#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2p3i s LEU 65 N 0.00 3.28 -0.39 6.55 2.96 -1.26 -4.39 118.68 125.43 2p3i s LEU 65 Ca 0.00 -0.76 -0.16 0.00 -0.22 0.00 0.00 54.13 52.99 2p3i s LEU 65 Cb 0.00 -2.56 0.01 0.00 0.50 0.00 0.00 46.19 44.14 2p3i s LEU 65 CO 0.00 -2.28 0.40 -0.62 -1.32 0.00 0.00 176.35 172.53 2p3i s ASP 66 N 6.86 6.18 0.00 3.68 2.15 -1.08 -4.95 116.67 129.51 2p3i s ASP 66 Ca 0.60 -0.54 0.00 0.00 0.43 0.00 0.00 52.55 53.04 2p3i s ASP 66 Cb -0.06 -2.21 0.00 0.00 -0.30 0.00 0.00 42.92 40.36 2p3i s ASP 66 CO 0.00 -0.48 0.00 0.61 -0.17 0.00 0.00 175.17 175.13 2p3i n GLY 67 N 5.06 0.07 3.80 2.66 0.00 -1.26 -0.39 105.19 115.13 2p3i n GLY 67 Ca -0.08 -1.63 -0.36 0.00 0.00 0.00 0.00 46.02 43.96 2p3i n GLY 67 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p3i s PRO 68 N -2.00 4.43 0.04 1.61 0.04 -1.26 -5.05 135.00 132.81 2p3i s PRO 68 Ca 0.00 1.20 0.02 0.00 0.04 0.00 0.00 61.00 62.26 2p3i s PRO 68 Cb 0.00 -2.61 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2p3i s PRO 68 CO 0.00 0.19 0.05 0.71 0.04 0.00 0.00 177.00 177.99 2p3i s TYR 69 N -1.79 3.16 0.52 0.56 1.51 0.78 -4.91 117.35 117.18 2p3i s TYR 69 Ca 0.53 0.10 -0.10 0.00 -1.01 0.00 0.00 57.07 56.59 2p3i s TYR 69 Cb -0.15 -1.65 -0.05 0.00 -0.11 0.00 0.00 41.96 40.00 2p3i s TYR 69 CO 0.20 0.51 0.90 -0.65 -1.11 0.00 0.00 175.55 175.40 2p3i s GLN 70 N -2.02 3.67 0.17 -0.62 -0.21 -1.26 -1.35 119.66 118.03 2p3i s GLN 70 Ca 0.25 0.55 -0.33 0.00 0.02 0.00 0.00 55.36 55.85 2p3i s GLN 70 Cb -0.12 -2.24 -0.16 0.00 1.00 0.00 0.00 33.01 31.49 2p3i s GLN 70 CO 0.17 -0.31 1.21 -2.30 -2.12 0.00 0.00 175.29 171.94 2p3i n PRO 71 N -2.15 1.25 -3.71 2.91 -0.02 -1.25 -4.85 135.00 127.17 2p3i n PRO 71 Ca 0.04 0.45 -0.03 0.00 -2.02 0.00 0.00 63.50 61.94 2p3i n PRO 71 Cb 0.54 -1.98 -0.01 0.00 -0.02 0.00 0.00 33.50 32.03 2p3i n PRO 71 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 2p3i s THR 72 N -0.07 0.00 -0.17 3.45 -1.32 -1.18 -4.98 115.64 111.36 2p3i s THR 72 Ca 0.74 -0.54 -0.04 0.00 -1.21 0.00 0.00 61.69 60.64 2p3i s THR 72 Cb -0.85 -1.93 -0.03 0.00 -1.51 0.00 0.00 72.50 68.19 2p3i s THR 72 CO 0.51 0.00 -0.02 -0.89 -2.21 0.00 0.00 174.62 172.01 2p3i s THR 73 N -3.11 3.99 0.38 5.08 2.01 -1.26 -1.12 115.64 121.60 2p3i s THR 73 Ca 0.12 -0.32 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 2p3i s THR 73 Cb -0.00 -2.77 0.04 0.00 0.01 0.00 0.00 72.50 69.77 2p3i s THR 73 CO 0.00 0.47 0.67 0.72 -0.69 0.00 0.00 174.62 175.79 2p3i s PHE 74 N 0.59 0.52 -0.56 4.92 -0.12 -0.54 -4.98 117.98 117.82 2p3i s PHE 74 Ca -0.01 -1.03 -0.03 0.00 -0.05 0.00 0.00 56.93 55.80 2p3i s PHE 74 Cb -0.14 0.48 0.15 0.00 -0.63 0.00 0.00 43.02 42.87 2p3i s PHE 74 CO 0.02 -1.42 0.38 1.21 -0.05 0.00 0.00 175.22 175.36 2p3i s ASN 75 N -3.15 5.30 0.50 1.98 2.47 -1.26 -0.55 114.94 120.23 2p3i s ASN 75 Ca 0.22 -2.58 -0.22 0.00 0.42 0.00 0.00 52.86 50.71 2p3i s ASN 75 Cb -0.03 -1.86 -0.06 0.00 -1.45 0.00 0.00 41.25 37.84 2p3i s ASN 75 CO 0.15 -0.44 1.18 -2.16 -3.72 0.00 0.00 177.10 172.12 2p3i s PRO 76 N 0.35 3.51 0.64 0.43 0.04 -1.26 -4.98 135.00 133.73 2p3i s PRO 76 Ca 0.14 1.79 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2p3i s PRO 76 Cb -0.21 -2.24 -0.01 0.00 0.04 0.00 0.00 34.50 32.08 2p3i s PRO 76 CO -0.04 -0.76 1.20 -1.25 0.04 0.00 0.00 177.00 176.19 2p3i s PRO 77 N -2.93 2.73 0.69 0.56 0.04 -1.26 -4.96 135.00 129.87 2p3i s PRO 77 Ca 0.68 1.76 -0.16 0.00 0.04 0.00 0.00 61.00 63.31 2p3i s PRO 77 Cb -0.29 -1.91 0.01 0.00 0.04 0.00 0.00 34.50 32.36 2p3i s PRO 77 CO 0.34 -1.38 1.23 0.14 0.04 0.00 0.00 177.00 177.37 2p3i s VAL 78 N -1.79 2.30 -1.26 -0.36 -7.23 -1.26 -3.62 120.40 107.17 2p3i s VAL 78 Ca 0.75 0.16 -0.01 0.00 -1.81 0.00 0.00 61.98 61.08 2p3i s VAL 78 Cb -0.29 -2.87 0.00 0.00 0.56 0.00 0.00 36.38 33.78 2p3i s VAL 78 CO 0.37 -0.06 0.13 0.47 -0.31 0.00 0.00 175.10 175.71 2p3i n ASP 79 N -2.32 -4.71 -4.08 4.85 8.00 0.56 -5.00 116.55 113.86 2p3i n ASP 79 Ca 0.14 -0.07 -0.23 0.00 0.71 0.00 0.00 54.79 55.33 2p3i n ASP 79 Cb 0.50 -3.76 -0.16 0.00 -0.02 0.00 0.00 41.12 37.68 2p3i n ASP 79 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2p3i s TYR 80 N -2.84 1.36 0.03 1.24 1.51 -1.24 -1.26 117.35 116.15 2p3i s TYR 80 Ca 0.07 -0.36 -0.27 0.00 -1.01 0.00 0.00 57.07 55.50 2p3i s TYR 80 Cb -0.03 -0.93 -0.05 0.00 -0.11 0.00 0.00 41.96 40.85 2p3i s TYR 80 CO 0.08 -0.12 0.84 -1.58 -1.11 0.00 0.00 175.55 173.66 2p3i s TRP 81 N 0.06 3.71 -0.42 2.71 0.52 0.20 -4.32 118.94 121.40 2p3i s TRP 81 Ca -0.02 1.55 -0.15 0.00 0.02 0.00 0.00 56.10 57.49 2p3i s TRP 81 Cb -0.10 -2.93 0.03 0.00 -1.15 0.00 0.00 33.47 29.32 2p3i s TRP 81 CO 0.01 0.16 0.33 1.41 0.02 0.00 0.00 176.95 178.89 2p3i s MET 82 N 0.34 2.99 -0.32 4.98 -2.45 0.25 -1.27 119.30 123.82 2p3i s MET 82 Ca 0.43 -1.02 -0.18 0.00 -1.25 0.00 0.00 55.69 53.66 2p3i s MET 82 Cb -0.21 -4.00 -0.01 0.00 1.25 0.00 0.00 34.83 31.87 2p3i s MET 82 CO 0.25 -0.80 0.53 -1.17 1.05 0.00 0.00 175.02 174.88 2p3i s LEU 83 N 1.75 4.23 -0.13 4.11 2.96 0.27 -1.90 118.68 129.98 2p3i s LEU 83 Ca 0.06 0.19 -0.07 0.00 -0.22 0.00 0.00 54.13 54.09 2p3i s LEU 83 Cb -0.19 -2.