#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ngm n GLY 62 N 0.00 0.57 3.27 0.46 0.00 -1.26 -4.58 105.19 103.65 1ngm n GLY 62 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1ngm n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ngm s ILE 63 N 1.95 0.05 -0.17 -0.61 1.01 -1.26 -5.15 121.20 117.02 1ngm s ILE 63 Ca 0.00 -0.43 -0.04 0.00 0.00 0.00 0.00 60.65 60.18 1ngm s ILE 63 Cb 0.00 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.90 1ngm s ILE 63 CO 0.00 -0.24 0.24 0.54 0.00 0.00 0.00 174.94 175.48 1ngm s VAL 64 N -1.33 -0.36 0.02 2.92 0.11 -1.26 -4.98 120.40 115.52 1ngm s VAL 64 Ca -0.13 0.04 -0.32 0.00 -2.93 0.00 0.00 61.98 58.64 1ngm s VAL 64 Cb -0.05 -0.59 -0.10 0.00 -1.53 0.00 0.00 36.38 34.11 1ngm s VAL 64 CO 0.05 -0.08 1.90 -2.65 -3.33 0.00 0.00 175.10 170.99 1ngm n PRO 65 N 5.33 2.62 -1.69 1.54 -0.02 -1.26 -4.97 135.00 136.55 1ngm n PRO 65 Ca -0.05 0.96 -0.32 0.00 -2.02 0.00 0.00 63.50 62.06 1ngm n PRO 65 Cb 0.50 -2.86 0.05 0.00 -0.02 0.00 0.00 33.50 31.16 1ngm n PRO 65 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1ngm s THR 66 N 3.83 3.42 -0.27 3.45 -4.23 -1.05 -4.77 115.64 116.01 1ngm s THR 66 Ca 0.88 0.60 -0.12 0.00 -1.18 0.00 0.00 61.69 61.88 1ngm s THR 66 Cb -0.53 -3.13 -0.05 0.00 1.34 0.00 0.00 72.50 70.13 1ngm s THR 66 CO 0.44 -0.46 0.22 -0.76 -0.54 0.00 0.00 174.62 173.52 1ngm s LEU 67 N -5.06 4.05 -0.01 4.79 1.43 -1.26 -1.75 118.68 120.87 1ngm s LEU 67 Ca 0.65 0.08 0.20 0.00 -1.03 0.00 0.00 54.13 54.02 1ngm s LEU 67 Cb -0.19 -2.18 -0.22 0.00 0.03 0.00 0.00 46.19 43.64 1ngm s LEU 67 CO 0.45 -0.05 0.57 0.00 0.23 0.00 0.00 176.35 177.54 1ngm n GLN 68 N 4.94 0.65 -3.65 1.70 1.13 0.89 -4.76 117.38 118.28 1ngm n GLN 68 Ca -0.13 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.91 1ngm n GLN 68 Cb 0.52 -1.64 -0.05 0.00 0.11 0.00 0.00 30.24 29.17 1ngm n GLN 68 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1ngm s ASN 69 N -5.20 -1.03 -0.11 1.08 3.04 -0.96 -4.63 114.94 107.14 1ngm s ASN 69 Ca -0.06 1.51 0.03 0.00 0.04 0.00 0.00 52.86 54.38 1ngm s ASN 69 Cb 0.10 2.08 0.01 0.00 -1.54 0.00 0.00 41.25 41.90 1ngm s ASN 69 CO 0.85 -0.22 -0.20 -0.63 -3.04 0.00 0.00 177.10 173.85 1ngm s ILE 70 N 2.69 1.83 -0.20 -5.21 1.01 -0.42 0.13 121.20 121.03 1ngm s ILE 70 Ca -0.06 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 59.69 1ngm s ILE 70 Cb -0.11 -1.61 -0.01 0.00 0.01 0.00 0.00 42.46 40.73 1ngm s ILE 70 CO -0.18 0.51 -0.04 -0.69 0.00 0.00 0.00 174.94 174.53 1ngm s VAL 71 N 0.66 3.50 0.23 2.92 1.01 0.13 -3.32 120.40 125.53 1ngm s VAL 71 Ca -0.12 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1ngm s VAL 71 Cb -0.16 -2.57 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 1ngm s VAL 71 CO 0.03 0.44 0.04 0.00 0.00 0.00 0.00 175.10 175.61 1ngm s ALA 72 N 1.16 1.70 0.09 5.51 0.00 0.22 0.09 121.76 130.53 1ngm s ALA 72 Ca 0.02 -1.79 0.09 0.00 0.00 0.00 0.00 51.96 50.28 1ngm s ALA 72 Cb -0.14 0.75 -0.03 0.00 0.00 0.00 0.00 23.12 23.69 1ngm s ALA 72 CO -0.01 -0.36 -0.23 0.95 0.00 0.00 0.00 175.76 176.12 1ngm s THR 73 N -3.61 1.85 -0.03 0.00 -4.23 -0.50 -0.22 115.64 108.90 1ngm s THR 73 Ca 0.32 -1.50 -0.02 0.00 -1.18 0.00 0.00 61.69 59.31 1ngm s THR 73 Cb 0.07 -1.65 0.02 0.00 1.34 0.00 0.00 72.50 72.28 1ngm s THR 73 CO 0.10 0.07 0.07 -0.69 -0.54 0.00 0.00 174.62 173.63 1ngm s VAL 74 N -1.03 -0.02 -0.50 2.29 1.01 0.10 -2.45 120.40 119.80 1ngm s VAL 74 Ca 0.09 0.07 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 1ngm s VAL 74 Cb -0.10 -0.12 0.11 0.00 0.00 0.00 0.00 36.38 36.27 1ngm s VAL 74 CO 0.04 0.03 0.42 -0.89 0.00 0.00 0.00 175.10 174.70 1ngm s THR 75 N 0.42 4.96 0.55 3.92 2.01 -0.16 0.67 115.64 128.01 1ngm s THR 75 Ca -0.03 -1.42 0.36 0.00 0.31 0.00 0.00 61.69 60.91 1ngm s THR 75 Cb -0.05 -4.11 0.39 0.00 0.01 0.00 0.00 72.50 68.74 1ngm s THR 75 CO -0.02 -0.74 2.25 -0.07 -0.69 0.00 0.00 174.62 175.36 1ngm h LEU 76 N 8.73 0.00 0.03 4.42 3.38 -1.46 -3.04 115.31 127.37 1ngm h LEU 76 Ca -0.27 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.68 1ngm h LEU 76 Cb 1.10 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.84 1ngm h LEU 76 CO 0.94 0.02 -0.01 0.61 0.09 0.00 0.00 178.44 180.09 1ngm n GLY 77 N -0.99 0.47 3.09 0.83 0.00 -1.26 -0.57 105.19 106.76 1ngm n GLY 77 Ca -0.02 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.35 1ngm n GLY 77 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ARG 79 N -0.18 3.15 0.01 0.00 0.52 -1.06 -3.84 118.95 117.55 1ngm s ARG 79 Ca -0.03 2.28 -0.05 0.00 -0.52 0.00 0.00 55.73 57.41 1ngm s ARG 79 Cb -0.02 -2.28 -0.01 0.00 0.52 0.00 0.00 34.95 33.16 1ngm s ARG 79 CO 0.01 -1.20 0.08 -0.48 0.02 0.00 0.00 175.30 173.73 1ngm s LEU 80 N -3.49 1.80 -0.24 2.53 2.34 -0.56 -4.93 118.68 116.13 1ngm s LEU 80 Ca 0.71 -0.33 -0.23 0.00 0.06 0.00 0.00 54.13 54.34 1ngm s LEU 80 Cb -0.41 0.48 -0.01 0.00 -0.56 0.00 0.00 46.19 45.69 1ngm s LEU 80 CO 0.49 -0.36 0.76 -0.62 -1.06 0.00 0.00 176.35 175.57 1ngm s ASP 81 N -1.47 6.76 0.23 1.48 -1.08 -1.26 -4.62 116.67 116.72 1ngm s ASP 81 Ca -0.15 0.94 0.08 0.00 -0.52 0.00 0.00 52.55 52.91 1ngm s ASP 81 Cb -0.08 -2.41 0.22 0.00 -1.46 0.00 0.00 42.92 39.19 1ngm s ASP 81 CO 0.00 -0.46 1.53 -0.07 0.52 0.00 0.00 175.17 176.70 1ngm h LEU 82 N 9.00 0.08 -0.50 -1.34 3.38 -1.95 -2.83 115.31 121.16 1ngm h LEU 82 Ca -0.25 -0.05 -0.14 0.00 0.09 0.00 0.00 57.88 57.53 1ngm h LEU 82 Cb 1.11 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 1ngm h LEU 82 CO 0.84 0.75 -0.27 0.50 0.09 0.00 0.00 178.44 180.35 1ngm h LYS 83 N 0.04 0.94 -0.22 1.13 3.64 -1.99 -1.97 116.57 118.14 1ngm h LYS 83 Ca -0.01 -0.43 -0.01 0.00 -1.27 0.00 0.00 60.65 58.93 1ngm h LYS 83 Cb 1.24 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1ngm h LYS 83 CO 0.10 1.09 0.10 1.15 -2.27 0.00 0.00 179.45 179.62 1ngm h THR 84 N 0.80 1.14 -0.50 1.00 2.02 -1.95 -2.12 112.91 113.31 1ngm h THR 84 Ca 0.09 -0.41 -0.04 0.00 0.77 0.00 0.00 66.41 66.82 1ngm h THR 84 Cb 0.84 1.01 -0.02 0.00 -1.74 0.00 0.00 68.15 68.24 1ngm h THR 84 CO 0.07 0.14 0.15 1.62 0.37 0.00 0.00 175.52 177.87 1ngm h VAL 85 N 0.23 1.23 -0.84 3.16 3.04 -1.48 -2.46 116.25 119.13 1ngm h