#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i8n s THR 38 N 0.00 -0.09 0.16 2.62 2.01 -1.26 -1.04 115.64 118.04 1i8n s THR 38 Ca 0.00 0.21 0.03 0.00 0.31 0.00 0.00 61.69 62.25 1i8n s THR 38 Cb 0.00 -0.26 -0.05 0.00 0.01 0.00 0.00 72.50 72.20 1i8n s THR 38 CO 0.00 0.09 -0.06 0.27 -0.69 0.00 0.00 174.62 174.23 1i8n s ILE 39 N 1.41 0.98 0.03 1.82 -4.36 0.10 -4.94 121.20 116.24 1i8n s ILE 39 Ca -0.07 -2.02 -0.22 0.00 -0.26 0.00 0.00 60.65 58.08 1i8n s ILE 39 Cb -0.12 -1.95 0.05 0.00 1.25 0.00 0.00 42.46 41.70 1i8n s ILE 39 CO -0.06 -0.65 0.51 0.28 0.24 0.00 0.00 174.94 175.25 1i8n s THR 40 N -3.45 0.03 -0.47 8.37 -1.32 -1.26 -0.25 115.64 117.29 1i8n s THR 40 Ca 0.19 -0.26 0.13 0.00 -1.21 0.00 0.00 61.69 60.53 1i8n s THR 40 Cb 0.04 -0.94 0.72 0.00 -1.51 0.00 0.00 72.50 70.81 1i8n s THR 40 CO 0.02 -0.15 1.60 0.00 -2.21 0.00 0.00 174.62 173.88 1i8n n ALA 41 N 0.57 3.63 -1.89 11.08 0.00 -1.26 -4.92 120.51 127.72 1i8n n ALA 41 Ca -0.19 -1.65 -0.19 0.00 0.00 0.00 0.00 53.44 51.41 1i8n n ALA 41 Cb 0.59 -1.10 -0.05 0.00 0.00 0.00 0.00 19.45 18.89 1i8n n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i8n n GLY 42 N 0.63 0.94 0.94 0.00 0.00 -1.26 -4.90 105.19 101.54 1i8n n GLY 42 Ca 0.24 -0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.26 1i8n n GLY 42 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1i8n n ASN 43 N -1.35 3.75 0.00 1.61 6.94 -1.26 -4.94 115.26 120.02 1i8n n ASN 43 Ca -0.21 -2.59 0.00 0.00 -0.02 0.00 0.00 54.58 51.76 1i8n n ASN 43 Cb 0.65 -0.45 0.00 0.00 -2.36 0.00 0.00 39.78 37.62 1i8n n ASN 43 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 1i8n n GLU 44 N 0.11 0.00 -3.83 -3.83 0.00 -1.26 -5.02 120.64 106.81 1i8n n GLU 44 Ca 0.19 0.00 -0.36 0.00 0.00 0.00 0.00 57.16 56.99 1i8n n GLU 44 Cb 0.74 -1.14 -0.13 0.00 0.00 0.00 0.00 31.44 30.91 1i8n n GLU 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 1i8n s ASP 45 N -3.04 4.97 0.05 -1.84 1.01 -1.26 0.55 116.67 117.12 1i8n s ASP 45 Ca 0.00 -0.23 0.07 0.00 0.71 0.00 0.00 52.55 53.10 1i8n s ASP 45 Cb 0.00 -1.88 -0.03 0.00 1.01 0.00 0.00 42.92 42.01 1i8n s ASP 45 CO 0.00 -0.01 -0.15 0.00 0.21 0.00 0.00 175.17 175.21 1i8n s TRP 47 N -0.98 2.24 0.16 0.00 0.52 0.65 -0.06 118.94 121.46 1i8n s TRP 47 Ca 0.16 -0.87 0.11 0.00 0.02 0.00 0.00 56.10 55.51 1i8n s TRP 47 Cb -0.11 -1.52 -0.04 0.00 -1.15 0.00 0.00 33.47 30.66 1i8n s TRP 47 CO 0.07 -0.36 -0.24 -1.54 0.02 0.00 0.00 176.95 174.90 1i8n s SER 48 N 0.37 3.23 -0.08 2.95 1.04 -0.11 0.00 113.70 121.09 1i8n s SER 48 Ca -0.16 -0.80 -0.04 0.00 0.48 0.00 0.00 55.95 55.43 1i8n s SER 48 Cb -0.17 -0.22 -0.04 0.00 0.10 0.00 0.00 66.02 65.69 1i8n s SER 48 CO 0.07 0.13 0.10 -0.75 0.98 0.00 0.00 173.24 173.77 