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.81 2p3i s LEU 83 CO 0.10 -0.43 0.11 -0.76 -1.32 0.00 0.00 176.35 174.04 2p3i s LEU 84 N 2.42 4.16 -0.59 -0.68 1.43 0.13 -0.73 118.68 124.82 2p3i s LEU 84 Ca 0.20 0.34 0.06 0.00 -1.03 0.00 0.00 54.13 53.71 2p3i s LEU 84 Cb -0.15 -2.02 0.26 0.00 0.03 0.00 0.00 46.19 44.31 2p3i s LEU 84 CO 0.12 0.35 0.74 0.00 0.23 0.00 0.00 176.35 177.79 2p3i n ALA 85 N 2.38 3.89 -1.69 4.21 0.00 -0.66 -2.35 120.51 126.29 2p3i n ALA 85 Ca -0.19 -4.56 -0.35 0.00 0.00 0.00 0.00 53.44 48.34 2p3i n ALA 85 Cb 0.54 -0.87 0.03 0.00 0.00 0.00 0.00 19.45 19.15 2p3i n ALA 85 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2p3i s PRO 86 N -2.42 3.02 -0.09 0.00 0.04 -1.26 -4.38 135.00 129.91 2p3i s PRO 86 Ca 0.40 1.67 0.12 0.00 0.04 0.00 0.00 61.00 63.23 2p3i s PRO 86 Cb 0.17 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.59 2p3i s PRO 86 CO -0.04 -1.13 0.13 0.25 0.04 0.00 0.00 177.00 176.25 2p3i n THR 87 N -1.70 0.55 -4.38 1.26 -2.24 -1.26 -4.95 114.28 101.55 2p3i n THR 87 Ca 0.12 -0.45 -0.25 0.00 -2.27 0.00 0.00 64.05 61.21 2p3i n THR 87 Cb 0.51 -0.37 -0.12 0.00 -2.10 0.00 0.00 70.33 68.25 2p3i n THR 87 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2p3i s ALA 88 N -2.52 2.30 0.56 6.98 0.00 -1.26 -5.12 121.76 122.70 2p3i s ALA 88 Ca -0.06 -1.57 -0.20 0.00 0.00 0.00 0.00 51.96 50.13 2p3i s ALA 88 Cb 0.05 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.85 2p3i s ALA 88 CO 0.52 0.35 1.09 0.00 0.00 0.00 0.00 175.76 177.73 2p3i n ALA 89 N 0.31 0.60 0.00 0.00 0.00 -1.26 -4.88 120.51 115.28 2p3i n ALA 89 Ca -0.13 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2p3i n ALA 89 Cb 0.56 -2.18 0.00 0.00 0.00 0.00 0.00 19.45 17.83 2p3i n ALA 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2p3i n GLY 90 N 1.11 0.83 3.74 0.00 0.00 -0.62 -4.96 105.19 105.28 2p3i n GLY 90 Ca 0.12 -2.01 -0.41 0.00 0.00 0.00 0.00 46.02 43.72 2p3i n GLY 90 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2p3i s VAL 91 N -1.88 3.50 -0.20 1.61 1.01 -1.26 -0.36 120.40 122.81 2p3i s VAL 91 Ca 0.00 1.26 -0.05 0.00 0.00 0.00 0.00 61.98 63.19 2p3i s VAL 91 Cb 0.00 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.47 2p3i s VAL 91 CO 0.00 0.20 -0.22 0.52 0.00 0.00 0.00 175.10 175.60 2p3i n VAL 92 N 2.50 1.14 -3.53 2.92 0.31 0.47 -4.73 118.33 117.41 2p3i n VAL 92 Ca 0.05 -0.36 -0.18 0.00 -0.01 0.00 0.00 64.34 63.84 2p3i n VAL 92 Cb 0.44 -1.49 -0.06 0.00 -0.91 0.00 0.00 33.84 31.82 2p3i n VAL 92 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2p3i s VAL 93 N -2.39 0.00 0.00 2.52 0.11 -1.23 -1.08 120.40 118.34 2p3i s VAL 93 Ca -0.28 -0.01 -0.08 0.00 -2.93 0.00 0.00 61.98 58.68 2p3i s VAL 93 Cb 0.09 -0.99 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2p3i s VAL 93 CO 0.41 -0.01 0.14 -1.83 -3.33 0.00 0.00 175.10 170.49 2p3i s GLU 94 N -1.10 0.50 -0.07 1.54 -1.05 -0.72 -0.77 118.70 117.03 2p3i s GLU 94 Ca -0.10 -0.41 -0.27 0.00 -0.15 0.00 0.00 54.97 54.04 2p3i s GLU 94 Cb -0.00 0.21 0.06 0.00 -0.44 0.00 0.00 34.13 33.95 2p3i s GLU 94 CO 0.09 -0.12 0.61 0.20 0.95 0.00 0.00 175.26 176.99 2p3i s GLY 95 N -1.42 -0.49 0.02 -3.83 0.00 0.40 -0.46 107.32 101.54 2p3i s GLY 95 Ca -0.14 1.21 -0.13 0.00 0.00 0.00 0.00 44.72 45.66 2p3i s GLY 95 CO 0.01 0.89 0.27 -1.08 0.00 0.00 0.00 173.10 173.19 2p3i s THR 96 N -1.00 0.08 -2.85 0.90 -1.32 -1.24 -1.00 115.64 109.21 2p3i s THR 96 Ca -0.10 -0.67 0.25 0.00 -1.21 0.00 0.00 61.69 59.96 2p3i s THR 96 Cb -0.02 -0.80 0.29 0.00 -1.51 0.00 0.00 72.50 70.47 2p3i s THR 96 CO 0.08 -0.37 1.39 -0.46 -2.21 0.00 0.00 174.62 173.04 2p3i n ASN 97 N 0.88 2.62 -0.08 8.08 0.23 -0.88 -4.08 115.26 122.04 2p3i n ASN 97 Ca -0.20 -1.87 -0.01 0.00 -0.53 0.00 0.00 54.58 51.97 2p3i n ASN 97 Cb 0.58 -0.01 -0.00 0.00 -2.08 0.00 0.00 39.78 38.27 2p3i n ASN 97 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 2p3i n ASN 98 N 1.05 -4.85 0.04 0.53 3.02 -1.26 -4.77 115.26 109.02 2p3i n ASN 98 Ca 0.15 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.73 2p3i n ASN 98 Cb 0.54 -2.45 0.00 0.00 -0.61 0.00 0.00 39.78 37.26 2p3i n ASN 98 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2p3i n THR 99 N -2.40 0.29 -0.77 3.41 -2.24 -1.26 -4.94 114.28 106.37 2p3i n THR 99 Ca -0.01 0.09 0.02 0.00 -2.27 0.00 0.00 64.05 61.88 2p3i n THR 99 Cb 0.32 -0.78 0.02 0.00 -2.10 0.00 0.00 70.33 67.80 2p3i n THR 99 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 2p3i n ASP 100 N -2.92 1.14 -3.66 3.42 5.68 -1.26 -4.46 116.55 114.48 2p3i n ASP 100 Ca 0.00 -1.85 -0.08 0.00 -0.50 0.00 0.00 54.79 52.36 2p3i n ASP 100 Cb 0.00 -0.10 -0.09 0.00 -1.14 0.00 0.00 41.12 39.79 2p3i n ASP 100 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2p3i s ARG 101 N -0.84 0.35 -0.07 0.11 6.06 -1.26 -4.43 118.95 118.87 2p3i s ARG 101 Ca 0.05 1.07 0.05 0.00 -2.50 0.00 0.00 55.73 54.40 2p3i s ARG 101 Cb 0.04 0.38 -0.00 0.00 0.06 0.00 0.00 34.95 35.43 2p3i s ARG 101 CO 0.00 -0.24 -0.23 -1.58 -2.50 0.00 0.00 175.30 170.76 2p3i s TRP 102 N 2.61 2.28 -0.04 5.12 0.51 -0.49 -2.06 118.94 126.86 2p3i s TRP 102 Ca -0.02 -0.77 0.00 0.00 -2.12 0.00 0.00 56.10 53.19 2p3i s TRP 102 Cb -0.12 -1.52 0.03 0.00 -0.81 0.00 0.00 33.47 31.05 2p3i s TRP 102 CO -0.13 -0.27 -0.01 -1.17 -0.51 0.00 0.00 176.95 174.85 2p3i s LEU 103 N 0.08 1.09 0.02 2.99 0.20 -0.17 -2.03 118.68 120.86 2p3i s LEU 103 Ca -0.09 -0.06 0.05 0.00 0.69 0.00 0.00 54.13 54.72 2p3i s LEU 103 Cb -0.15 -0.31 -0.02 0.00 -0.43 0.00 0.00 46.19 45.28 2p3i s LEU 103 CO 0.05 -0.11 -0.14 0.00 -0.29 0.00 0.00 176.35 175.86 2p3i s ALA 104 N 1.17 1.20 -0.16 5.97 0.00 -0.25 -0.46 121.76 129.23 2p3i s ALA 104 Ca -0.08 -0.77 -0.04 0.00 0.00 0.00 0.00 51.96 51.08 2p3i s ALA 104 Cb -0.14 -0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 2p3i s ALA 104 CO -0.02 