VAL 85 Ca 0.08 -0.79 -0.02 0.00 -1.01 0.00 0.00 66.70 64.96 1ngm h VAL 85 Cb 0.13 0.81 -0.04 0.00 -2.01 0.00 0.00 31.29 30.17 1ngm h VAL 85 CO -0.01 0.29 0.44 0.00 -1.01 0.00 0.00 177.57 177.28 1ngm h ALA 86 N 1.01 1.19 -0.00 3.17 0.00 -1.32 -1.76 119.26 121.54 1ngm h ALA 86 Ca 0.16 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ngm h ALA 86 Cb 0.29 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ngm h ALA 86 CO -0.00 0.64 -0.02 1.28 0.00 0.00 0.00 179.25 181.14 1ngm n LEU 87 N -4.33 0.18 -0.11 0.00 4.77 -0.80 -3.33 117.00 113.39 1ngm n LEU 87 Ca 0.09 0.08 0.01 0.00 -0.03 0.00 0.00 56.01 56.16 1ngm n LEU 87 Cb 0.11 -0.14 0.01 0.00 -2.33 0.00 0.00 43.42 41.07 1ngm n LEU 87 CO 0.39 0.03 0.27 1.41 -1.33 0.00 0.00 177.39 178.16 1ngm n HIS 88 N -1.03 0.00 -4.33 -1.77 8.25 -0.81 -5.03 115.22 110.50 1ngm n HIS 88 Ca 0.18 0.00 -0.32 0.00 -0.26 0.00 0.00 57.72 57.33 1ngm n HIS 88 Cb 0.21 0.00 -0.16 0.00 1.12 0.00 0.00 29.99 31.15 1ngm n HIS 88 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1ngm s ALA 89 N -0.31 2.13 0.00 -1.41 0.00 -0.73 -5.04 121.76 116.39 1ngm s ALA 89 Ca 0.03 -1.05 0.00 0.00 0.00 0.00 0.00 51.96 50.94 1ngm s ALA 89 Cb 0.02 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1ngm s ALA 89 CO 0.04 -0.21 0.14 -2.13 0.00 0.00 0.00 175.76 173.60 1ngm n ARG 90 N 4.40 0.00 -3.37 0.00 3.00 -1.26 -3.79 116.66 115.65 1ngm n ARG 90 Ca -0.20 0.14 -0.39 0.00 -0.00 0.00 0.00 57.85 57.40 1ngm n ARG 90 Cb 0.51 -0.47 -0.09 0.00 0.00 0.00 0.00 32.46 32.41 1ngm n ARG 90 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.63 176.83 1ngm s ASN 91 N -1.94 6.27 -0.31 6.15 0.01 -1.26 -4.94 114.94 118.91 1ngm s ASN 91 Ca 0.00 0.24 -0.12 0.00 -0.71 0.00 0.00 52.86 52.27 1ngm s ASN 91 Cb 0.00 -2.22 0.19 0.00 0.41 0.00 0.00 41.25 39.64 1ngm s ASN 91 CO 0.00 -0.23 1.13 0.00 -1.51 0.00 0.00 177.10 176.49 1ngm s ALA 92 N 2.11 -4.83 0.24 0.60 0.00 -1.25 -3.10 121.76 115.53 1ngm s ALA 92 Ca 0.15 1.35 -0.29 0.00 0.00 0.00 0.00 51.96 53.17 1ngm s ALA 92 Cb -0.16 -3.06 -0.09 0.00 0.00 0.00 0.00 23.12 19.81 1ngm s ALA 92 CO 0.10 -2.55 0.91 -1.83 0.00 0.00 0.00 175.76 172.39 1ngm s GLU 93 N 1.81 4.78 -0.15 0.00 -1.05 0.87 -4.85 118.70 120.12 1ngm s GLU 93 Ca 0.16 1.41 -0.04 0.00 -0.15 0.00 0.00 54.97 56.35 1ngm s GLU 93 Cb 0.06 -3.22 0.06 0.00 -0.44 0.00 0.00 34.13 30.59 1ngm s GLU 93 CO -0.15 0.50 0.13 -0.47 0.95 0.00 0.00 175.26 176.22 1ngm s TYR 94 N -1.23 -0.00 -0.37 4.83 5.04 -1.26 0.16 117.35 124.52 1ngm s TYR 94 Ca 0.41 0.05 0.01 0.00 -2.44 0.00 0.00 57.07 55.10 1ngm s TYR 94 Cb -0.25 -0.51 0.12 0.00 0.35 0.00 0.00 41.96 41.67 1ngm s TYR 94 CO 0.30 -0.45 0.17 1.21 -1.34 0.00 0.00 175.55 175.44 1ngm s ASN 95 N 2.21 3.77 0.07 4.32 3.04 -1.26 -5.04 114.94 122.06 1ngm s ASN 95 Ca 0.04 -2.15 -0.26 0.00 0.04 0.00 0.00 52.86 50.53 1ngm s ASN 95 Cb -0.15 -0.91 -0.11 0.00 -1.54 0.00 0.00 41.25 38.53 1ngm s ASN 95 CO -0.08 -0.34 1.41 -0.65 -3.04 0.00 0.00 177.10 174.40 1ngm h PRO 96 N 7.36 -0.59 -1.36 0.43 0.11 -1.90 0.12 132.00 136.16 1ngm h PRO 96 Ca -0.06 0.04 0.46 0.00 0.11 0.00 0.00 66.00 66.55 1ngm h PRO 96 Cb 0.97 0.13 -0.13 0.00 0.11 0.00 0.00 31.00 32.08 1ngm h PRO 96 CO 0.46 -0.39 0.88 -0.22 -0.21 0.00 0.00 178.00 178.52 1ngm h LYS 97 N -0.61 0.05 0.00 1.05 3.64 -2.01 -2.71 116.57 115.97 1ngm h LYS 97 Ca -0.02 -0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 1ngm h LYS 97 Cb 0.59 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.39 1ngm h LYS 97 CO -0.17 0.03 -0.60 -0.09 -2.27 0.00 0.00 179.45 176.35 1ngm h ARG 98 N 0.05 0.00 -2.98 1.90 2.43 -1.64 -3.48 114.38 110.66 1ngm h ARG 98 Ca 0.85 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 59.88 1ngm h ARG 98 Cb 2.71 0.00 -0.24 0.00 -0.42 0.00 0.00 29.97 32.02 1ngm h ARG 98 CO -0.43 0.32 -0.34 0.12 -1.51 0.00 0.00 179.97 178.13 1ngm s PHE 99 N -2.17 -0.32 -0.37 2.20 5.36 0.28 -5.08 117.98 117.88 1ngm s PHE 99 Ca -0.16 0.77 -0.04 0.00 -0.96 0.00 0.00 56.93 56.54 1ngm s PHE 99 Cb 0.02 0.11 0.02 0.00 -0.34 0.00 0.00 43.02 42.84 1ngm s PHE 99 CO 0.31 -0.20 2.84 0.00 -1.46 0.00 0.00 175.22 176.72 1ngm n ALA 100 N 2.70 6.31 -3.84 11.12 0.00 -1.26 -3.91 120.51 131.62 1ngm n ALA 100 Ca -0.14 -2.71 -0.07 0.00 0.00 0.00 0.00 53.44 50.52 1ngm n ALA 100 Cb 0.58 -2.10 -0.02 0.00 0.00 0.00 0.00 19.45 17.91 1ngm n ALA 100 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ngm s ALA 101 N -1.28 -1.24 -0.38 0.00 0.00 -1.26 -4.42 121.76 113.18 1ngm s ALA 101 Ca 0.57 -0.27 -0.08 0.00 0.00 0.00 0.00 51.96 52.18 1ngm s ALA 101 Cb 0.36 0.84 0.05 0.00 0.00 0.00 0.00 23.12 24.38 1ngm s ALA 101 CO -0.17 -1.03 0.19 0.08 0.00 0.00 0.00 175.76 174.83 1ngm s VAL 102 N -3.90 4.12 -0.47 0.00 1.01 -1.01 -4.30 120.40 115.84 1ngm s VAL 102 Ca 0.11 -1.21 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 1ngm s VAL 102 Cb -0.06 -3.41 0.03 0.00 0.00 0.00 0.00 36.38 32.94 1ngm s VAL 102 CO 0.06 -0.34 0.96 -0.63 0.00 0.00 0.00 175.10 175.16 1ngm s ILE 103 N 1.44 4.42 0.08 2.22 1.01 0.12 -2.99 121.20 127.49 1ngm s ILE 103 Ca 0.01 0.78 0.10 0.00 0.00 0.00 0.00 60.65 61.54 1ngm s ILE 103 Cb -0.21 -4.47 -0.03 0.00 0.01 0.00 0.00 42.46 37.75 1ngm s ILE 103 CO 0.03 -0.89 -0.27 -0.32 0.00 0.00 0.00 174.94 173.49 1ngm s MET 104 N 3.90 1.64 0.03 2.79 1.75 -0.78 -0.09 119.30 128.54 1ngm s MET 104 Ca 0.38 -1.20 0.01 0.00 -1.25 0.00 0.00 55.69 53.63 1ngm s MET 104 Cb -0.10 -1.94 -0.02 0.00 2.84 0.00 0.00 34.83 35.61 1ngm s MET 104 CO 0.27 0.49 -0.05 1.03 -0.65 0.00 0.00 175.02 176.11 1ngm s ARG 105 N -1.55 0.39 0.01 4.11 0.52 -1.18 -0.37 118.95 120.89 1ngm s ARG 105 Ca 0.12 -0.68 0.08 0.00 -0.52 0.00 0.00 55.73 54.73 1ngm s ARG 105 Cb -0.10 -0.02 -0.02 0.00 0.52 0.00 0.00 34.95 35.33 1ngm s ARG 105 CO 0.04 -0.02 -0.23 -1.50 0.02 0.00 0.00 175.30 173.60 1ngm s ILE 106 N -1.53 1.85 0.35 1.52 1.10 -1.26 -4.64 121.20 118.58 1ngm s ILE 106 Ca -0.13 -1.12 0.06 0.00 -0.51 0.00 0.00 60.65 58.94 1ngm s ILE 106 Cb -0.09 -1.56 0.30 0.00 0.15 0.00 0.00 42.46 41.25 1ngm s ILE 106 CO -0.01 0.41 1.92 -0.09 -2.11 0.00 0.00 174.94 175.06 1ngm h ARG 107 N 5.23 0.76 -2.55 3.50 2.43 -1.98 -3.19 114.38 118.58 1ngm h