192 Ca -0.18 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.87 3dd5 h ALA 192 Cb 1.07 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3dd5 h ALA 192 CO 1.04 0.31 0.61 -0.39 0.00 0.00 0.00 179.25 180.82 3dd5 h VAL 193 N 1.02 0.28 -0.01 0.00 -1.51 -1.83 0.77 116.25 114.97 3dd5 h VAL 193 Ca 0.42 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.89 3dd5 h VAL 193 Cb 0.29 0.51 0.00 0.00 -2.13 0.00 0.00 31.29 29.96 3dd5 h VAL 193 CO -0.18 0.00 -0.08 0.00 -1.23 0.00 0.00 177.57 176.08 3dd5 n TYR 195 N -0.76 0.20 0.00 0.00 4.02 0.26 -4.04 117.16 116.85 3dd5 n TYR 195 Ca 0.17 -1.43 0.00 0.00 -0.01 0.00 0.00 57.90 56.63 3dd5 n TYR 195 Cb 0.27 -0.28 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 3dd5 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3dd5 n GLY 196 N -1.15 2.61 3.98 2.72 0.00 -1.22 -4.99 105.19 107.15 3dd5 n GLY 196 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 3dd5 n GLY 196 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3dd5 s THR 197 N -2.47 3.01 0.00 2.61 -4.23 -1.24 -5.06 115.64 108.26 3dd5 s THR 197 Ca 0.00 -0.79 0.00 0.00 -1.18 0.00 0.00 61.69 59.72 3dd5 s THR 197 Cb 0.00 -3.08 0.00 0.00 1.34 0.00 0.00 72.50 70.76 3dd5 s THR 197 CO 0.00 -0.04 0.18 0.18 -0.54 0.00 0.00 174.62 174.40 3dd5 n LEU 198 N -2.10 0.00 -0.03 4.79 4.77 -1.26 -3.57 117.00 119.60 3dd5 n LEU 198 Ca 0.07 -0.06 0.06 0.00 -0.03 0.00 0.00 56.01 56.05 3dd5 n LEU 198 Cb 0.59 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.52 3dd5 n LEU 198 CO 0.43 0.09 -0.83 0.49 -1.33 0.00 0.00 177.39 176.24 3dd5 n PHE 199 N 0.00 0.00 -3.57 -1.77 3.01 -1.26 -4.80 117.46 109.08 3dd5 n PHE 199 Ca 0.00 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.06 3dd5 n PHE 199 Cb 0.37 -0.58 -0.06 0.00 -0.01 0.00 0.00 39.48 39.20 3dd5 n PHE 199 CO 0.00 0.00 0.00 0.42 1.01 0.00 0.00 176.76 178.19 3dd5 s ILE 200 N -3.26 4.51 0.30 4.37 -1.09 -1.26 -5.08 121.20 119.69 3dd5 s ILE 200 Ca -0.08 -2.94 -0.09 0.00 -2.23 0.00 0.00 60.65 55.31 3dd5 s ILE 200 Cb 0.12 -3.85 -0.07 0.00 -1.58 0.00 0.00 42.46 37.09 3dd5 s ILE 200 CO 0.86 -0.97 0.62 -0.76 -1.23 0.00 0.00 174.94 173.46 3dd5 s LEU 201 N -0.21 4.04 1.02 2.97 1.02 -1.26 -4.22 118.68 122.03 3dd5 s LEU 201 Ca 0.19 0.94 -0.12 0.00 0.02 0.00 0.00 54.13 55.16 3dd5 s LEU 201 Cb -0.15 -3.75 0.17 0.00 0.02 0.00 0.00 46.19 42.48 3dd5 s LEU 201 CO -0.06 -0.20 0.89 -2.65 0.02 0.00 0.00 176.35 174.34 3dd5 n PRO 202 N -0.69 -1.11 0.13 1.29 -0.02 -1.26 -4.89 135.00 128.46 3dd5 n PRO 202 Ca 0.01 -0.28 -0.01 0.00 -2.02 0.00 0.00 63.50 61.20 3dd5 n PRO 202 Cb 0.53 -2.17 0.15 0.00 -0.02 0.00 0.00 33.50 31.99 3dd5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3dd5 h ALA 203 N -2.09 0.86 -2.62 3.55 0.00 -1.96 -3.46 119.26 113.54 3dd5 h ALA 203 Ca -0.49 -0.57 0.13 0.00 0.00 0.00 0.00 54.91 53.98 3dd5 h ALA 203 Cb 1.30 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.92 