0.25 -0.04 0.99 0.00 0.00 0.00 175.76 176.94 2p3i s THR 105 N -0.69 3.79 -0.08 0.00 2.01 0.05 -0.13 115.64 120.60 2p3i s THR 105 Ca 0.03 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 61.65 2p3i s THR 105 Cb -0.07 -2.67 -0.03 0.00 0.01 0.00 0.00 72.50 69.74 2p3i s THR 105 CO 0.01 0.48 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.71 2p3i s ILE 106 N 0.51 3.55 -0.25 1.82 1.01 0.03 -0.39 121.20 127.49 2p3i s ILE 106 Ca -0.03 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.00 2p3i s ILE 106 Cb -0.14 -2.46 -0.04 0.00 0.01 0.00 0.00 42.46 39.83 2p3i s ILE 106 CO 0.03 0.58 0.12 -0.22 0.00 0.00 0.00 174.94 175.45 2p3i s LEU 107 N -0.55 3.80 -0.09 2.97 2.96 0.51 -0.96 118.68 127.31 2p3i s LEU 107 Ca 0.08 -0.04 -0.01 0.00 -0.22 0.00 0.00 54.13 53.94 2p3i s LEU 107 Cb -0.12 -2.02 -0.03 0.00 0.50 0.00 0.00 46.19 44.52 2p3i s LEU 107 CO 0.02 0.01 -0.04 -0.69 -1.32 0.00 0.00 176.35 174.32 2p3i s VAL 108 N 1.37 3.89 0.88 1.68 1.01 0.31 -1.59 120.40 127.95 2p3i s VAL 108 Ca 0.06 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 61.54 2p3i s VAL 108 Cb -0.15 -2.63 0.12 0.00 0.00 0.00 0.00 36.38 33.73 2p3i s VAL 108 CO 0.06 0.58 1.14 -1.61 0.00 0.00 0.00 175.10 175.26 2p3i s GLU 109 N -0.55 1.32 0.52 2.72 8.01 -1.26 -1.74 118.70 127.72 2p3i s GLU 109 Ca 0.09 1.47 -0.22 0.00 0.01 0.00 0.00 54.97 56.31 2p3i s GLU 109 Cb -0.12 -1.77 -0.07 0.00 -4.31 0.00 0.00 34.13 27.87 2p3i s GLU 109 CO 0.02 -2.39 1.19 -2.30 0.01 0.00 0.00 175.26 171.79 2p3i n PRO 110 N -4.05 1.49 -2.75 0.39 -0.02 -1.25 -4.43 135.00 124.38 2p3i n PRO 110 Ca 0.11 0.55 -0.02 0.00 -2.02 0.00 0.00 63.50 62.12 2p3i n PRO 110 Cb 0.52 -2.35 0.01 0.00 -0.02 0.00 0.00 33.50 31.66 2p3i n PRO 110 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2p3i n ASN 111 N -0.47 -6.42 -3.95 2.55 5.15 0.78 -4.98 115.26 107.93 2p3i n ASN 111 Ca 0.10 -0.14 -0.29 0.00 -0.60 0.00 0.00 54.58 53.65 2p3i n ASN 111 Cb 0.43 -4.37 -0.16 0.00 -0.53 0.00 0.00 39.78 35.15 2p3i n ASN 111 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2p3i s VAL 112 N -3.05 1.41 0.43 3.44 1.01 -0.34 -4.95 120.40 118.34 2p3i s VAL 112 Ca 0.06 -0.85 -0.24 0.00 0.00 0.00 0.00 61.98 60.96 2p3i s VAL 112 Cb -0.01 -1.53 -0.08 0.00 0.00 0.00 0.00 36.38 34.76 2p3i s VAL 112 CO 0.59 0.14 1.11 -0.89 0.00 0.00 0.00 175.10 176.05 2p3i s THR 113 N 1.50 3.42 -0.36 3.92 2.01 -1.26 -0.35 115.64 124.52 2p3i s THR 113 Ca -0.01 1.08 -0.33 0.00 0.31 0.00 0.00 61.69 62.74 2p3i s THR 113 Cb -0.16 -3.56 -0.14 0.00 0.01 0.00 0.00 72.50 68.65 2p3i s THR 113 CO -0.08 -0.00 1.25 -0.24 -0.69 0.00 0.00 174.62 174.86 2p3i n SER 114 N -0.25 0.79 -3.68 3.53 2.88 -1.26 -4.80 113.62 110.83 2p3i n SER 114 Ca 0.06 0.77 -0.13 0.00 -1.33 0.00 0.00 58.87 58.25 2p3i n SER 114 Cb 0.49 -0.64 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 2p3i n SER 114 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 2p3i s GLU 115 N 2.67 0.90 -0.14 -1.46 -1.05 -0.57 -4.98 118.70 114.07 2p3i s GLU 115 Ca 0.78 -0.38 -0.17 0.00 -0.15 0.00 0.00 54.97 55.05 2p3i s GLU 115 Cb -1.08 0.40 -0.04 0.00 -0.44 0.00 0.00 34.13 32.97 2p3i s GLU 115 CO 0.56 -0.31 0.44 0.99 0.95 0.00 0.00 175.26 177.90 2p3i s THR 116 N -2.47 5.20 0.23 1.83 2.01 -1.26 -1.15 115.64 120.03 2p3i s THR 116 Ca -0.05 0.86 0.10 0.00 0.31 0.00 0.00 61.69 62.90 2p3i s THR 116 Cb -0.01 -3.78 -0.05 0.00 0.01 0.00 0.00 72.50 68.67 2p3i s THR 116 CO -0.02 0.31 -0.18 -0.13 -0.69 0.00 0.00 174.62 173.91 2p3i s ARG 117 N 0.79 1.49 -0.17 4.92 0.52 -0.18 -4.95 118.95 121.36 2p3i s ARG 117 Ca 0.23 -1.64 -0.08 0.00 -0.52 0.00 0.00 55.73 53.73 2p3i s ARG 117 Cb -0.15 -1.48 -0.04 0.00 0.52 0.00 0.00 34.95 33.80 2p3i s ARG 117 CO 0.09 0.27 0.08 -1.12 0.02 0.00 0.00 175.30 174.65 2p3i s SER 118 N -3.26 5.84 0.04 0.23 0.01 -1.26 -1.15 113.70 114.14 2p3i s SER 118 Ca 0.25 0.17 0.05 0.00 1.31 0.00 0.00 55.95 57.72 2p3i s SER 118 Cb -0.04 -1.97 -0.02 0.00 0.21 0.00 0.00 66.02 64.20 2p3i s SER 118 CO 0.11 0.22 -0.13 -0.31 0.41 0.00 0.00 173.24 173.53 2p3i s TYR 119 N 0.10 1.17 -0.40 2.43 1.51 0.01 -4.96 117.35 117.21 2p3i s TYR 119 Ca 0.06 -0.37 -0.21 0.00 -1.01 0.00 0.00 57.07 55.54 2p3i s TYR 119 Cb -0.12 -0.69 0.02 0.00 -0.11 0.00 0.00 41.96 41.05 2p3i s TYR 119 CO 0.00 0.03 0.67 0.99 -1.11 0.00 0.00 175.55 176.14 2p3i s THR 120 N -0.91 4.81 -0.12 -0.71 2.01 -1.26 -0.01 115.64 119.44 2p3i s THR 120 Ca 0.00 0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.43 2p3i s THR 120 Cb -0.08 -4.18 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2p3i s THR 120 CO 0.01 -0.50 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.46 2p3i s LEU 121 N 2.88 2.07 -1.54 4.42 1.43 0.06 -4.69 118.68 123.31 2p3i s LEU 121 Ca 0.25 -0.58 -0.10 0.00 -1.03 0.00 0.00 54.13 52.68 2p3i s LEU 121 Cb -0.14 -1.40 0.08 0.00 0.03 0.00 0.00 46.19 44.76 2p3i s LEU 121 CO 0.18 0.10 0.71 0.49 0.23 0.00 0.00 176.35 178.06 2p3i n PHE 122 N 3.91 -1.86 -0.67 0.29 3.01 -1.26 -1.99 117.46 118.88 2p3i n PHE 122 Ca -0.20 0.81 0.00 0.00 1.01 0.00 0.00 57.45 59.08 2p3i n PHE 122 Cb 0.52 -3.57 0.00 0.00 -0.01 0.00 0.00 39.48 36.41 2p3i n PHE 122 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2p3i n GLY 123 N -1.67 1.50 3.28 1.37 0.00 -1.26 -5.01 105.19 103.39 2p3i n GLY 123 Ca -0.09 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.67 2p3i n GLY 123 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2p3i s THR 124 N -3.60 1.78 -0.00 2.61 -4.23 -0.84 -5.08 115.64 106.28 