ARG 107 Ca -0.42 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 58.60 1ngm h ARG 107 Cb 1.14 -0.17 -0.26 0.00 -0.42 0.00 0.00 29.97 30.25 1ngm h ARG 107 CO 0.46 0.51 -0.30 -2.00 -1.51 0.00 0.00 179.97 177.13 1ngm s GLU 108 N -5.72 0.39 -0.07 0.20 2.12 -1.26 -2.28 118.70 112.08 1ngm s GLU 108 Ca -0.10 0.90 -0.30 0.00 0.36 0.00 0.00 54.97 55.83 1ngm s GLU 108 Cb 0.20 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.66 1ngm s GLU 108 CO 0.78 -0.19 1.29 -2.14 -0.54 0.00 0.00 175.26 174.46 1ngm s PRO 109 N 1.81 4.29 -0.48 4.30 0.02 -1.26 -4.93 135.00 138.75 1ngm s PRO 109 Ca -0.07 1.77 -0.45 0.00 0.02 0.00 0.00 61.00 62.27 1ngm s PRO 109 Cb -0.09 -3.64 -0.19 0.00 0.02 0.00 0.00 34.50 30.60 1ngm s PRO 109 CO -0.13 -0.57 1.91 1.17 -0.33 0.00 0.00 177.00 179.05 1ngm n LYS 110 N 5.72 0.10 -2.66 5.54 4.81 -0.97 -4.89 118.16 125.81 1ngm n LYS 110 Ca 0.13 0.03 -0.07 0.00 -0.87 0.00 0.00 58.31 57.53 1ngm n LYS 110 Cb 0.45 -1.57 -0.02 0.00 0.02 0.00 0.00 35.03 33.91 1ngm n LYS 110 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1ngm n THR 111 N 5.43 0.00 -3.70 3.15 -2.24 -1.20 -4.17 114.28 111.56 1ngm n THR 111 Ca 0.43 -0.81 -0.11 0.00 -2.27 0.00 0.00 64.05 61.30 1ngm n THR 111 Cb -0.03 0.48 -0.11 0.00 -2.10 0.00 0.00 70.33 68.57 1ngm n THR 111 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1ngm s THR 112 N -2.59 -0.02 -0.06 4.28 2.01 -0.46 -4.00 115.64 114.80 1ngm s THR 112 Ca 0.13 0.08 0.05 0.00 0.31 0.00 0.00 61.69 62.26 1ngm s THR 112 Cb -0.00 -0.63 -0.02 0.00 0.01 0.00 0.00 72.50 71.87 1ngm s THR 112 CO 0.09 0.03 -0.21 0.00 -0.69 0.00 0.00 174.62 173.85 1ngm s ALA 113 N 1.30 2.35 -0.32 7.40 0.00 0.50 -1.36 121.76 131.63 1ngm s ALA 113 Ca -0.09 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 50.75 1ngm s ALA 113 Cb -0.08 -0.80 -0.00 0.00 0.00 0.00 0.00 23.12 22.24 1ngm s ALA 113 CO -0.12 0.45 0.17 -0.51 0.00 0.00 0.00 175.76 175.75 1ngm s LEU 114 N -0.31 4.22 -0.32 0.00 1.02 0.21 -1.87 118.68 121.64 1ngm s LEU 114 Ca 0.01 -0.57 0.04 0.00 0.02 0.00 0.00 54.13 53.62 1ngm s LEU 114 Cb -0.13 -2.02 0.09 0.00 0.02 0.00 0.00 46.19 44.16 1ngm s LEU 114 CO 0.02 -0.22 0.01 -0.63 0.02 0.00 0.00 176.35 175.55 1ngm s ILE 115 N 1.61 2.21 0.35 -0.59 1.01 -1.16 -0.11 121.20 124.51 1ngm s ILE 115 Ca 0.04 -2.12 -0.10 0.00 0.00 0.00 0.00 60.65 58.48 1ngm s ILE 115 Cb -0.17 -2.54 -0.07 0.00 0.01 0.00 0.00 42.46 39.69 1ngm s ILE 115 CO 0.07 -0.44 0.70 -0.36 0.00 0.00 0.00 174.94 174.91 1ngm s PHE 116 N 0.98 3.45 0.32 3.97 0.40 -0.42 -2.42 117.98 124.26 1ngm s PHE 116 Ca 0.05 0.98 0.09 0.00 -0.60 0.00 0.00 56.93 57.45 1ngm s PHE 116 Cb -0.19 -2.38 0.92 0.00 0.51 0.00 0.00 43.02 41.88 1ngm s PHE 116 CO -0.08 0.02 1.65 0.00 0.70 0.00 0.00 175.22 177.52 1ngm h ALA 117 N 1.66 1.64 -3.00 5.36 0.00 -1.82 -3.22 119.26 119.88 1ngm h ALA 117 Ca -0.47 0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.65 1ngm h ALA 117 Cb 1.18 0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.22 1ngm h ALA 117 CO 0.65 -0.54 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 1ngm n SER 118 N -5.15 0.00 0.00 0.00 3.41 -1.26 -1.49 113.62 109.12 1ngm n SER 118 Ca 0.27 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1ngm n SER 118 Cb 0.86 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.81 1ngm n SER 118 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ngm n GLY 119 N 0.00 0.65 3.77 5.00 0.00 -1.21 -2.16 105.19 111.23 1ngm n GLY 119 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 1ngm n GLY 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngm s LYS 120 N 0.00 3.98 0.03 1.61 -0.14 -1.26 -1.92 119.74 122.04 1ngm s LYS 120 Ca 0.00 2.10 0.04 0.00 -1.36 0.00 0.00 55.97 56.75 1ngm s LYS 120 Cb 0.00 -2.74 -0.02 0.00 -1.68 0.00 0.00 37.83 33.39 1ngm s LYS 120 CO 0.00 -0.46 -0.13 1.41 -0.76 0.00 0.00 175.35 175.41 1ngm s MET 121 N -2.25 0.87 -0.17 1.68 -2.45 0.21 -1.30 119.30 115.89 1ngm s MET 121 Ca 0.57 -0.68 -0.00 0.00 -1.25 0.00 0.00 55.69 54.33 1ngm s MET 121 Cb -0.37 -0.85 0.00 0.00 1.25 0.00 0.00 34.83 34.86 1ngm s MET 121 CO 0.47 0.21 -0.15 0.08 1.05 0.00 0.00 175.02 176.69 1ngm s VAL 122 N -0.77 2.62 -0.19 10.11 1.01 0.84 0.01 120.40 134.02 1ngm s VAL 122 Ca 0.01 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 1ngm s VAL 122 Cb -0.07 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 1ngm s VAL 122 CO 0.01 0.50 -0.07 -0.69 0.00 0.00 0.00 175.10 174.86 1ngm s VAL 123 N 1.08 3.34 0.24 2.92 1.01 0.70 0.68 120.40 130.37 1ngm s VAL 123 Ca -0.00 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.50 1ngm s VAL 123 Cb -0.14 -2.48 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1ngm s VAL 123 CO -0.04 0.46 -0.03 0.42 0.00 0.00 0.00 175.10 175.90 1ngm s THR 124 N 1.07 1.27 0.00 3.92 -4.23 -0.47 -0.61 115.64 116.60 1ngm s THR 124 Ca 0.01 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.45 1ngm s THR 124 Cb -0.15 -2.35 0.00 0.00 1.34 0.00 0.00 72.50 71.35 1ngm s THR 124 CO -0.01 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.34 1ngm n GLY 125 N -0.46 0.78 3.77 3.99 0.00 -1.21 -1.36 105.19 110.69 1ngm n GLY 125 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 1ngm n GLY 125 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ALA 126 N -2.90 2.52 -0.12 4.61 0.00 -1.24 -4.58 121.76 120.04 1ngm s ALA 126 Ca 0.00 0.71 0.19 0.00 0.00 0.00 0.00 51.96 52.86 1ngm s ALA 126 Cb 0.00 -3.36 -0.21 0.00 0.00 0.00 0.00 23.12 19.55 1ngm s ALA 126 CO 0.00 -1.15 0.56 1.63 0.00 0.00 0.00 175.76 176.80 1ngm n LYS 127 N -2.00 0.65 -3.77 0.00 5.02 -1.26 -1.30 118.16 115.50 1ngm n LYS 127 Ca 0.11 0.03 -0.13 0.00 -2.02 0.00 0.00 58.31 56.30 1ngm n LYS 127 Cb 0.51 -1.65 -0.08 0.00 -0.02 0.00 0.00 35.03 33.79 1ngm n LYS 127 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 1ngm s SER 128 N -5.28 -0.16 0.21 4.39 0.15 -1.26 -4.58 113.70 107.17 1ngm s SER 128 Ca -0.06 0.00 -0.12 0.00 0.70 0.00 0.00 55.95 56.47 1ngm s SER 128 Cb 0.10 0.31 0.25 0.00 -1.71 0.00 0.00 66.02 64.97 1ngm s SER 128 CO 0.84 -0.48 1.65 -0.33 1.20 0.00 0.00 173.24 176.13 1ngm h GLU 129 N 3.74 0.07 -0.58 5.44 3.07 -1.99 0.31 114.58 124.65 1ngm h GLU 