3dd5 h ALA 203 CO 0.42 0.78 0.38 -3.38 0.00 0.00 0.00 179.25 177.45 3dd5 s HIS 204 N -3.43 -0.16 -0.03 0.00 0.00 -1.26 -5.14 115.29 105.28 3dd5 s HIS 204 Ca -0.00 -0.21 -0.30 0.00 -3.00 0.00 0.00 55.06 51.55 3dd5 s HIS 204 Cb 0.12 0.67 -0.04 0.00 -4.00 0.00 0.00 32.58 29.32 3dd5 s HIS 204 CO 0.76 -1.00 1.30 0.12 -1.00 0.00 0.00 174.74 174.91 3dd5 s PHE 205 N -3.55 3.03 -0.92 0.38 5.36 -1.26 -4.96 117.98 116.06 3dd5 s PHE 205 Ca 0.12 1.02 0.21 0.00 -0.96 0.00 0.00 56.93 57.32 3dd5 s PHE 205 Cb -0.03 -3.54 -0.23 0.00 -0.34 0.00 0.00 43.02 38.88 3dd5 s PHE 205 CO 0.04 -1.86 0.85 1.28 -1.46 0.00 0.00 175.22 174.08 3dd5 n LEU 206 N 5.29 0.91 -1.41 6.12 4.77 -1.26 -4.52 117.00 126.91 3dd5 n LEU 206 Ca 0.12 -0.47 -0.10 0.00 -0.03 0.00 0.00 56.01 55.54 3dd5 n LEU 206 Cb 0.45 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.71 3dd5 n LEU 206 CO 0.57 0.23 0.73 -1.22 -1.33 0.00 0.00 177.39 176.37 3dd5 n TYR 207 N -1.54 1.53 0.17 -1.77 4.01 -1.26 -4.79 117.16 113.51 3dd5 n TYR 207 Ca 0.03 -1.79 -0.14 0.00 -0.16 0.00 0.00 57.90 55.84 3dd5 n TYR 207 Cb 0.34 -0.58 -0.08 0.00 -0.31 0.00 0.00 39.34 38.71 3dd5 n TYR 207 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3dd5 h GLN 208 N 1.18 -0.36 0.02 -0.72 5.75 -1.99 0.39 115.11 119.38 3dd5 h GLN 208 Ca 0.29 0.02 -0.21 0.00 -0.15 0.00 0.00 58.65 58.61 3dd5 h GLN 208 Cb 1.67 0.08 -0.02 0.00 1.07 0.00 0.00 27.48 30.29 3dd5 h GLN 208 CO 0.56 -0.21 -0.97 1.79 -2.65 0.00 0.00 178.83 177.35 3dd5 h THR 209 N -0.42 1.61 -0.76 2.39 1.35 -1.97 -1.78 112.91 113.33 3dd5 h THR 209 Ca -0.04 -3.08 0.01 0.00 -0.55 0.00 0.00 66.41 62.75 3dd5 h THR 209 Cb 0.32 2.71 -0.04 0.00 -1.73 0.00 0.00 68.15 69.41 3dd5 h THR 209 CO 0.06 0.88 0.49 0.44 -0.25 0.00 0.00 175.52 177.15 3dd5 h ASP 210 N 0.03 0.87 -0.12 5.36 3.32 -1.87 -0.94 116.42 123.08 3dd5 h ASP 210 Ca -0.03 -0.03 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3dd5 h ASP 210 Cb 1.68 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 41.01 3dd5 h ASP 210 CO 0.14 0.64 -0.22 0.00 -1.72 0.00 0.00 179.24 178.08 3dd5 h ALA 211 N 1.27 0.19 0.02 3.45 0.00 -0.04 0.19 119.26 124.34 3dd5 h ALA 211 Ca 0.28 -0.38 -0.23 0.00 0.00 0.00 0.00 54.91 54.58 3dd5 h ALA 211 Cb -0.11 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 3dd5 h ALA 211 CO -0.06 0.14 -1.08 0.00 0.00 0.00 0.00 179.25 178.25 3dd5 h ALA 212 N 0.54 0.34 0.00 0.00 0.00 -1.25 -3.38 119.26 115.50 3dd5 h ALA 212 Ca 0.01 -0.94 -0.01 0.00 0.00 0.00 0.00 54.91 53.96 3dd5 h ALA 212 Cb 0.80 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.50 3dd5 h ALA 212 CO 0.05 1.23 -0.38 0.28 0.00 0.00 0.00 179.25 180.43 3dd5 n VAL 213 N -3.36 1.26 -0.06 0.00 0.31 -0.37 -4.60 118.33 111.52 3dd5 n VAL 213 Ca -0.02 0.30 -0.15 0.00 -0.01 0.00 0.00 64.34 64.46 3dd5 n VAL 213 Cb 0.96 -1.81 -0.07 0.00 -0.91 0.00 0.00 33.84 32.01 3dd5 n VAL 213 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3dd5 