2p3i s THR 124 Ca 0.00 -1.35 -0.30 0.00 -1.18 0.00 0.00 61.69 58.86 2p3i s THR 124 Cb 0.00 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.23 2p3i s THR 124 CO 0.00 0.15 1.25 -1.58 -0.54 0.00 0.00 174.62 173.90 2p3i s GLN 125 N -1.44 4.36 0.00 3.99 2.00 -1.26 -0.76 119.66 126.56 2p3i s GLN 125 Ca 0.08 1.78 0.06 0.00 -2.00 0.00 0.00 55.36 55.27 2p3i s GLN 125 Cb -0.09 -3.48 -0.02 0.00 0.80 0.00 0.00 33.01 30.22 2p3i s GLN 125 CO 0.03 -0.41 -0.18 -1.21 -0.50 0.00 0.00 175.29 173.02 2p3i s GLU 126 N 1.84 1.36 -0.24 1.67 0.41 0.98 -4.95 118.70 119.78 2p3i s GLU 126 Ca 0.59 -0.69 -0.12 0.00 -0.41 0.00 0.00 54.97 54.34 2p3i s GLU 126 Cb -0.28 -1.34 -0.05 0.00 -1.78 0.00 0.00 34.13 30.68 2p3i s GLU 126 CO 0.25 0.36 0.23 -0.65 -0.49 0.00 0.00 175.26 174.97 2p3i s GLN 127 N -0.60 4.08 -0.03 1.61 -1.52 -1.26 -0.81 119.66 121.12 2p3i s GLN 127 Ca 0.06 -0.15 0.03 0.00 -1.95 0.00 0.00 55.36 53.35 2p3i s GLN 127 Cb -0.07 -3.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.16 2p3i s GLN 127 CO -0.00 -0.01 -0.12 0.42 -0.25 0.00 0.00 175.29 175.33 2p3i s ILE 128 N 1.26 0.99 -0.27 1.08 -1.09 -0.30 -4.97 121.20 117.90 2p3i s ILE 128 Ca 0.10 -0.47 -0.20 0.00 -2.23 0.00 0.00 60.65 57.85 2p3i s ILE 128 Cb -0.14 -0.87 -0.02 0.00 -1.58 0.00 0.00 42.46 39.85 2p3i s ILE 128 CO 0.06 0.30 0.63 -0.89 -1.23 0.00 0.00 174.94 173.81 2p3i s THR 129 N 0.17 4.97 0.27 2.92 2.01 -1.26 -1.01 115.64 123.69 2p3i s THR 129 Ca -0.04 1.04 0.09 0.00 0.31 0.00 0.00 61.69 63.09 2p3i s THR 129 Cb -0.10 -3.96 -0.05 0.00 0.01 0.00 0.00 72.50 68.40 2p3i s THR 129 CO 0.01 -0.03 -0.12 0.27 -0.69 0.00 0.00 174.62 174.06 2p3i s ILE 130 N 2.54 1.97 0.08 1.82 -5.25 -0.30 -4.93 121.20 117.13 2p3i s ILE 130 Ca 0.26 -2.23 -0.15 0.00 -0.99 0.00 0.00 60.65 57.54 2p3i s ILE 130 Cb -0.15 -2.32 0.02 0.00 2.95 0.00 0.00 42.46 42.96 2p3i s ILE 130 CO 0.10 -0.40 0.34 0.00 -1.79 0.00 0.00 174.94 173.19 2p3i s ALA 131 N -2.81 -0.76 -0.19 2.27 0.00 -1.26 -1.51 121.76 117.49 2p3i s ALA 131 Ca 0.28 -0.04 -0.05 0.00 0.00 0.00 0.00 51.96 52.15 2p3i s ALA 131 Cb 0.00 0.47 0.07 0.00 0.00 0.00 0.00 23.12 23.66 2p3i s ALA 131 CO 0.12 -0.51 0.10 1.21 0.00 0.00 0.00 175.76 176.68 2p3i s ASN 132 N -2.40 2.58 0.23 0.00 2.47 0.53 -4.93 114.94 113.41 2p3i s ASN 132 Ca -0.01 -0.75 0.25 0.00 0.42 0.00 0.00 52.86 52.77 2p3i s ASN 132 Cb 0.01 -0.27 0.91 0.00 -1.45 0.00 0.00 41.25 40.45 2p3i s ASN 132 CO -0.07 -0.37 1.74 0.00 -3.72 0.00 0.00 177.10 174.68 2p3i n ALA 133 N 5.27 1.93 -2.25 1.71 0.00 -1.26 -1.19 120.51 124.73 2p3i n ALA 133 Ca -0.07 0.03 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 2p3i n ALA 133 Cb 0.48 -1.42 -0.04 0.00 0.00 0.00 0.00 19.45 18.47 2p3i n ALA 133 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2p3i s SER 134 N -4.30 7.26 0.27 0.00 0.15 -1.26 -4.84 113.70 110.98 2p3i s SER 134 Ca 0.07 1.99 0.03 0.00 0.70 0.00 0.00 55.95 58.74 2p3i s SER 134 Cb 0.11 -2.59 0.39 0.00 -1.71 0.00 0.00 66.02 62.21 2p3i s SER 134 CO 0.48 -0.27 1.69 1.56 1.20 0.00 0.00 173.24 177.89 2p3i h GLN 135 N 5.76 0.41 0.00 5.44 4.20 -1.95 0.22 115.11 129.20 2p3i h GLN 135 Ca -0.43 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.10 2p3i h GLN 135 Cb 1.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2p3i h GLN 135 CO 0.75 0.70 -0.76 0.25 -0.67 0.00 0.00 178.83 179.10 2p3i n THR 136 N -4.07 0.00 -3.99 -0.54 -2.24 -1.26 -4.36 114.28 97.83 2p3i n THR 136 Ca -0.01 -0.03 -0.32 0.00 -2.27 0.00 0.00 64.05 61.42 2p3i n THR 136 Cb 0.45 0.45 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2p3i n THR 136 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 2p3i s GLN 137 N -1.57 3.23 0.81 -0.78 -0.21 -1.26 -4.85 119.66 115.03 2p3i s GLN 137 Ca 0.00 -0.47 -0.11 0.00 0.02 0.00 0.00 55.36 54.80 2p3i s GLN 137 Cb 0.00 -2.95 0.08 0.00 1.00 0.00 0.00 33.01 31.14 2p3i s GLN 137 CO 0.00 0.63 1.09 -1.58 -2.12 0.00 0.00 175.29 173.31 2p3i s TRP 138 N -1.35 2.50 -0.13 0.91 0.52 -0.19 -3.93 118.94 117.26 2p3i s TRP 138 Ca 0.29 1.45 -0.01 0.00 0.02 0.00 0.00 56.10 57.85 2p3i s TRP 138 Cb -0.12 -3.08 0.04 0.00 -1.15 0.00 0.00 33.47 29.15 2p3i s TRP 138 CO 0.21 -1.99 -0.03 0.21 0.02 0.00 0.00 176.95 175.36 2p3i s LYS 139 N -4.92 1.12 -0.17 4.98 2.20 -0.71 -1.07 119.74 121.17 2p3i s LYS 139 Ca 0.62 -0.28 -0.17 0.00 -0.36 0.00 0.00 55.97 55.78 2p3i s LYS 139 Cb -0.17 -1.67 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 2p3i s LYS 139 CO 0.56 -0.39 0.43 -0.06 -0.36 0.00 0.00 175.35 175.53 2p3i s PHE 140 N 1.77 3.43 -0.10 4.03 0.40 -0.05 -0.53 117.98 126.94 2p3i s PHE 140 Ca 0.03 0.73 0.04 0.00 -0.60 0.00 0.00 56.93 57.12 2p3i s PHE 140 Cb -0.14 -2.54 -0.00 0.00 0.51 0.00 0.00 43.02 40.84 2p3i s PHE 140 CO -0.07 0.06 -0.23 0.42 0.70 0.00 0.00 175.22 176.10 2p3i s ILE 141 N 1.07 2.18 -0.15 0.64 1.01 -0.14 -1.67 121.20 124.14 2p3i s ILE 141 Ca 0.22 -0.98 -0.22 0.00 0.00 0.00 0.00 60.65 59.66 2p3i s ILE 141 Cb -0.15 -1.84 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 2p3i s ILE 141 CO 0.08 0.56 0.69 -1.81 0.00 0.00 0.00 174.94 174.46 2p3i s ASP 142 N 0.26 6.83 -0.18 3.58 1.01 -1.12 -0.79 116.67 126.27 2p3i s ASP 142 Ca -0.16 1.01 -0.04 0.00 0.71 0.00 0.00 52.55 54.07 2p3i s ASP 142 Cb -0.17 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2p3i s ASP 142 CO 0.08 -0.24 -0.02 -0.69 0.21 0.00 0.00 175.17 174.50 2p3i s VAL 143 N 1.58 3.85 0.05 -1.27 1.01 0.81 -1.64 120.40 124.80 2p3i s VAL 143 Ca 0.33 -0.36 0.04 0.00 0.00 0.00 0.00 