129 Ca -0.30 -0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.46 1ngm h GLU 129 Cb 1.18 -0.02 -0.02 0.00 -0.84 0.00 0.00 28.75 29.06 1ngm h GLU 129 CO 0.41 0.05 0.01 0.38 -1.40 0.00 0.00 179.01 178.46 1ngm h ASP 130 N 0.07 1.01 0.00 1.42 2.03 -1.98 -1.03 116.42 117.93 1ngm h ASP 130 Ca 0.30 -0.30 0.03 0.00 -0.73 0.00 0.00 57.03 56.33 1ngm h ASP 130 Cb 0.48 -0.27 -0.05 0.00 -0.83 0.00 0.00 39.33 38.65 1ngm h ASP 130 CO -0.54 1.06 -0.38 0.44 -1.03 0.00 0.00 179.24 178.79 1ngm h ASP 131 N 0.92 -1.14 -0.92 4.15 5.19 -1.29 0.14 116.42 123.46 1ngm h ASP 131 Ca 0.17 0.14 0.08 0.00 -0.62 0.00 0.00 57.03 56.80 1ngm h ASP 131 Cb 0.54 0.45 -0.11 0.00 0.18 0.00 0.00 39.33 40.39 1ngm h ASP 131 CO 0.03 -0.43 -0.56 -1.28 -3.12 0.00 0.00 179.24 173.88 1ngm h SER 132 N -0.54 -2.04 0.39 6.45 0.87 0.01 0.29 113.55 118.97 1ngm h SER 132 Ca 0.05 0.31 -0.02 0.00 -1.23 0.00 0.00 61.79 60.91 1ngm h SER 132 Cb 0.62 0.90 -0.00 0.00 -0.44 0.00 0.00 62.40 63.48 1ngm h SER 132 CO -0.30 -0.22 -0.25 0.50 -0.53 0.00 0.00 176.83 176.03 1ngm h LYS 133 N -0.02 -0.58 -0.93 2.24 3.64 -0.46 0.14 116.57 120.60 1ngm h LYS 133 Ca 0.15 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.81 1ngm h LYS 133 Cb 0.40 0.13 -0.17 0.00 -0.41 0.00 0.00 32.23 32.18 1ngm h LYS 133 CO -0.88 -0.38 0.02 1.25 -2.27 0.00 0.00 179.45 177.19 1ngm h LEU 134 N -0.60 -0.45 0.19 5.20 6.46 -0.58 0.29 115.31 125.83 1ngm h LEU 134 Ca -0.05 0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.96 1ngm h LEU 134 Cb 0.48 0.45 0.00 0.00 -0.73 0.00 0.00 40.66 40.86 1ngm h LEU 134 CO 0.05 -0.30 -0.10 0.00 -0.62 0.00 0.00 178.44 177.47 1ngm h ALA 135 N 1.91 -0.27 -1.00 1.25 0.00 0.01 -1.43 119.26 119.73 1ngm h ALA 135 Ca 0.55 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.58 1ngm h ALA 135 Cb 1.08 0.12 -0.10 0.00 0.00 0.00 0.00 17.79 18.89 1ngm h ALA 135 CO -0.86 -0.65 0.62 0.77 0.00 0.00 0.00 179.25 179.13 1ngm h SER 136 N -0.27 0.80 -0.37 0.00 0.02 0.23 -0.97 113.55 112.98 1ngm h SER 136 Ca -0.02 0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 60.91 1ngm h SER 136 Cb 0.22 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 1ngm h SER 136 CO 0.04 0.31 -0.13 0.03 -1.14 0.00 0.00 176.83 175.94 1ngm h ARG 137 N 0.80 0.82 -0.47 3.45 3.08 0.11 -1.42 114.38 120.75 1ngm h ARG 137 Ca 0.56 -0.29 -0.13 0.00 0.07 0.00 0.00 59.98 60.19 1ngm h ARG 137 Cb 0.84 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.81 1ngm h ARG 137 CO -0.36 0.91 -0.23 0.87 -1.07 0.00 0.00 179.97 180.09 1ngm h LYS 138 N 0.74 0.98 0.09 0.04 1.57 -0.28 0.36 116.57 120.07 1ngm h LYS 138 Ca 0.12 -0.43 0.01 0.00 -1.87 0.00 0.00 60.65 58.49 1ngm h LYS 138 Cb 0.63 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1ngm h LYS 138 CO 0.04 1.10 -0.17 1.88 -0.57 0.00 0.00 179.45 181.73 1ngm h TYR 139 N 0.84 -0.45 -0.26 -1.35 0.05 -0.82 0.19 116.97 115.18 1ngm h TYR 139 Ca 0.11 0.01 0.06 0.00 0.05 0.00 0.00 58.73 58.95 1ngm h TYR 139 Cb 0.81 0.19 -0.06 0.00 1.01 0.00 0.00 36.73 38.68 1ngm h TYR 139 CO 0.05 -0.25 -0.11 0.00 -1.05 0.00 0.00 178.16 176.80 1ngm h ALA 140 N 0.52 0.12 -0.92 3.88 0.00 -1.07 -0.93 119.26 120.86 1ngm h ALA 140 Ca 0.03 0.10 0.10 0.00 0.00 0.00 0.00 54.91 55.14 1ngm h ALA 140 Cb 0.35 0.27 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 1ngm h ALA 140 CO -0.10 -0.51 0.59 -0.09 0.00 0.00 0.00 179.25 179.14 1ngm h ARG 141 N -0.06 0.88 0.25 0.00 9.65 0.10 -1.59 114.38 123.61 1ngm h ARG 141 Ca 0.13 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.95 1ngm h ARG 141 Cb 0.27 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.65 1ngm h ARG 141 CO -0.30 0.58 -0.12 0.82 2.80 0.00 0.00 179.97 183.75 1ngm h ILE 142 N 0.91 0.77 -0.08 1.20 1.08 0.76 -1.90 117.51 120.24 1ngm h ILE 142 Ca 0.43 -0.08 0.02 0.00 -0.39 0.00 0.00 64.86 64.84 1ngm h ILE 142 Cb 0.44 0.82 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1ngm h ILE 142 CO -0.20 0.02 0.06 0.40 -0.69 0.00 0.00 178.15 177.74 1ngm h ILE 143 N -0.38 0.97 0.62 -0.67 2.04 -0.95 -1.26 117.51 117.89 1ngm h ILE 143 Ca -0.03 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.79 1ngm h ILE 143 Cb 0.29 0.94 0.00 0.00 -0.74 0.00 0.00 36.82 37.31 1ngm h ILE 143 CO 0.06 0.01 -0.33 1.56 0.00 0.00 0.00 178.15 179.44 1ngm h GLN 144 N 0.03 -0.84 -1.39 2.37 4.20 -0.76 -2.63 115.11 116.08 1ngm h GLN 144 Ca 0.04 0.06 0.42 0.00 0.06 0.00 0.00 58.65 59.23 1ngm h GLN 144 Cb 0.12 0.19 -0.10 0.00 0.30 0.00 0.00 27.48 27.99 1ngm h GLN 144 CO -0.00 -0.56 0.95 0.87 -0.67 0.00 0.00 178.83 179.41 1ngm h LYS 145 N -0.88 0.09 0.00 1.46 1.79 -0.58 0.79 116.57 119.24 1ngm h LYS 145 Ca -0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1ngm h LYS 145 Cb 0.68 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 1ngm h LYS 145 CO 0.12 0.06 0.00 0.82 -1.08 0.00 0.00 179.45 179.37 1ngm h ILE 146 N 0.09 0.00 0.00 1.86 2.04 -0.88 -3.47 117.51 117.15 1ngm h ILE 146 Ca 0.76 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 66.25 1ngm h ILE 146 Cb 2.61 1.25 0.00 0.00 -0.74 0.00 0.00 36.82 39.94 1ngm h ILE 146 CO -0.23 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.53 1ngm n GLY 147 N -0.01 3.30 3.63 5.37 0.00 0.27 -5.06 105.19 112.69 1ngm n GLY 147 Ca 0.01 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 1ngm n GLY 147 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1ngm n PHE 148 N 0.00 1.52 -0.33 1.61 3.01 -1.16 -4.83 117.46 117.29 1ngm n PHE 148 Ca 0.00 0.59 0.28 0.00 1.01 0.00 0.00 57.45 59.33 1ngm n PHE 148 Cb 0.00 -2.29 0.60 0.00 -0.01 0.00 0.00 39.48 37.78 1ngm n PHE 148 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1ngm h ALA 149 N 1.94 2.56 0.00 4.37 0.00 -1.90 -3.37 119.26 122.85 1ngm h ALA 149 Ca -0.44 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1ngm h ALA 149 Cb 1.32 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ngm h ALA 149 CO 0.59 -0.95 0.00 0.00 0.00 0.00 0.00 179.25 178.89 1ngm n ALA 150 N -2.57 -0.55 -2.37 0.00 0.00 -1.26 -4.96 120.51 108.80 1ngm n ALA 150 Ca 0.26 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.51 1ngm n ALA 150 Cb 1.03 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.38 