h ALA 214 N -0.31 0.29 0.26 3.52 0.00 -1.46 -1.19 119.26 120.39 3dd5 h ALA 214 Ca -0.01 -0.46 -0.01 0.00 0.00 0.00 0.00 54.91 54.43 3dd5 h ALA 214 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3dd5 h ALA 214 CO -0.01 0.40 -0.13 0.00 0.00 0.00 0.00 179.25 179.51 3dd5 h ALA 215 N 0.58 -0.35 -0.95 0.00 0.00 -1.15 0.15 119.26 117.53 3dd5 h ALA 215 Ca 0.00 -0.12 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3dd5 h ALA 215 Cb 1.01 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.89 3dd5 h ALA 215 CO 0.09 -0.64 0.58 -1.35 0.00 0.00 0.00 179.25 177.94 3dd5 h PRO 216 N -0.48 1.28 -0.25 0.00 0.11 -1.73 0.21 132.00 131.14 3dd5 h PRO 216 Ca -0.04 -0.11 0.03 0.00 0.11 0.00 0.00 66.00 66.00 3dd5 h PRO 216 Cb 0.36 -0.27 -0.03 0.00 0.11 0.00 0.00 31.00 31.17 3dd5 h PRO 216 CO 0.06 0.89 0.06 -0.09 -0.21 0.00 0.00 178.00 178.70 3dd5 h ARG 217 N 1.31 0.15 -0.50 1.05 2.43 -1.17 0.15 114.38 117.79 3dd5 h ARG 217 Ca 0.34 -0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.38 3dd5 h ARG 217 Cb -0.08 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 29.43 3dd5 h ARG 217 CO -0.07 0.10 -0.16 0.35 -1.51 0.00 0.00 179.97 178.68 3dd5 h PHE 218 N 0.16 1.13 -0.29 2.20 3.57 -0.39 -3.11 116.94 120.20 3dd5 h PHE 218 Ca 0.11 -0.26 -0.15 0.00 3.53 0.00 0.00 57.97 61.21 3dd5 h PHE 218 Cb 0.11 -0.27 -0.01 0.00 2.79 0.00 0.00 35.95 38.57 3dd5 h PHE 218 CO -0.15 1.07 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.51 3dd5 h LEU 219 N 0.85 0.76 -1.21 0.59 3.38 -0.38 -3.13 115.31 116.18 3dd5 h LEU 219 Ca 0.12 -0.35 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 3dd5 h LEU 219 Cb 0.73 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3dd5 h LEU 219 CO 0.06 1.08 -0.08 -0.61 0.09 0.00 0.00 178.44 178.97 3dd5 h GLN 220 N 0.58 0.45 0.00 1.13 4.15 -0.98 -2.01 115.11 118.42 3dd5 h GLN 220 Ca 0.04 -0.11 0.00 0.00 0.77 0.00 0.00 58.65 59.35 3dd5 h GLN 220 Cb 0.97 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.60 3dd5 h GLN 220 CO 0.09 0.54 0.00 0.00 -1.93 0.00 0.00 178.83 177.53 3dd5 h ALA 221 N 1.50 1.00 0.00 3.38 0.00 -1.53 -2.52 119.26 121.09 3dd5 h ALA 221 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3dd5 h ALA 221 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3dd5 h ALA 221 CO 0.02 0.00 -0.92 0.54 0.00 0.00 0.00 179.25 178.89 3dd5 n ARG 222 N -2.90 0.19 -0.05 0.00 5.12 -0.92 -4.45 116.66 113.65 3dd5 n ARG 222 Ca 0.03 -0.00 -0.22 0.00 -1.93 0.00 0.00 57.85 55.73 3dd5 n ARG 222 Cb 0.39 -1.56 -0.13 0.00 -1.16 0.00 0.00 32.46 30.01 3dd5 n ARG 222 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 3dd5 h ILE 223 N 0.00 0.78 0.00 0.55 2.04 -1.26 -3.46 117.51 116.16 3dd5 h ILE 223 Ca 0.00 -2.26 0.00 0.00 1.00 0.00 0.00 64.86 63.60 3dd5 h ILE 223 Cb 0.65 2.36 0.00 0.00 -0.74 0.00 0.00 36.82 39.09 3dd5 h ILE 223 CO 0.00 0.60 0.00 0.61 0.00 0.00 0.00 178.15 179.36