61.98 61.99 2p3i s VAL 143 Cb -0.16 -2.71 -0.02 0.00 0.00 0.00 0.00 36.38 33.48 2p3i s VAL 143 CO 0.13 0.46 -0.11 0.68 0.00 0.00 0.00 175.10 176.26 2p3i s VAL 144 N 0.73 0.84 0.13 2.92 -7.23 -0.22 -1.09 120.40 116.49 2p3i s VAL 144 Ca -0.01 -1.11 0.04 0.00 -1.81 0.00 0.00 61.98 59.09 2p3i s VAL 144 Cb -0.14 -0.83 -0.04 0.00 0.56 0.00 0.00 36.38 35.92 2p3i s VAL 144 CO 0.02 -0.24 -0.10 -1.59 -0.31 0.00 0.00 175.10 172.89 2p3i s LYS 145 N -1.50 1.00 0.00 4.82 -2.85 -0.86 -0.89 119.74 119.47 2p3i s LYS 145 Ca -0.04 -1.40 0.00 0.00 -1.00 0.00 0.00 55.97 53.53 2p3i s LYS 145 Cb -0.09 -0.55 0.00 0.00 -2.06 0.00 0.00 37.83 35.13 2p3i s LYS 145 CO 0.01 0.06 0.48 0.25 0.10 0.00 0.00 175.35 176.26 2p3i n THR 146 N -0.09 0.00 -4.08 3.79 -2.24 -1.26 -1.40 114.28 109.00 2p3i n THR 146 Ca -0.11 -0.50 -0.07 0.00 -2.27 0.00 0.00 64.05 61.09 2p3i n THR 146 Cb 0.60 1.01 -0.10 0.00 -2.10 0.00 0.00 70.33 69.74 2p3i n THR 146 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2p3i s THR 147 N -0.08 0.20 0.23 4.28 -4.23 -1.26 -4.34 115.64 110.44 2p3i s THR 147 Ca 0.00 -1.76 -0.06 0.00 -1.18 0.00 0.00 61.69 58.69 2p3i s THR 147 Cb 0.00 -1.57 0.18 0.00 1.34 0.00 0.00 72.50 72.46 2p3i s THR 147 CO 0.00 -0.90 1.77 -0.61 -0.54 0.00 0.00 174.62 174.35 2p3i h GLN 148 N 3.08 0.58 -0.62 3.99 4.15 -1.93 -2.34 115.11 122.02 2p3i h GLN 148 Ca -0.34 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.04 2p3i h GLN 148 Cb 1.15 -0.13 0.00 0.00 0.21 0.00 0.00 27.48 28.71 2p3i h GLN 148 CO 0.64 0.38 0.00 0.09 -1.93 0.00 0.00 178.83 178.01 2p3i n ASN 149 N -4.87 4.29 -4.70 -0.69 3.02 -1.26 -4.99 115.26 106.05 2p3i n ASN 149 Ca 0.12 -2.30 -0.29 0.00 -0.03 0.00 0.00 54.58 52.08 2p3i n ASN 149 Cb 0.29 -0.51 0.16 0.00 -0.61 0.00 0.00 39.78 39.11 2p3i n ASN 149 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 2p3i s GLY 150 N -1.00 1.57 0.33 7.41 0.00 -0.88 -5.05 107.32 109.70 2p3i s GLY 150 Ca 0.47 -0.35 -0.07 0.00 0.00 0.00 0.00 44.72 44.77 2p3i s GLY 150 CO 0.25 0.23 0.63 -1.35 0.00 0.00 0.00 173.10 172.87 2p3i s SER 151 N -3.56 6.48 0.08 1.64 1.04 -1.26 -4.95 113.70 113.16 2p3i s SER 151 Ca 0.65 0.88 -0.27 0.00 0.48 0.00 0.00 55.95 57.68 2p3i s SER 151 Cb -0.18 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.67 2p3i s SER 151 CO 0.57 -0.27 0.85 -0.31 0.98 0.00 0.00 173.24 175.06 2p3i s TYR 152 N -2.18 3.78 0.19 5.02 1.51 -1.26 -4.54 117.35 119.86 2p3i s TYR 152 Ca 0.47 1.63 0.09 0.00 -1.01 0.00 0.00 57.07 58.25 2p3i s TYR 152 Cb -0.11 -2.92 -0.04 0.00 -0.11 0.00 0.00 41.96 38.78 2p3i s TYR 152 CO 0.30 0.26 -0.11 -1.12 -1.11 0.00 0.00 175.55 173.76 2p3i s SER 153 N -0.08 4.14 -0.11 2.29 0.01 -0.07 -4.89 113.70 114.99 2p3i s SER 153 Ca 0.42 -0.62 -0.03 0.00 1.31 0.00 0.00 55.95 57.03 2p3i s SER 153 Cb -0.22 -0.66 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 2p3i s SER 153 CO 0.26 0.10 0.00 -1.10 0.41 0.00 0.00 173.24 172.92 2p3i s GLN 154 N -2.84 3.25 0.04 12.44 -0.21 -1.26 -1.06 119.66 130.02 2p3i s GLN 154 Ca 0.25 -0.41 0.01 0.00 0.02 0.00 0.00 55.36 55.22 2p3i s GLN 154 Cb -0.09 -2.88 -0.03 0.00 1.00 0.00 0.00 33.01 31.02 2p3i s GLN 154 CO 0.15 0.56 -0.05 0.71 -2.12 0.00 0.00 175.29 174.54 2p3i s TYR 155 N -0.49 0.45 -0.65 0.91 1.51 -0.65 -5.03 117.35 113.41 2p3i s TYR 155 Ca 0.09 -0.62 -0.15 0.00 -1.01 0.00 0.00 57.07 55.38 2p3i s TYR 155 Cb -0.12 -0.30 0.02 0.00 -0.11 0.00 0.00 41.96 41.45 2p3i s TYR 155 CO 0.02 -0.18 0.64 0.41 -1.11 0.00 0.00 175.55 175.33 2p3i n GLY 156 N 1.25 -0.82 3.80 0.71 0.00 -1.26 -2.77 105.19 106.10 2p3i n GLY 156 Ca -0.22 0.85 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 2p3i n GLY 156 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2p3i s PRO 157 N -3.60 3.42 -0.23 1.61 0.04 -1.26 -4.59 135.00 130.40 2p3i s PRO 157 Ca 0.15 1.23 -0.03 0.00 0.04 0.00 0.00 61.00 62.39 2p3i s PRO 157 Cb -0.02 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.48 2p3i s PRO 157 CO 0.86 -0.73 -0.05 -1.17 0.04 0.00 0.00 177.00 175.94 2p3i s LEU 158 N -4.30 2.98 -0.14 -3.56 2.96 -0.67 -1.61 118.68 114.33 2p3i s LEU 158 Ca 0.64 -0.58 -0.19 0.00 -0.22 0.00 0.00 54.13 53.78 2p3i s LEU 158 Cb -0.16 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 2p3i s LEU 158 CO 0.34 -0.06 0.54 -1.10 -1.32 0.00 0.00 176.35 174.75 2p3i s GLN 159 N 1.42 4.31 -0.02 1.98 -1.52 0.60 -0.87 119.66 125.56 2p3i s GLN 159 Ca 0.04 0.53 0.01 0.00 -1.95 0.00 0.00 55.36 53.99 2p3i s GLN 159 Cb -0.15 -3.48 0.01 0.00 -0.22 0.00 0.00 33.01 29.17 2p3i s GLN 159 CO -0.04 0.03 -0.02 0.45 -0.25 0.00 0.00 175.29 175.45 2p3i s SER 160 N 0.84 0.48 -0.16 5.90 0.15 -0.24 -1.24 113.70 119.43 2p3i s SER 160 Ca 0.28 -0.06 -0.23 0.00 0.70 0.00 0.00 55.95 56.65 2p3i s SER 160 Cb -0.16 -0.18 -0.23 0.00 -1.71 0.00 0.00 66.02 63.74 2p3i s SER 160 CO 0.11 -0.03 0.47 0.74 1.20 0.00 0.00 173.24 175.73 2p3i h THR 161 N 5.75 1.23 0.00 6.45 2.02 -1.88 -0.49 112.91 125.99 2p3i h THR 161 Ca -0.36 -2.29 0.00 0.00 0.77 0.00 0.00 66.41 64.53 2p3i h THR 161 Cb 1.16 2.71 0.00 0.00 -1.74 0.00 0.00 68.15 70.29 2p3i h THR 161 CO 0.49 0.50 0.00 -2.65 0.37 0.00 0.00 175.52 174.23 2p3i n PRO 162 N -4.37 0.07 -2.40 6.66 -0.02 -1.26 -4.90 135.00 128.78 2p3i n PRO 162 Ca -0.23 0.38 -0.15 0.00 -2.02 0.00 0.00 63.50 61.48 2p3i n PRO 162 Cb 0.67 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.50 2p3i n PRO 162 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2p3i n LYS 163 N -1.78 -1.71 -4.45 -0.52 5.02 -1.26 -4.90 118.16 