1ngm n ALA 150 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1ngm s LYS 151 N 0.00 1.39 -0.75 0.00 1.02 0.27 -4.80 119.74 116.86 1ngm s LYS 151 Ca 0.00 -1.64 -0.08 0.00 0.02 0.00 0.00 55.97 54.27 1ngm s LYS 151 Cb 0.00 -1.16 0.20 0.00 -0.52 0.00 0.00 37.83 36.35 1ngm s LYS 151 CO 0.00 0.16 0.64 0.12 -0.92 0.00 0.00 175.35 175.35 1ngm s PHE 152 N -2.96 3.62 0.08 3.18 2.19 -1.26 -3.69 117.98 119.15 1ngm s PHE 152 Ca 0.24 -2.38 0.05 0.00 0.33 0.00 0.00 56.93 55.17 1ngm s PHE 152 Cb -0.00 -3.52 -0.03 0.00 -1.31 0.00 0.00 43.02 38.15 1ngm s PHE 152 CO 0.08 -0.91 -0.13 0.95 1.83 0.00 0.00 175.22 177.04 1ngm s THR 153 N -0.06 1.07 -0.05 0.12 -4.23 -1.15 -4.81 115.64 106.52 1ngm s THR 153 Ca 0.18 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.27 1ngm s THR 153 Cb -0.14 -1.17 0.00 0.00 1.34 0.00 0.00 72.50 72.52 1ngm s THR 153 CO -0.07 -0.34 0.00 0.47 -0.54 0.00 0.00 174.62 174.14 1ngm n ASP 154 N 1.01 -3.15 -4.70 3.99 9.92 -1.26 -0.98 116.55 121.38 1ngm n ASP 154 Ca -0.19 0.01 -0.54 0.00 -0.53 0.00 0.00 54.79 53.54 1ngm n ASP 154 Cb 0.55 -0.70 -0.06 0.00 -0.64 0.00 0.00 41.12 40.28 1ngm n ASP 154 CO 0.00 0.00 0.00 0.33 0.13 0.00 0.00 177.20 177.66 1ngm n PHE 155 N -2.95 2.17 -3.74 1.24 7.35 -1.26 -4.67 117.46 115.60 1ngm n PHE 155 Ca -0.00 0.32 -0.15 0.00 -0.76 0.00 0.00 57.45 56.85 1ngm n PHE 155 Cb 0.03 -2.54 -0.16 0.00 0.35 0.00 0.00 39.48 37.16 1ngm n PHE 155 CO 0.00 0.00 0.00 0.21 -0.76 0.00 0.00 176.76 176.21 1ngm s LYS 156 N 3.80 0.01 -0.26 -4.13 2.20 -1.03 -5.00 119.74 115.33 1ngm s LYS 156 Ca 0.96 0.32 -0.29 0.00 -0.36 0.00 0.00 55.97 56.60 1ngm s LYS 156 Cb -0.92 -0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 35.13 1ngm s LYS 156 CO 0.60 -0.20 1.42 0.42 -0.36 0.00 0.00 175.35 177.23 1ngm s ILE 157 N 1.35 3.97 -0.22 5.43 1.01 -1.26 -1.42 121.20 130.07 1ngm s ILE 157 Ca -0.06 1.10 0.22 0.00 0.00 0.00 0.00 60.65 61.91 1ngm s ILE 157 Cb -0.12 -3.98 -0.02 0.00 0.01 0.00 0.00 42.46 38.35 1ngm s ILE 157 CO -0.04 -0.39 1.01 1.56 0.00 0.00 0.00 174.94 177.08 1ngm h GLN 158 N 9.78 0.00 -1.20 2.79 1.08 -0.68 -3.45 115.11 123.43 1ngm h GLN 158 Ca -0.29 0.00 0.16 0.00 -1.45 0.00 0.00 58.65 57.07 1ngm h GLN 158 Cb 1.12 0.00 -0.31 0.00 -0.05 0.00 0.00 27.48 28.24 1ngm h GLN 158 CO 1.02 0.05 0.77 1.21 -0.95 0.00 0.00 178.83 180.92 1ngm s ASN 159 N -5.44 -0.15 -0.08 1.46 2.47 -0.69 -4.74 114.94 107.77 1ngm s ASN 159 Ca -0.01 0.29 0.03 0.00 0.42 0.00 0.00 52.86 53.59 1ngm s ASN 159 Cb 0.09 0.36 0.01 0.00 -1.45 0.00 0.00 41.25 40.26 1ngm s ASN 159 CO 0.79 -0.05 -0.17 -0.63 -3.72 0.00 0.00 177.10 173.32 1ngm s ILE 160 N 0.17 1.52 -0.09 -5.21 1.01 0.20 0.18 121.20 118.98 1ngm s ILE 160 Ca 0.05 -0.71 -0.00 0.00 0.00 0.00 0.00 60.65 59.99 1ngm s ILE 160 Cb -0.05 -1.34 -0.03 0.00 0.01 0.00 0.00 42.46 41.05 1ngm s ILE 160 CO -0.13 0.44 -0.06 -0.69 0.00 0.00 0.00 174.94 174.50 1ngm s VAL 161 N 0.46 3.73 0.17 2.92 1.01 0.35 -3.58 120.40 125.47 1ngm s VAL 161 Ca -0.15 -0.46 0.02 0.00 0.00 0.00 0.00 61.98 61.39 1ngm s VAL 161 Cb -0.16 -2.55 -0.05 0.00 0.00 0.00 0.00 36.38 33.62 1ngm s VAL 161 CO 0.06 0.58 -0.01 -0.83 0.00 0.00 0.00 175.10 174.89 1ngm s GLY 162 N -0.53 1.20 0.01 4.51 0.00 0.19 -0.08 107.32 112.62 1ngm s GLY 162 Ca 0.08 -1.58 -0.09 0.00 0.00 0.00 0.00 44.72 43.13 1ngm s GLY 162 CO 0.02 -1.53 0.18 -1.35 0.00 0.00 0.00 173.10 170.42 1ngm s SER 163 N -3.17 0.01 0.28 1.64 1.04 -0.72 0.36 113.70 113.14 1ngm s SER 163 Ca 0.23 -0.24 -0.04 0.00 0.48 0.00 0.00 55.95 56.38 1ngm s SER 163 Cb 0.06 0.25 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 1ngm s SER 163 CO 0.03 -0.45 0.38 0.00 0.98 0.00 0.00 173.24 174.18 1ngm s ASP 165 N -3.18 1.79 0.02 0.00 2.15 -1.26 0.64 116.67 116.83 1ngm s ASP 165 Ca 0.31 -0.18 0.27 0.00 0.43 0.00 0.00 52.55 53.39 1ngm s ASP 165 Cb 0.01 -0.62 1.15 0.00 -0.30 0.00 0.00 42.92 43.17 1ngm s ASP 165 CO 0.16 -0.15 1.88 1.33 -0.17 0.00 0.00 175.17 178.22 1ngm n VAL 166 N 4.95 0.15 -2.63 1.11 0.24 -0.64 -4.93 118.33 116.57 1ngm n VAL 166 Ca -0.11 -0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 62.04 1ngm n VAL 166 Cb 0.50 -0.56 0.02 0.00 -1.47 0.00 0.00 33.84 32.33 1ngm n VAL 166 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ngm n LYS 167 N -1.58 -2.75 -3.72 7.34 5.02 -1.26 -5.01 118.16 116.20 1ngm n LYS 167 Ca 0.07 0.65 -0.14 0.00 -2.02 0.00 0.00 58.31 56.87 1ngm n LYS 167 Cb 0.33 -4.93 -0.09 0.00 -0.02 0.00 0.00 35.03 30.32 1ngm n LYS 167 CO 0.00 0.00 0.00 -0.59 -0.52 0.00 0.00 177.40 176.29 1ngm s PHE 168 N -2.90 -0.32 0.55 2.13 -0.12 -1.26 -5.10 117.98 110.95 1ngm s PHE 168 Ca 0.15 0.62 -0.20 0.00 -0.05 0.00 0.00 56.93 57.46 1ngm s PHE 168 Cb -0.07 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.40 1ngm s PHE 168 CO 0.18 -0.36 0.78 -2.30 -0.05 0.00 0.00 175.22 173.47 1ngm n PRO 169 N 1.73 0.80 -4.50 1.99 -0.02 -1.26 -3.93 135.00 129.81 1ngm n PRO 169 Ca -0.19 0.31 -0.25 0.00 -2.02 0.00 0.00 63.50 61.35 1ngm n PRO 169 Cb 0.56 -1.92 -0.17 0.00 -0.02 0.00 0.00 33.50 31.96 1ngm n PRO 169 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ngm s ILE 170 N -1.55 1.11 -1.31 4.25 1.01 -0.54 -2.27 121.20 121.91 1ngm s ILE 170 Ca 0.70 -0.45 -0.18 0.00 0.00 0.00 0.00 60.65 60.72 1ngm s ILE 170 Cb -0.46 -1.03 0.06 0.00 0.01 0.00 0.00 42.46 41.03 1ngm s ILE 170 CO 0.52 0.35 1.80 0.54 0.00 0.00 0.00 174.94 178.16 1ngm n ARG 171 N 3.94 3.07 -0.30 2.79 1.74 -1.26 -4.51 116.66 122.13 1ngm n ARG 171 Ca -0.22 -3.16 0.11 0.00 -0.77 0.00 0.00 57.85 53.81 1ngm n ARG 171 Cb 0.51 -3.49 0.28 0.00 -1.02 0.00 0.00 32.46 28.75 1ngm n ARG 171 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1ngm h LEU 172 N 12.62 0.41 -1.17 0.55 3.38 -1.95 0.34 115.31 129.49 1ngm h LEU 172 Ca 0.45 0.13 -0.06 0.00 0.09 0.00 0.00 57.88 58.49 1ngm h LEU 172 Cb 0.85 0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.67 1ngm h LEU 172 CO 1.49 0.08 -0.06 1.05 0.09 0.00 0.00 178.44 181.09 1ngm h GLU 173 N 0.48 0.50 -0.04 1.13 9.09 -1.99 -1.18 114.58 122.58 1ngm h GLU 173 Ca 0.53 -0.12 -0.01 0.00 0.05 0.00 0.00 59.36 59.80 1ngm h GLU 173 Cb 0.92 -0.06 -0.00 0.00 -1.65 0.00 0.00 28.75 27.96 1ngm h GLU 173 CO -0.47 0.58 -0.02 0.78 0.05 0.00 0.00 179.01 179.92 1ngm h GLY 174 N 0.87 0.09 1.45 1.06 0.00 -1.36 -3.05 103.07 102.13 1ngm h GLY 174 Ca 0.10 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.33 1ngm h GLY 174 CO 0.02 0.07 0.28 -2.00 0.00 0.00 0.00 176.54 174.91 1ngm h LEU 175 N -0.35 0.64 -1.83 3.11 6.46 -1.35 -2.84 115.31 119.16 1ngm h LEU 175 Ca 0.01 -0.05 0.11 0.00 -0.12 0.00 0.00 57.88 57.83 1ngm h LEU 175 Cb 0.49 -0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1ngm h LEU 175 CO 0.01 0.53 0.35 0.00 -0.62 0.00 0.00 178.44 178.71 1ngm h ALA 176 N 1.58 2.22 0.02 1.25 0.00 -1.10 -3.18 119.26 120.05 1ngm h ALA 176 Ca 0.19 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 1ngm h ALA 176 Cb 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ngm h ALA 176 CO -0.03 -0.35 -0.01 0.35 0.00 0.00 0.00 179.25 179.21 1ngm h PHE 177 N 0.19 -0.02 0.00 0.00 3.57 -1.50 -2.88 116.94 116.30 1ngm h PHE 177 Ca 0.24 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.74 1ngm h PHE 177 Cb 0.69 0.01 0.00 0.00 2.79 0.00 0.00 35.95 39.44 1ngm h PHE 177 CO -0.00 -0.01 0.00 -1.13 -2.23 0.00 0.00 178.31 174.94 1ngm n SER 178 N -2.87 1.87 -0.33 0.41 3.41 -1.21 -2.02 113.62 112.89 1ngm n SER 178 Ca -0.00 -1.67 0.00 0.00 -0.26 0.00 0.00 58.87 56.94 1ngm n SER 178 Cb 0.01 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.54 1ngm n SER 178 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1ngm n HIS 179 N 0.40 0.00 0.28 7.33 8.25 -1.20 -4.97 115.22 125.31 1ngm n HIS 179 Ca 0.00 0.00 0.12 0.00 -0.26 0.00 0.00 57.72 57.58 1ngm n HIS 179 Cb 0.34 0.21 0.80 0.00 1.12 0.00 0.00 29.99 32.47 1ngm n HIS 179 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ngm h GLY 180 N 0.00 0.00 -0.08 -1.41 0.00 -1.17 0.28 103.07 100.69 1ngm h GLY 180 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 47.33 47.60 1ngm h GLY 180 CO 0.00 0.00 0.68 -0.84 0.00 0.00 0.00 176.54 176.38 1ngm h THR 181 N 0.00 0.53 0.00 4.70 2.02 -1.87 -3.00 112.91 115.29 1ngm h THR 181 Ca -0.00 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1ngm h THR 181 Cb 0.05 0.20 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 1ngm h THR 181 CO 0.00 0.06 -1.09 0.49 0.37 0.00 0.00 175.52 175.35 1ngm n PHE 182 N -4.51 0.00 -3.07 3.16 3.01 0.08 -5.00 117.46 111.13 1ngm n PHE 182 Ca 0.24 0.00 -0.40 0.00 1.01 0.00 0.00 57.45 58.30 1ngm n PHE 182 Cb 0.91 -0.08 -0.05 0.00 -0.01 0.00 0.00 39.48 40.25 1ngm n PHE 182 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1ngm s SER 183 N -2.36 7.03 -0.16 4.37 0.01 0.77 -1.32 113.70 122.04 1ngm s SER 183 Ca -0.01 1.23 0.01 0.00 1.31 0.00 0.00 55.95 58.48 1ngm s SER 183 Cb 0.03 -2.41 0.02 0.00 0.21 0.00 0.00 66.02 63.87 1ngm s SER 183 CO 0.17 -0.05 -0.15 -0.44 0.41 0.00 0.00 173.24 173.18 1ngm s SER 184 N 0.43 2.83 -0.26 2.44 0.01 -0.79 -4.73 113.70 113.62 1ngm s SER 184 Ca 0.36 -0.54 -0.02 0.00 1.31 0.00 0.00 55.95 57.05 1ngm s SER 184 Cb -0.18 -1.26 0.11 0.00 0.21 0.00 0.00 66.02 64.90 1ngm s SER 184 CO 0.19 -0.05 0.23 -0.47 0.41 0.00 0.00 173.24 173.55 1ngm s TYR 185 N 1.43 -0.19 -0.59 2.43 5.04 -1.26 -1.56 117.35 122.65 1ngm s TYR 185 Ca 0.05 -0.25 0.04 0.00 -2.44 0.00 0.00 57.07 54.47 1ngm s TYR 185 Cb -0.13 -0.55 0.16 0.00 0.35 0.00 0.00 41.96 41.79 1ngm s TYR 185 CO -0.11 -0.80 0.40 -2.00 -1.34 0.00 0.00 175.55 171.70 1ngm s GLU 186 N 2.28 1.93 0.55 4.97 2.12 -1.26 -5.00 118.70 124.30 1ngm s GLU 186 Ca 0.08 -2.83 0.26 0.00 0.36 0.00 0.00 54.97 52.85 1ngm s GLU 186 Cb -0.15 -2.86 1.47 0.00 0.26 0.00 0.00 34.13 32.85 1ngm s GLU 186 CO -0.27 -1.27 2.01 -1.00 -0.54 0.00 0.00 175.26 174.19 1ngm h PRO 187 N 5.76 0.00 0.00 4.30 0.13 -1.90 0.13 132.00 140.43 1ngm h PRO 187 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1ngm h PRO 187 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 1ngm h PRO 187 CO 0.61 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.77 1ngm n GLU 188 N -4.13 0.12 -0.03 0.86 -0.58 -1.26 -3.77 120.64 111.85 1ngm n GLU 188 Ca 0.07 0.09 -0.04 0.00 -0.42 0.00 0.00 57.16 56.86 1ngm n GLU 188 Cb 0.52 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.85 1ngm n GLU 188 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 1ngm n LEU 189 N -1.42 0.70 -3.66 -4.62 7.94 0.36 -4.99 117.00 111.31 1ngm n LEU 189 Ca 0.08 -0.01 -0.08 0.00 -1.11 0.00 0.00 56.01 54.89 1ngm n LEU 189 Cb 0.24 0.05 -0.09 0.00 0.53 0.00 0.00 43.42 44.15 1ngm n LEU 189 CO 0.20 0.27 0.08 0.12 -1.11 0.00 0.00 177.39 176.95 1ngm s PHE 190 N -2.15 -0.86 -1.82 1.96 5.36 -0.55 -5.03 117.98 114.88 1ngm s PHE 190 Ca -0.05 1.64 0.09 0.00 -0.96 0.00 0.00 56.93 57.65 1ngm s PHE 190 Cb 0.02 0.39 0.49 0.00 -0.34 0.00 0.00 43.02 43.59 1ngm s PHE 190 CO 0.24 -0.49 1.03 -0.35 -1.46 0.00 0.00 175.22 174.19 1ngm n PRO 191 N 5.15 0.23 -4.18 10.12 -0.04 -1.25 -4.01 135.00 141.00 1ngm n PRO 191 Ca -0.12 0.07 -0.28 0.00 -0.04 0.00 0.00 63.50 63.12 1ngm n PRO 191 Cb 0.51 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.39 1ngm n PRO 191 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1ngm s GLY 192 N -2.18 1.79 -0.19 0.55 0.00 -1.26 -4.55 107.32 101.47 1ngm s GLY 192 Ca 0.12 -1.28 -0.16 0.00 0.00 0.00 0.00 44.72 43.40 1ngm s GLY 192 CO 0.11 -1.28 0.39 -2.27 0.00 0.00 0.00 173.10 170.05 1ngm s LEU 193 N -2.68 4.17 -0.38 0.66 2.96 0.57 -4.65 118.68 119.34 1ngm s LEU 193 Ca 0.26 0.53 -0.22 0.00 -0.22 0.00 0.00 54.13 54.48 1ngm s LEU 193 Cb -0.10 -2.51 0.01 0.00 0.50 0.00 0.00 46.19 44.09 1ngm s LEU 193 CO 0.18 -0.06 0.71 -0.63 -1.32 0.00 0.00 176.35 175.23 1ngm s ILE 194 N 1.19 4.80 -0.26 6.68 1.01 -0.60 0.63 121.20 134.65 1ngm s ILE 194 Ca 0.19 0.62 -0.09 0.00 0.00 0.00 0.00 60.65 61.38 1ngm s ILE 194 Cb -0.15 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 1ngm s ILE 194 CO 0.08 -0.43 0.12 -0.47 0.00 0.00 0.00 174.94 174.23 1ngm s TYR 195 N 2.92 3.14 -0.97 3.97 5.04 0.38 -1.89 117.35 129.94 1ngm s TYR 195 Ca 0.27 -0.21 -0.04 0.00 -2.44 0.00 0.00 57.07 54.66 1ngm s TYR 195 Cb -0.14 -2.29 0.25 0.00 0.35 0.00 0.00 41.96 40.13 1ngm s TYR 195 CO 0.17 -0.28 0.97 0.54 -1.34 0.00 0.00 175.55 175.61 1ngm n ARG 196 N 4.97 3.14 -1.80 4.97 1.74 -0.44 -0.87 116.66 128.37 1ngm n ARG 196 Ca -0.15 -4.50 -0.38 0.00 -0.77 0.00 0.00 57.85 52.06 1ngm n ARG 196 Cb 0.52 -2.46 0.05 0.00 -1.02 0.00 0.00 32.46 29.55 1ngm n ARG 196 CO 0.00 0.00 0.00 1.41 -1.52 0.00 0.00 177.63 177.52 1ngm s MET 197 N -1.61 2.90 -0.14 5.56 -2.45 -0.99 -4.78 119.30 117.79 1ngm s MET 197 Ca 0.30 2.11 0.13 0.00 -1.25 0.00 0.00 55.69 56.99 1ngm s MET 197 Cb -0.05 -2.06 -0.19 0.00 1.25 0.00 0.00 34.83 33.78 1ngm s MET 197 CO -0.08 -1.34 0.07 1.33 1.05 0.00 0.00 175.02 176.05 1ngm n VAL 198 N -1.43 0.96 -3.38 10.11 0.24 -1.26 -3.12 118.33 120.44 1ngm n VAL 198 Ca 0.13 -0.61 -0.13 0.00 -2.04 0.00 0.00 64.34 61.69 1ngm n VAL 198 Cb 0.47 -0.56 -0.09 0.00 -1.47 0.00 0.00 33.84 32.18 1ngm n VAL 198 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1ngm s LYS 199 N -2.40 0.32 0.99 7.34 2.20 -1.26 -2.97 119.74 123.96 1ngm s LYS 199 Ca -0.07 0.22 -0.11 0.00 -0.36 0.00 0.00 55.97 55.65 1ngm s LYS 199 Cb 0.05 -0.64 0.19 0.00 -1.51 0.00 0.00 37.83 35.91 1ngm s LYS 199 CO 0.61 -0.81 1.09 -1.25 -0.36 0.00 0.00 175.35 174.62 1ngm s PRO 200 N 2.45 0.45 -0.85 4.03 0.04 -1.26 -4.97 135.00 134.89 1ngm s PRO 200 Ca 0.10 1.11 -0.24 0.00 0.04 0.00 0.00 61.00 62.00 1ngm s PRO 200 Cb -0.15 -1.69 0.05 0.00 0.04 0.00 0.00 34.50 32.75 1ngm s PRO 200 CO -0.22 -2.88 1.30 0.21 0.04 0.00 0.00 177.00 175.45 1ngm s LYS 201 N -4.67 3.36 0.01 4.56 2.47 -1.16 -4.78 119.74 119.54 1ngm s LYS 201 Ca 0.66 -0.75 0.00 0.00 -1.56 0.00 0.00 55.97 54.32 1ngm s LYS 201 Cb -0.22 -4.69 -0.01 0.00 -1.46 0.00 0.00 37.83 31.45 1ngm s LYS 201 CO 0.60 -2.11 -0.02 0.42 0.16 0.00 0.00 175.35 174.40 1ngm s ILE 202 N 5.05 0.08 -0.28 5.43 -1.09 -1.18 -4.64 121.20 124.57 1ngm s ILE 202 Ca 0.38 -0.33 -0.09 0.00 -2.23 0.00 0.00 60.65 58.38 1ngm s ILE 202 Cb -0.06 -0.13 -0.02 0.00 -1.58 0.00 0.00 42.46 40.67 1ngm s ILE 202 CO 0.03 -0.16 0.12 -0.69 -1.23 0.00 0.00 174.94 173.01 1ngm s VAL 203 N -0.51 4.55 -0.01 2.92 1.01 0.77 -2.35 120.40 126.79 1ngm s VAL 203 Ca -0.05 -0.21 0.05 0.00 0.00 0.00 0.00 61.98 61.76 1ngm s VAL 203 Cb -0.04 -3.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.11 1ngm s VAL 203 CO -0.00 0.23 -0.14 -0.76 0.00 0.00 0.00 175.10 174.43 1ngm s LEU 204 N 1.63 2.78 -0.34 3.92 1.02 -0.05 -0.98 118.68 126.66 1ngm s LEU 204 Ca 0.06 -0.26 -0.07 0.00 0.02 0.00 0.00 54.13 53.88 1ngm s LEU 204 Cb -0.16 -1.60 0.04 0.00 0.02 0.00 0.00 46.19 44.49 1ngm s LEU 204 CO 0.06 0.30 0.11 -0.76 0.02 0.00 0.00 176.35 176.08 1ngm s LEU 205 N -1.11 4.30 -0.19 1.79 1.43 0.60 0.14 118.68 125.64 1ngm s LEU 205 Ca 0.14 -1.10 -0.13 0.00 -1.03 0.00 0.00 54.13 52.01 1ngm s LEU 205 Cb -0.11 -1.88 -0.05 0.00 0.03 0.00 0.00 46.19 44.19 1ngm s LEU 205 CO 0.04 -0.32 0.27 -0.63 0.23 0.00 0.00 176.35 175.94 1ngm s ILE 206 N 1.42 5.30 -0.00 -0.59 -1.09 0.20 -2.29 121.20 124.16 1ngm s ILE 206 Ca -0.01 0.47 0.05 0.00 -2.23 0.00 0.00 60.65 58.93 1ngm s ILE 206 Cb -0.19 -3.61 -0.03 0.00 -1.58 0.00 0.00 42.46 37.05 1ngm s ILE 206 CO 0.03 0.35 -0.13 -0.36 -1.23 0.00 0.00 174.94 173.60 1ngm s PHE 207 N 0.78 2.71 0.35 3.97 0.08 -1.16 -0.31 117.98 124.40 1ngm s PHE 207 Ca 0.14 -0.16 0.16 0.00 0.12 0.00 0.00 56.93 57.20 1ngm s PHE 207 Cb -0.13 -1.56 1.16 0.00 -0.57 0.00 0.00 43.02 41.92 1ngm s PHE 207 CO 0.04 0.27 1.62 0.28 -0.10 0.00 0.00 175.22 177.33 1ngm h VAL 208 N 4.01 0.15 0.00 -0.44 2.07 -1.80 -1.42 116.25 118.82 1ngm h VAL 208 Ca -0.47 -0.05 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1ngm h VAL 208 Cb 1.16 -0.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1ngm h VAL 208 CO 0.50 0.03 -0.28 0.77 0.02 0.00 0.00 177.57 178.61 1ngm h SER 209 N 0.16 0.00 0.00 0.57 4.64 -1.88 -1.44 113.55 115.59 1ngm h SER 209 Ca 0.77 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.09 1ngm h SER 209 Cb 1.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.96 1ngm h SER 209 CO -0.70 0.28 0.00 0.61 -0.87 0.00 0.00 176.83 176.15 1ngm n GLY 210 N -0.45 1.45 3.71 -0.77 0.00 -0.54 -4.05 105.19 104.55 1ngm n GLY 210 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.59 1ngm n GLY 210 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ngm s LYS 211 N 0.00 4.48 0.05 1.61 -0.14 -1.26 -1.62 119.74 122.86 1ngm s LYS 211 Ca 0.00 1.68 0.06 0.00 -1.36 0.00 0.00 55.97 56.35 1ngm s LYS 211 Cb 0.00 -3.37 -0.03 0.00 -1.68 0.00 0.00 37.83 32.75 1ngm s LYS 211 CO 0.00 -0.17 -0.13 0.42 -0.76 0.00 0.00 175.35 174.71 1ngm s ILE 212 N 0.92 3.16 -0.07 2.17 -1.09 0.21 -2.99 121.20 123.50 1ngm s ILE 212 Ca 0.56 -1.12 0.05 0.00 -2.23 0.00 0.00 60.65 57.91 1ngm s ILE 212 Cb -0.27 -2.39 -0.00 0.00 -1.58 0.00 0.00 42.46 38.22 1ngm s ILE 212 CO 0.29 0.28 -0.22 -0.69 -1.23 0.00 0.00 174.94 173.38 1ngm s VAL 213 N -1.03 1.88 0.00 2.92 1.01 -0.97 -1.31 120.40 122.90 1ngm s VAL 213 Ca 0.17 -0.94 0.08 0.00 0.00 0.00 0.00 61.98 61.29 1ngm s VAL 213 Cb -0.11 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.63 1ngm s VAL 213 CO 0.08 0.52 -0.24 -0.76 0.00 0.00 0.00 175.10 174.70 1ngm s LEU 214 N 0.16 2.19 0.12 3.92 1.02 0.16 -0.29 118.68 125.95 1ngm s LEU 214 Ca -0.11 -0.48 -0.17 0.00 0.02 0.00 0.00 54.13 53.39 1ngm s LEU 214 Cb -0.15 -1.36 0.04 0.00 0.02 0.00 0.00 46.19 44.74 1ngm s LEU 214 CO 0.06 0.30 0.43 0.28 0.02 0.00 0.00 176.35 177.44 1ngm s THR 215 N -0.70 0.06 0.00 5.49 -1.32 -0.16 -0.64 115.64 118.37 1ngm s THR 215 Ca 0.11 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 60.11 1ngm s THR 215 Cb -0.10 -1.12 0.00 0.00 -1.51 0.00 0.00 72.50 69.77 1ngm s THR 215 CO 0.01 -0.26 0.00 0.61 -2.21 0.00 0.00 174.62 172.76 1ngm n GLY 216 N -0.15 1.21 3.77 6.08 0.00 -1.24 -0.17 105.19 114.69 1ngm n GLY 216 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1ngm n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ngm s ALA 217 N -2.08 3.52 -2.44 4.61 0.00 -1.23 -4.76 121.76 119.37 1ngm s ALA 217 Ca 0.00 1.40 0.24 0.00 0.00 0.00 0.00 51.96 53.59 1ngm s ALA 217 Cb 0.00 -3.54 0.17 0.00 0.00 0.00 0.00 23.12 19.75 1ngm s ALA 217 CO 0.00 -0.83 1.22 1.63 0.00 0.00 0.00 175.76 177.78 1ngm n LYS 218 N 0.61 1.67 -3.63 0.00 5.02 -1.26 0.63 118.16 121.20 1ngm n LYS 218 Ca 0.01 -1.35 -0.04 0.00 -2.02 0.00 0.00 