108.56 2p3i n LYS 163 Ca 0.02 0.69 -0.30 0.00 -2.02 0.00 0.00 58.31 56.69 2p3i n LYS 163 Cb 0.14 -4.98 -0.12 0.00 -0.02 0.00 0.00 35.03 30.05 2p3i n LYS 163 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2p3i s LEU 164 N -4.31 2.75 0.12 -0.35 1.43 -1.26 -4.04 118.68 113.01 2p3i s LEU 164 Ca 0.05 -0.44 -0.03 0.00 -1.03 0.00 0.00 54.13 52.68 2p3i s LEU 164 Cb -0.02 -1.60 -0.03 0.00 0.03 0.00 0.00 46.19 44.56 2p3i s LEU 164 CO 0.06 0.22 0.09 -0.47 0.23 0.00 0.00 176.35 176.48 2p3i s TYR 165 N -1.05 0.65 -0.02 0.29 5.04 -0.99 -4.89 117.35 116.39 2p3i s TYR 165 Ca 0.17 -1.06 -0.19 0.00 -2.44 0.00 0.00 57.07 53.54 2p3i s TYR 165 Cb -0.11 -0.35 0.04 0.00 0.35 0.00 0.00 41.96 41.89 2p3i s TYR 165 CO 0.08 -0.53 0.41 0.00 -1.34 0.00 0.00 175.55 174.18 2p3i s ALA 166 N -3.99 -1.06 0.04 3.97 0.00 -1.26 0.21 121.76 119.67 2p3i s ALA 166 Ca 0.18 0.57 0.03 0.00 0.00 0.00 0.00 51.96 52.74 2p3i s ALA 166 Cb 0.07 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.25 2p3i s ALA 166 CO -0.02 -0.31 -0.08 0.14 0.00 0.00 0.00 175.76 175.49 2p3i s VAL 167 N -1.43 0.62 -0.09 0.00 -7.23 -0.80 -3.35 120.40 108.12 2p3i s VAL 167 Ca -0.12 -0.97 -0.09 0.00 -1.81 0.00 0.00 61.98 58.99 2p3i s VAL 167 Cb -0.03 -0.64 0.02 0.00 0.56 0.00 0.00 36.38 36.29 2p3i s VAL 167 CO 0.05 -0.27 0.25 -0.32 -0.31 0.00 0.00 175.10 174.50 2p3i s MET 168 N -1.35 0.32 -0.25 4.82 0.00 -0.41 -0.58 119.30 121.84 2p3i s MET 168 Ca -0.07 0.30 -0.19 0.00 0.00 0.00 0.00 55.69 55.74 2p3i s MET 168 Cb -0.09 0.15 -0.02 0.00 0.00 0.00 0.00 34.83 34.87 2p3i s MET 168 CO 0.01 -0.04 0.56 0.15 0.00 0.00 0.00 175.02 175.69 2p3i s LYS 169 N 0.02 4.10 -0.22 4.11 1.02 -1.26 0.13 119.74 127.64 2p3i s LYS 169 Ca -0.01 0.42 -0.12 0.00 0.02 0.00 0.00 55.97 56.28 2p3i s LYS 169 Cb -0.02 -3.64 0.07 0.00 -0.52 0.00 0.00 37.83 33.72 2p3i s LYS 169 CO 0.01 -0.35 0.54 -1.58 -0.92 0.00 0.00 175.35 173.05 2p3i s HIS 170 N 2.31 -0.85 -1.40 3.18 2.46 -0.42 -0.32 115.29 120.25 2p3i s HIS 170 Ca 0.23 1.71 -0.06 0.00 0.47 0.00 0.00 55.06 57.42 2p3i s HIS 170 Cb -0.16 0.45 0.00 0.00 -0.13 0.00 0.00 32.58 32.75 2p3i s HIS 170 CO 0.09 -0.44 0.36 -1.71 -2.47 0.00 0.00 174.74 170.56 2p3i n ASN 171 N 4.39 -0.83 0.00 9.88 5.15 -1.26 -1.58 115.26 131.00 2p3i n ASN 171 Ca -0.21 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.65 2p3i n ASN 171 Cb 0.56 -2.50 0.00 0.00 -0.53 0.00 0.00 39.78 37.31 2p3i n ASN 171 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2p3i n GLY 172 N -2.15 0.48 3.12 8.20 0.00 -1.26 -5.01 105.19 108.57 2p3i n GLY 172 Ca -0.27 -0.30 -0.08 0.00 0.00 0.00 0.00 46.02 45.37 2p3i n GLY 172 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2p3i s LYS 173 N -0.57 0.72 -0.19 1.61 1.02 -0.62 -1.08 119.74 120.63 2p3i s LYS 173 Ca 0.00 -1.26 -0.07 0.00 0.02 0.00 0.00 55.97 54.66 2p3i s LYS 173 Cb 0.00 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.50 2p3i s LYS 173 CO 0.00 -0.17 0.05 0.42 -0.92 0.00 0.00 175.35 174.73 2p3i s ILE 174 N -3.95 4.52 -0.08 2.17 1.01 -0.20 -1.31 121.20 123.37 2p3i s ILE 174 Ca 0.11 -0.12 -0.04 0.00 0.00 0.00 0.00 60.65 60.60 2p3i s ILE 174 Cb 0.08 -3.05 -0.04 0.00 0.01 0.00 0.00 42.46 39.46 2p3i s ILE 174 CO -0.07 0.44 0.11 -0.31 0.00 0.00 0.00 174.94 175.11 2p3i s TYR 175 N 0.65 3.46 0.20 3.97 1.51 0.12 -0.70 117.35 126.56 2p3i s TYR 175 Ca 0.02 0.39 0.01 0.00 -1.01 0.00 0.00 57.07 56.49 2p3i s TYR 175 Cb -0.13 -1.87 -0.05 0.00 -0.11 0.00 0.00 41.96 39.80 2p3i s TYR 175 CO 0.02 0.65 0.05 0.95 -1.11 0.00 0.00 175.55 176.11 2p3i s THR 176 N -1.07 0.52 0.60 -0.71 -4.23 -0.47 -1.28 115.64 109.01 2p3i s THR 176 Ca 0.18 -1.98 -0.09 0.00 -1.18 0.00 0.00 61.69 58.61 2p3i s THR 176 Cb -0.12 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.37 2p3i s THR 176 CO 0.07 -0.26 0.97 -0.31 -0.54 0.00 0.00 174.62 174.55 2p3i s TYR 177 N -3.77 3.50 0.13 3.99 1.51 -1.21 -1.15 117.35 120.34 2p3i s TYR 177 Ca 0.30 1.04 -0.19 0.00 -1.01 0.00 0.00 57.07 57.21 2p3i s TYR 177 Cb 0.07 -2.70 0.05 0.00 -0.11 0.00 0.00 41.96 39.26 2p3i s TYR 177 CO 0.08 -0.72 0.48 1.21 -1.11 0.00 0.00 175.55 175.48 2p3i s ASN 178 N -4.22 -0.37 0.00 2.29 3.04 0.01 -4.57 114.94 111.13 2p3i s ASN 178 Ca 0.54 -0.15 0.00 0.00 0.04 0.00 0.00 52.86 53.29 2p3i s ASN 178 Cb -0.11 0.51 0.00 0.00 -1.54 0.00 0.00 41.25 40.12 2p3i s ASN 178 CO 0.50 -0.87 0.00 0.61 -3.04 0.00 0.00 177.10 174.30 2p3i n GLY 179 N -0.19 0.68 2.79 1.21 0.00 -0.64 -1.14 105.19 107.91 2p3i n GLY 179 Ca -0.17 -1.72 -0.22 0.00 0.00 0.00 0.00 46.02 43.92 2p3i n GLY 179 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2p3i s GLU 180 N 0.00 0.61 0.49 1.61 2.02 -1.26 -0.29 118.70 121.88 2p3i s GLU 180 Ca 0.00 0.07 -0.23 0.00 0.02 0.00 0.00 54.97 54.83 2p3i s GLU 180 Cb 0.00 -0.90 -0.07 0.00 0.10 0.00 0.00 34.13 33.27 2p3i s GLU 180 CO 0.00 -0.25 1.35 0.95 0.02 0.00 0.00 175.26 177.33 2p3i s THR 181 N 1.72 2.25 -0.54 3.63 -4.23 -0.38 -1.14 115.64 116.95 2p3i s THR 181 Ca 0.01 0.20 -0.01 0.00 -1.18 0.00 0.00 61.69 60.72 2p3i s THR 181 Cb -0.13 -3.11 0.44 0.00 1.34 0.00 0.00 72.50 71.04 2p3i s THR 181 CO -0.04 0.01 1.98 -0.81 -0.54 0.00 0.00 174.62 175.22 2p3i n PRO 182 N -0.58 2.39 -2.90 3.99 -0.04 -1.26 -4.83 135.00 131.77 2p3i n PRO 182 Ca 0.08 -2.83 -0.18 0.00 -0.04 0.00 0.00 63.50 60.52 2p3i n PRO 182 Cb 0.44 -2.11 -0.01 0.00 -0.04 0.00 0.00 33.50 31.78 2p3i n PRO 182 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 2p3i n ASN 183 N -0.70 2.16 -4.84 3.54 3.02 -0.29 -4.90 