58.31 54.91 1ngm n LYS 218 Cb 0.41 -1.47 -0.06 0.00 -0.02 0.00 0.00 35.03 33.88 1ngm n LYS 218 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 1ngm s GLN 219 N -2.26 0.55 0.02 1.97 -2.07 -1.26 -4.81 119.66 111.79 1ngm s GLN 219 Ca 0.24 1.00 -0.00 0.00 -1.82 0.00 0.00 55.36 54.77 1ngm s GLN 219 Cb 0.19 0.19 0.03 0.00 -1.09 0.00 0.00 33.01 32.34 1ngm s GLN 219 CO 0.45 -0.12 0.10 -2.13 -1.32 0.00 0.00 175.29 172.27 1ngm n ARG 220 N 4.21 -0.01 -0.33 9.60 0.63 -1.26 -1.09 116.66 128.41 1ngm n ARG 220 Ca -0.18 0.10 0.12 0.00 -0.92 0.00 0.00 57.85 56.97 1ngm n ARG 220 Cb 0.57 -0.15 0.33 0.00 0.45 0.00 0.00 32.46 33.65 1ngm n ARG 220 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 1ngm h GLU 221 N 0.00 0.76 -0.78 -0.14 3.07 -1.99 0.03 114.58 115.53 1ngm h GLU 221 Ca 0.03 -0.05 -0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1ngm h GLU 221 Cb 0.05 -0.17 -0.04 0.00 -0.84 0.00 0.00 28.75 27.76 1ngm h GLU 221 CO -0.07 0.51 0.38 0.93 -1.40 0.00 0.00 179.01 179.36 1ngm h GLU 222 N 0.79 1.10 -0.11 2.33 5.08 -1.54 0.11 114.58 122.34 1ngm h GLU 222 Ca 0.53 -0.15 -0.00 0.00 -1.00 0.00 0.00 59.36 58.74 1ngm h GLU 222 Cb 0.79 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1ngm h GLU 222 CO -0.30 0.84 0.07 0.82 -1.00 0.00 0.00 179.01 179.44 1ngm h ILE 223 N 1.10 1.07 0.37 3.13 1.08 -1.12 0.64 117.51 123.78 1ngm h ILE 223 Ca 0.27 -0.18 -0.02 0.00 -0.39 0.00 0.00 64.86 64.54 1ngm h ILE 223 Cb 0.09 0.98 0.00 0.00 -3.07 0.00 0.00 36.82 34.82 1ngm h ILE 223 CO -0.04 0.06 -0.20 1.88 -0.69 0.00 0.00 178.15 179.17 1ngm h TYR 224 N 0.11 -0.51 -0.63 1.37 0.05 -1.00 -2.49 116.97 113.87 1ngm h TYR 224 Ca 0.04 -0.01 0.08 0.00 0.05 0.00 0.00 58.73 58.89 1ngm h TYR 224 Cb 0.04 0.17 -0.11 0.00 1.01 0.00 0.00 36.73 37.85 1ngm h TYR 224 CO -0.05 -0.31 -0.49 1.96 -1.05 0.00 0.00 178.16 178.21 1ngm h GLN 225 N -0.53 -0.21 -0.65 4.88 4.20 -0.69 -1.58 115.11 120.53 1ngm h GLN 225 Ca -0.05 0.01 0.07 0.00 0.06 0.00 0.00 58.65 58.75 1ngm h GLN 225 Cb 0.42 0.05 -0.06 0.00 0.30 0.00 0.00 27.48 28.19 1ngm h GLN 225 CO 0.07 -0.14 0.33 0.00 -0.67 0.00 0.00 178.83 178.42 1ngm h ALA 226 N 0.46 0.86 0.11 3.87 0.00 -0.75 -0.77 119.26 123.05 1ngm h ALA 226 Ca 0.16 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1ngm h ALA 226 Cb 0.55 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1ngm h ALA 226 CO -0.73 -0.02 -0.05 0.35 0.00 0.00 0.00 179.25 178.80 1ngm h PHE 227 N 0.61 -0.14 -1.02 0.00 3.57 -1.00 0.13 116.94 119.09 1ngm h PHE 227 Ca 0.30 -0.00 0.26 0.00 3.53 0.00 0.00 57.97 62.06 1ngm h PHE 227 Cb 0.24 0.05 -0.12 0.00 2.79 0.00 0.00 35.95 38.91 1ngm h PHE 227 CO -0.10 0.19 0.62 0.93 -2.23 0.00 0.00 178.31 177.72 1ngm h GLU 228 N -0.49 0.48 0.02 1.11 4.39 -1.15 0.57 114.58 119.51 1ngm h GLU 228 Ca -0.02 -0.03 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 1ngm h GLU 228 Cb 0.40 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.94 1ngm h GLU 228 CO 0.03 0.32 -0.01 0.00 -1.16 0.00 0.00 179.01 178.19 1ngm h ALA 229 N 1.71 -0.02 0.00 3.43 0.00 -0.76 -3.33 119.26 120.28 1ngm h ALA 229 Ca 0.65 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1ngm h ALA 229 Cb 1.38 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.17 1ngm h ALA 229 CO -0.44 -0.27 -0.12 0.97 0.00 0.00 0.00 179.25 179.38 1ngm h ILE 230 N -0.51 0.30 0.11 0.00 6.09 0.89 -3.37 117.51 121.01 1ngm h ILE 230 Ca -0.00 -0.90 -0.01 0.00 -1.37 0.00 0.00 64.86 62.58 1ngm h ILE 230 Cb 0.49 1.70 0.00 0.00 0.47 0.00 0.00 36.82 39.49 1ngm h ILE 230 CO 0.00 0.12 -0.05 0.22 -3.07 0.00 0.00 178.15 175.37 1ngm h TYR 231 N 0.00 -0.14 -1.59 2.19 3.20 -1.07 -1.19 116.97 118.36 1ngm h TYR 231 Ca -0.00 -0.00 0.47 0.00 3.14 0.00 0.00 58.73 62.33 1ngm h TYR 231 Cb 0.69 0.05 -0.08 0.00 1.54 0.00 0.00 36.73 38.93 1ngm h TYR 231 CO 0.00 0.05 1.13 -1.35 -1.64 0.00 0.00 178.16 176.34 1ngm h PRO 232 N -0.31 0.03 0.08 1.82 0.11 -1.78 0.29 132.00 132.23 1ngm h PRO 232 Ca -0.02 -0.00 -0.18 0.00 0.11 0.00 0.00 66.00 65.91 1ngm h PRO 232 Cb 0.25 -0.01 0.02 0.00 0.11 0.00 0.00 31.00 31.37 1ngm h PRO 232 CO 0.03 0.02 -0.75 0.28 -0.21 0.00 0.00 178.00 177.36 1ngm h VAL 233 N 0.03 1.46 0.00 3.15 2.07 -1.48 -1.08 116.25 120.40 1ngm h VAL 233 Ca 0.79 -2.34 -0.01 0.00 0.82 0.00 0.00 66.70 65.97 1ngm h VAL 233 Cb 3.03 2.92 -0.00 0.00 -1.52 0.00 0.00 31.29 35.72 1ngm h VAL 233 CO -0.09 0.67 -0.04 -0.07 0.02 0.00 0.00 177.57 178.06 1ngm h LEU 234 N -0.22 0.00 -0.14 2.57 3.38 0.19 -1.68 115.31 119.41 1ngm h LEU 234 Ca -0.12 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.64 1ngm h LEU 234 Cb 1.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 42.25 1ngm h LEU 234 CO 0.14 0.04 -0.97 0.28 0.09 0.00 0.00 178.44 178.03 1ngm h SER 235 N 0.00 0.16 -0.57 -0.43 0.02 -0.82 -3.31 113.55 108.60 1ngm h SER 235 Ca -0.00 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 60.75 1ngm h SER 235 Cb 0.08 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.54 1ngm h SER 235 CO 0.01 1.03 0.19 -0.08 -1.14 0.00 0.00 176.83 176.84 1ngm h GLU 236 N 0.05 0.88 0.00 3.45 4.81 -0.26 -3.41 114.58 120.11 1ngm h GLU 236 Ca -0.04 -0.18 -0.07 0.00 -0.13 0.00 0.00 59.36 58.94 1ngm h GLU 236 Cb 1.66 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 30.92 1ngm h GLU 236 CO 0.14 0.79 0.01 1.19 -0.73 0.00 0.00 179.01 180.41 1ngm n PHE 237 N -4.44 -3.21 0.00 0.92 3.01 -0.98 -5.08 117.46 107.68 1ngm n PHE 237 Ca 0.03 -0.26 0.00 0.00 1.01 0.00 0.00 57.45 58.23 1ngm n PHE 237 Cb 0.20 -0.10 0.00 0.00 -0.01 0.00 0.00 39.48 39.57 1ngm n PHE 237 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 1ngm n ARG 238 N -1.24 0.00 -2.29 -1.08 0.63 -1.26 -4.83 116.66 106.60 1ngm n ARG 238 Ca 0.02 0.00 -0.32 0.00 -0.92 0.00 0.00 57.85 56.63 1ngm n ARG 238 Cb 0.08 0.00 -0.02 0.00 0.45 0.00 0.00 32.46 32.97 1ngm n ARG 238 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 1ngm s LYS 239 N -4.91 3.73 0.00 -0.14 1.02 -0.96 -4.71 119.74 113.77 1ngm s LYS 239 Ca 0.00 1.06 0.03 0.00 0.02 0.00 0.00 55.97 57.08 1ngm s LYS 239 Cb 0.00 -2.10 0.02 0.00 -0.52 0.00 0.00 37.83 35.23 1ngm s LYS 239 CO 0.00 -0.46 0.59 -1.33 -0.92 0.00 0.00 175.35 173.23