115.26 113.24 2p3i n ASN 183 Ca 0.55 -3.14 -0.31 0.00 -0.03 0.00 0.00 54.58 51.65 2p3i n ASN 183 Cb 0.85 -0.56 0.05 0.00 -0.61 0.00 0.00 39.78 39.51 2p3i n ASN 183 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2p3i s VAL 184 N -3.39 3.96 0.05 2.41 -7.23 -1.24 -4.42 120.40 110.54 2p3i s VAL 184 Ca 0.39 0.64 0.01 0.00 -1.81 0.00 0.00 61.98 61.20 2p3i s VAL 184 Cb 0.37 -3.49 -0.00 0.00 0.56 0.00 0.00 36.38 33.82 2p3i s VAL 184 CO -0.07 -0.83 0.02 0.35 -0.31 0.00 0.00 175.10 174.26 2p3i n THR 185 N -3.06 0.00 -4.42 5.32 -2.24 -0.29 -4.99 114.28 104.60 2p3i n THR 185 Ca 0.07 -0.29 -0.21 0.00 -2.27 0.00 0.00 64.05 61.34 2p3i n THR 185 Cb 0.55 0.11 -0.10 0.00 -2.10 0.00 0.00 70.33 68.79 2p3i n THR 185 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2p3i s THR 186 N -1.77 1.93 0.14 4.28 -4.23 -1.26 -0.81 115.64 113.92 2p3i s THR 186 Ca 0.03 -2.23 -0.02 0.00 -1.18 0.00 0.00 61.69 58.29 2p3i s THR 186 Cb 0.00 -2.30 -0.03 0.00 1.34 0.00 0.00 72.50 71.51 2p3i s THR 186 CO 0.02 -0.42 0.10 -1.59 -0.54 0.00 0.00 174.62 172.20 2p3i s LYS 187 N -3.64 0.99 0.18 3.99 -2.85 -0.30 -4.85 119.74 113.27 2p3i s LYS 187 Ca 0.27 -1.42 -0.04 0.00 -1.00 0.00 0.00 55.97 53.79 2p3i s LYS 187 Cb 0.00 0.27 -0.03 0.00 -2.06 0.00 0.00 37.83 36.01 2p3i s LYS 187 CO 0.11 -0.30 0.18 1.52 0.10 0.00 0.00 175.35 176.96 2p3i s TYR 188 N -4.05 0.85 -0.05 1.78 -0.85 -1.26 -1.37 117.35 112.40 2p3i s TYR 188 Ca 0.24 -1.15 -0.02 0.00 -0.52 0.00 0.00 57.07 55.63 2p3i s TYR 188 Cb 0.07 -0.35 0.03 0.00 0.38 0.00 0.00 41.96 42.08 2p3i s TYR 188 CO 0.03 -0.67 0.04 0.71 -1.52 0.00 0.00 175.55 174.14 2p3i s TYR 189 N -4.08 0.28 0.27 -3.49 1.51 0.12 -4.97 117.35 106.99 2p3i s TYR 189 Ca 0.29 0.10 -0.30 0.00 -1.01 0.00 0.00 57.07 56.15 2p3i s TYR 189 Cb 0.05 -0.60 -0.11 0.00 -0.11 0.00 0.00 41.96 41.20 2p3i s TYR 189 CO 0.07 -0.24 1.52 -1.12 -1.11 0.00 0.00 175.55 174.66 2p3i s SER 190 N 2.10 6.51 -0.10 2.29 0.01 -1.26 -1.03 113.70 122.22 2p3i s SER 190 Ca 0.05 2.80 -0.04 0.00 1.31 0.00 0.00 55.95 60.08 2p3i s SER 190 Cb -0.12 -2.63 0.05 0.00 0.21 0.00 0.00 66.02 63.53 2p3i s SER 190 CO -0.04 -0.81 0.16 -0.89 0.41 0.00 0.00 173.24 172.07 2p3i s THR 191 N 0.03 -0.26 0.39 1.44 2.01 -0.24 -4.88 115.64 114.13 2p3i s THR 191 Ca 0.62 0.27 -0.26 0.00 0.31 0.00 0.00 61.69 62.63 2p3i s THR 191 Cb -0.45 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 71.62 2p3i s THR 191 CO 0.45 0.08 1.24 -0.89 -0.69 0.00 0.00 174.62 174.82 2p3i s THR 192 N 2.29 2.87 -1.45 -0.82 2.01 -1.26 -2.92 115.64 116.34 2p3i s THR 192 Ca 0.04 0.77 -0.08 0.00 0.31 0.00 0.00 61.69 62.73 2p3i s THR 192 Cb -0.13 -3.45 0.05 0.00 0.01 0.00 0.00 72.50 68.98 2p3i s THR 192 CO -0.07 0.11 0.83 0.59 -0.69 0.00 0.00 174.62 175.40 2p3i n ASN 193 N 0.24 -3.14 0.08 3.53 4.13 -1.26 -4.83 115.26 114.01 2p3i n ASN 193 Ca 0.03 -0.82 0.08 0.00 1.68 0.00 0.00 54.58 55.55 2p3i n ASN 193 Cb 0.44 -3.82 0.54 0.00 -1.54 0.00 0.00 39.78 35.40 2p3i n ASN 193 CO 0.00 0.00 0.00 0.10 0.28 0.00 0.00 177.26 177.64 2p3i h TYR 194 N -1.97 0.27 0.00 3.10 -0.00 -1.86 -2.46 116.97 114.05 2p3i h TYR 194 Ca -0.60 0.01 -0.04 0.00 0.00 0.00 0.00 58.73 58.10 2p3i h TYR 194 Cb 1.37 -0.09 -0.01 0.00 0.00 0.00 0.00 36.73 38.01 2p3i h TYR 194 CO 0.53 0.16 -0.19 0.38 -0.00 0.00 0.00 178.16 179.03 2p3i h ASP 195 N 0.28 0.00 -0.44 0.10 2.03 -1.89 -3.00 116.42 113.49 2p3i h ASP 195 Ca 0.13 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.43 2p3i h ASP 195 Cb 0.16 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 2p3i h ASP 195 CO -0.03 0.19 0.00 -1.54 -1.03 0.00 0.00 179.24 176.84 2p3i n SER 196 N -3.56 3.49 -4.66 4.15 3.41 -0.93 -4.77 113.62 110.76 2p3i n SER 196 Ca -0.01 -1.98 -0.42 0.00 -0.26 0.00 0.00 58.87 56.20 2p3i n SER 196 Cb 0.34 -0.29 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 2p3i n SER 196 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 2p3i s VAL 197 N -1.34 3.24 0.29 -3.33 1.01 -1.14 -4.98 120.40 114.15 2p3i s VAL 197 Ca 0.39 0.28 -0.26 0.00 0.00 0.00 0.00 61.98 62.40 2p3i s VAL 197 Cb 0.22 -3.19 -0.09 0.00 0.00 0.00 0.00 36.38 33.32 2p3i s VAL 197 CO 0.30 -0.03 0.91 0.20 0.00 0.00 0.00 175.10 176.48 2p3i s ASN 198 N 4.19 7.33 -0.02 3.32 0.02 -1.26 -4.39 114.94 124.14 2p3i s ASN 198 Ca 0.83 1.78 0.07 0.00 -1.02 0.00 0.00 52.86 54.53 2p3i s ASN 198 Cb -0.39 -2.56 -0.02 0.00 0.02 0.00 0.00 41.25 38.31 2p3i s ASN 198 CO 0.37 -0.02 -0.24 -0.04 0.02 0.00 0.00 177.10 177.19 2p3i s MET 199 N -1.92 2.13 -0.26 -0.60 -1.94 0.29 -3.66 119.30 113.34 2p3i s MET 199 Ca 0.48 -0.92 -0.06 0.00 -1.71 0.00 0.00 55.69 53.48 2p3i s MET 199 Cb -0.19 -2.09 -0.00 0.00 2.01 0.00 0.00 34.83 34.56 2p3i s MET 199 CO 0.24 0.56 0.04 0.99 -0.01 0.00 0.00 175.02 176.84 2p3i s THR 200 N -0.66 3.79 -0.05 2.05 2.01 0.39 -1.46 115.64 121.71 2p3i s THR 200 Ca 0.11 -0.58 -0.17 0.00 0.31 0.00 0.00 61.69 61.35 2p3i s THR 200 Cb -0.10 -2.87 -0.05 0.00 0.01 0.00 0.00 72.50 69.49 2p3i s THR 200 CO -0.00 0.22 0.46 0.00 -0.69 0.00 0.00 174.62 174.61 2p3i s ALA 201 N 1.50 3.57 -1.32 7.40 0.00 -0.28 -1.75 121.76 130.88 2p3i s ALA 201 Ca 0.04 -0.17 0.18 0.00 0.00 0.00 0.00 51.96 52.00 2p3i s ALA 201 Cb -0.16 -2.55 0.56 0.00 0.00 0.00 0.00 23.12 20.97 2p3i s ALA 201 CO 0.01 0.23 1.48 1.19 0.00 0.00 0.00 175.76 178.66 2p3i n PHE 202 N 2.75 0.97 -4.01 0.00 3.01 -0.24 -3.12 117.46 116.82 2p3i n PHE 202 Ca -0.10 -0.56 -0.11 0.00 1.01 0.00 0.00 57.45 57.69 2p3i n PHE 202 Cb 0.52 -0.10 -0.04 0.00 -0.01 0.00 0.00 39.48 39.85 2p3i n PHE 202 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2p3i s ASP 204 N -3.10 5.27 0.10 0.00 1.01 -1.26 -3.93 116.67 114.76 2p3i s ASP 204 Ca 0.25 2.46 -0.05 0.00 0.71 0.00 0.00 52.55 55.91 2p3i s ASP 204 Cb -0.01 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.29 2p3i s ASP 204 CO 0.13 -1.54 0.12 0.72 0.21 0.00 0.00 175.17 174.81 2p3i s PHE 205 N -1.52 0.41 0.22 4.23 -0.12 -0.46 -1.65 117.98 119.09 2p3i s PHE 205 Ca 0.75 -0.85 0.09 0.00 -0.05 0.00 0.00 56.93 56.87 2p3i s PHE 205 Cb -0.32 -0.22 -0.05 0.00 -0.63 0.00 0.00 43.02 41.80 2p3i s PHE 205 CO 0.36 -0.53 -0.17 0.71 -0.05 0.00 0.00 175.22 175.55 2p3i s TYR 206 N -3.93 1.91 -0.13 3.49 1.51 0.09 -0.16 117.35 120.14 2p3i s TYR 206 Ca 0.11 -0.48 0.02 0.00 -1.01 0.00 0.00 57.07 55.71 2p3i s TYR 206 Cb 0.06 -0.88 -0.00 0.00 -0.11 0.00 0.00 41.96 41.03 2p3i s TYR 206 CO -0.07 0.46 -0.19 0.42 -1.11 0.00 0.00 175.55 175.06 2p3i s ILE 207 N -2.66 2.40 -0.06 2.71 -1.09 0.48 -0.56 121.20 122.41 2p3i s ILE 207 Ca 0.24 -0.88 0.01 0.00 -2.23 0.00 0.00 60.65 57.78 2p3i s ILE 207 Cb -0.03 -1.97 0.02 0.00 -1.58 0.00 0.00 42.46 38.91 2p3i s ILE 207 CO 0.09 0.54 -0.05 -0.63 -1.23 0.00 0.00 174.94 173.66 2p3i s ILE 208 N 0.53 0.67 0.59 2.92 1.01 -0.40 -2.64 121.20 123.89 2p3i s ILE 208 Ca -0.12 -0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 2p3i s ILE 208 Cb -0.17 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 2p3i s ILE 208 CO 0.04 0.27 1.15 -2.16 0.00 0.00 0.00 174.94 174.24 2p3i s PRO 209 N 1.17 3.10 0.47 2.79 0.04 -1.26 0.61 135.00 141.92 2p3i s PRO 209 Ca -0.07 1.62 0.22 0.00 0.04 0.00 0.00 61.00 62.81 2p3i s PRO 209 Cb -0.14 -1.97 1.22 0.00 0.04 0.00 0.00 34.50 33.66 2p3i s PRO 209 CO -0.01 -1.06 1.90 -0.09 0.04 0.00 0.00 177.00 177.78 2p3i h ARG 210 N 0.82 0.24 -0.03 4.56 2.43 -1.53 0.13 114.38 121.00 2p3i h ARG 210 Ca -0.49 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 58.67 2p3i h ARG 210 Cb 1.27 -0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2p3i h ARG 210 CO 0.56 0.16 0.03 0.93 -1.51 0.00 0.00 179.97 180.13 2p3i h GLU 211 N 0.24 0.00 -0.65 0.20 3.07 -1.91 -1.70 114.58 113.84 2p3i h GLU 211 Ca 0.40 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.85 2p3i h GLU 211 Cb 1.19 0.00 -0.24 0.00 -0.84 0.00 0.00 28.75 28.86 2p3i h GLU 211 CO -0.09 0.00 0.02 0.39 -1.40 0.00 0.00 179.01 177.92 2p3i n GLU 212 N -3.86 2.46 -0.01 2.33 1.02 0.03 -4.73 120.64 117.88 2p3i n GLU 212 Ca -0.02 -3.43 0.10 0.00 -0.02 0.00 0.00 57.16 53.79 2p3i n GLU 212 Cb 0.12 -2.06 0.52 0.00 -0.02 0.00 0.00 31.44 30.00 2p3i n GLU 212 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2p3i h GLU 213 N 1.48 0.35 -0.63 3.49 4.81 -1.35 -1.19 114.58 121.53 2p3i h GLU 213 Ca 0.38 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.63 2p3i h GLU 213 Cb 1.58 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 30.85 2p3i h GLU 213 CO 0.80 0.23 0.42 0.66 -0.73 0.00 0.00 179.01 180.39 2p3i h SER 214 N 0.36 0.63 -0.17 1.04 4.64 -1.85 0.11 113.55 118.31 2p3i h SER 214 Ca 0.21 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.45 2p3i h SER 214 Cb 0.38 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 2p3i h SER 214 CO -0.05 0.43 -0.18 0.74 -0.87 0.00 0.00 176.83 176.90 2p3i h THR 215 N 0.73 1.34 -0.40 2.95 2.02 -1.61 -2.17 112.91 115.78 2p3i h THR 215 Ca 0.26 -1.35 0.05 0.00 0.77 0.00 0.00 66.41 66.13 2p3i h THR 215 Cb 0.11 1.85 -0.05 0.00 -1.74 0.00 0.00 68.15 68.32 2p3i h THR 215 CO -0.07 0.40 0.12 0.00 0.37 0.00 0.00 175.52 176.34 2p3i h THR 217 N 0.27 1.25 -0.48 0.00 2.02 -0.79 -0.89 112.91 114.29 2p3i h THR 217 Ca 0.19 -0.69 0.04 0.00 0.77 0.00 0.00 66.41 66.72 2p3i h THR 217 Cb 0.19 0.23 -0.04 0.00 -1.74 0.00 0.00 68.15 66.79 2p3i h THR 217 CO -0.21 0.29 0.24 -0.08 0.37 0.00 0.00 175.52 176.13 2p3i h GLU 218 N 1.12 0.45 -0.42 6.66 4.57 -0.94 -0.63 114.58 125.40 2p3i h GLU 218 Ca 0.27 -0.03 -0.07 0.00 -1.18 0.00 0.00 59.36 58.35 2p3i h GLU 218 Cb 0.11 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.58 2p3i h GLU 218 CO -0.04 0.30 -0.03 1.88 -1.18 0.00 0.00 179.01 179.95 2p3i h TYR 219 N 0.47 0.83 -0.60 0.92 0.99 -0.79 0.30 116.97 119.08 2p3i h TYR 219 Ca 0.21 -0.15 0.05 0.00 2.00 0.00 0.00 58.73 60.84 2p3i h TYR 219 Cb 0.12 -0.21 -0.05 0.00 1.00 0.00 0.00 36.73 37.59 2p3i h TYR 219 CO -0.10 0.83 0.32 0.82 -0.00 0.00 0.00 178.16 180.03 2p3i h ILE 220 N 0.58 0.96 -0.39 -2.88 1.08 -0.93 0.29 117.51 116.22 2p3i h ILE 220 Ca 0.11 -0.21 -0.16 0.00 -0.39 0.00 0.00 64.86 64.22 2p3i h ILE 220 Cb 0.52 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.57 2p3i h ILE 220 CO 0.03 0.11 -0.38 0.78 -0.69 0.00 0.00 178.15 178.00 2p3i h ASN 221 N 0.60 1.01 0.00 1.72 2.35 -0.92 -3.41 115.58 116.94 2p3i h ASN 221 Ca 0.27 -0.46 0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2p3i h ASN 221 Cb 0.16 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.25 2p3i h ASN 221 CO -0.17 1.26 0.00 0.59 -1.65 0.00 0.00 177.43 177.46 2p3i n ASN 222 N -4.06 0.10 0.00 5.81 5.03 0.08 -4.43 115.26 117.78 2p3i n ASN 222 Ca -0.02 -0.45 0.00 0.00 0.87 0.00 0.00 54.58 54.97 2p3i n ASN 222 Cb 0.54 0.63 0.00 0.00 -1.02 0.00 0.00 39.78 39.93 2p3i n ASN 222 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2p3i n GLY 223 N 0.63 0.58 0.00 7.41 0.00 0.10 -4.93 105.19 108.97 2p3i n GLY 223 Ca 0.00 -1.86 0.12 0.00 0.00 0.00 0.00 46.02 44.28 2p3i n GLY 223 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36