1i8n s LYS 49 N -2.35 3.28 -0.42 4.02 2.20 -0.21 0.64 119.74 126.91 1i8n s LYS 49 Ca 0.16 -0.26 0.02 0.00 -0.36 0.00 0.00 55.97 55.52 1i8n s LYS 49 Cb -0.09 -3.04 0.14 0.00 -1.51 0.00 0.00 37.83 33.33 1i8n s LYS 49 CO 0.07 0.73 0.23 1.03 -0.36 0.00 0.00 175.35 177.06 1i8n s ARG 50 N -1.19 1.10 0.36 4.03 1.81 0.40 -4.49 118.95 120.96 1i8n s ARG 50 Ca 0.17 -1.83 -0.28 0.00 -1.72 0.00 0.00 55.73 52.07 1i8n s ARG 50 Cb -0.12 -2.07 -0.11 0.00 -0.45 0.00 0.00 34.95 32.21 1i8n s ARG 50 CO 0.07 -1.17 1.47 -2.14 -0.68 0.00 0.00 175.30 172.84 1i8n s PRO 51 N 0.54 4.15 0.00 3.54 0.02 -1.26 -0.82 135.00 141.16 1i8n s PRO 51 Ca 0.18 2.52 0.00 0.00 0.02 0.00 0.00 61.00 63.72 1i8n s PRO 51 Cb -0.24 -2.99 0.00 0.00 0.02 0.00 0.00 34.50 31.29 1i8n s PRO 51 CO 0.00 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.60 1i8n n GLY 52 N 0.62 0.82 3.74 0.52 0.00 0.27 -4.63 105.19 106.52 1i8n n GLY 52 Ca 0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 1i8n n GLY 52 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1i8n s TRP 53 N -3.41 3.66 -0.11 1.61 0.52 -1.16 -0.48 118.94 119.57 1i8n s TRP 53 Ca 0.00 1.33 -0.04 0.00 0.02 0.00 0.00 56.10 57.41 1i8n s TRP 53 Cb 0.00 -2.77 0.05 0.00 -1.15 0.00 0.00 33.47 29.60 1i8n s TRP 53 CO 0.00 0.22 0.08 0.21 0.02 0.00 0.00 176.95 177.48 1i8n s LYS 54 N 0.23 -0.00 0.51 4.98 2.20 0.10 -4.33 119.74 123.44 1i8n s LYS 54 Ca 0.36 0.13 -0.08 0.00 -0.36 0.00 0.00 55.97 56.03 1i8n s LYS 54 Cb -0.19 -1.22 -0.04 0.00 -1.51 0.00 0.00 37.83 34.87 1i8n s LYS 54 CO 0.20 -0.52 0.85 -0.51 -0.36 0.00 0.00 175.35 175.02 1i8n s LEU 55 N 2.16 3.55 0.54 5.43 1.43 -1.26 -1.19 118.68 129.33 1i8n s LEU 55 Ca 0.03 1.10 -0.18 0.00 -1.03 0.00 0.00 54.13 54.05 1i8n s LEU 55 Cb -0.14 -4.07 -0.06 0.00 0.03 0.00 0.00 46.19 41.95 1i8n s LEU 55 CO -0.06 -0.63 1.05 -2.16 0.23 0.00 0.00 176.35 174.77 1i8n s PRO 56 N -4.73 3.57 0.41 1.29 0.04 -1.26 -4.94 135.00 129.38 1i8n s PRO 56 Ca 0.50 1.29 0.19 0.00 0.04 0.00 0.00 61.00 63.01 1i8n s PRO 56 Cb -0.10 -2.06 1.11 0.00 0.04 0.00 0.00 34.50 33.48 1i8n s PRO 56 CO 0.45 -0.61 1.80 -0.44 0.04 0.00 0.00 177.00 178.24 1i8n h ASP 57 N 1.01 0.42 0.64 6.66 3.32 -1.96 -0.68 116.42 125.84 1i8n h ASP 57 Ca -0.48 0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.63 1i8n h ASP 57 Cb 1.22 -0.01 0.00 0.00 0.22 0.00 0.00 39.33 40.76 1i8n h ASP 57 CO 0.58 0.11 0.00 -0.46 -1.72 0.00 0.00 179.24 177.76 1i8n n ASN 58 N -4.57 0.09 -1.24 6.45 6.94 -1.26 -1.53 115.26 120.15 1i8n n ASN 58 Ca 0.23 0.52 0.12 0.00 -0.02 0.00 0.00 54.58 55.43 1i8n n ASN 58 Cb 0.83 -0.54 0.28 0.00 -2.36 0.00 0.00 39.78 37.99 1i8n n ASN 58 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 1i8n n LEU 59 N -1.60 3.63 -4.29 -4.53 4.77 -0.26 -4.93 117.00 109.80 1i8n n LEU 59 Ca 0.04 -1.72 -0.22 0.00 -0.03 0.00 0.00 56.01 54.08 1i8n n LEU 59 Cb 0.21 -0.38 -0.12 0.00 -2.33 0.00 0.00 43.42 40.80 1i8n n LEU 59 CO 0.17 0.86 -0.49 -0.76 -1.33 0.00 0.00 177.39 175.84 1i8n s LEU 60 N -1.20 2.36 -0.19 2.23 1.43 -0.58 -1.27 118.68 121.47 1i8n s LEU 60 Ca 0.44 -0.76 0.01 0.00 -1.03 0.00 0.00 54.13 52.79 1i8n s LEU 60 Cb 0.24 -0.78 0.02 0.00 0.03 0.00 0.00 46.19 45.70 1i8n s LEU 60 CO 0.32 -0.02 -0.18 -0.89 0.23 0.00 0.00 176.35 175.81 1i8n s THR 61 N -1.65 2.14 0.26 5.49 2.01 0.66 -4.75 115.64 119.80 1i8n s THR 61 Ca 0.09 -1.00 -0.30 0.00 0.31 0.00 0.00 61.69 60.79 1i8n s THR 61 Cb -0.08 -1.94 -0.10 0.00 0.01 0.00 0.00 72.50 70.39 1i8n s THR 61 CO 0.05 0.46 1.42 -0.75 -0.69 0.00 0.00 174.62 175.11 1i8n s LYS 62 N 1.28 4.28 0.49 4.92 2.20 -1.26 -1.20 119.74 130.44 1i8n s LYS 62 Ca 0.03 2.29 0.08 0.00 -0.36 0.00 0.00 55.97 58.01 1i8n s LYS 62 Cb -0.14 -3.11 0.03 0.00 -1.51 0.00 0.00 37.83 33.11 1i8n s LYS 62 CO -0.12 -0.39 0.57 0.95 -0.36 0.00 0.00 175.35 176.01 1i8n s THR 63 N -0.14 2.46 -0.85 3.43 -4.23 -0.45 -4.92 115.64 110.95 1i8n s THR 63 Ca 0.58 -1.15 0.27 0.00 -1.18 0.00 0.00 61.69 60.21 1i8n s THR 63 Cb -0.41 -2.61 0.26 0.00 1.34 0.00 0.00 72.50 71.08 1i8n s THR 63 CO 0.44 0.00 1.83 -1.84 -0.54 0.00 0.00 174.62 174.51 1i8n n GLU 64 N -1.90 0.14 -2.89 3.99 0.28 -1.26 -4.67 120.64 114.33 1i8n n GLU 64 Ca 0.08 0.13 -0.40 0.00 -0.16 0.00 0.00 57.16 56.82 1i8n n GLU 64 Cb 0.61 -1.66 -0.05 0.00 1.43 0.00 0.00 31.44 31.76 1i8n n GLU 64 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 1i8n s PHE 65 N -3.06 3.86 -0.38 -1.84 0.40 -1.26 -4.92 117.98 110.77 1i8n s PHE 65 Ca 0.12 1.69 0.03 0.00 -0.60 0.00 0.00 56.93 58.17 1i8n s PHE 65 Cb 0.15 -2.88 0.05 0.00 0.51 0.00 0.00 43.02 40.85 1i8n s PHE 65 CO 0.54 0.39 0.74 0.25 0.70 0.00 0.00 175.22 177.84 1i8n n THR 66 N 2.10 0.28 -3.90 0.64 -2.24 -1.26 -2.73 114.28 107.17 1i8n n THR 66 Ca -0.03 -0.64 -0.36 0.00 -2.27 0.00 0.00 64.05 60.76 1i8n n THR 66 Cb 0.49 0.91 -0.11 0.00 -2.10 0.00 0.00 70.33 69.51 1i8n n THR 66 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1i8n s SER 67 N -0.49 5.37 0.36 3.42 0.15 -1.26 -4.78 113.70 116.47 1i8n s SER 67 Ca 0.05 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.69 1i8n s SER 67 Cb 0.03 -1.94 0.75 0.00 -1.71 0.00 0.00 66.02 63.15 1i8n s SER 67 CO 0.04 0.06 1.95 0.58 1.20 0.00 0.00 173.24 177.07 1i8n h VAL 68 N 5.23 1.00 -0.28 4.45 2.07 -1.92 0.30 116.25 127.10 1i8n h VAL 68 Ca -0.37 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 66.87 1i8n h VAL 68 Cb 1.18 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1i8n h VAL 68 CO 0.63 0.14 0.09 0.44 0.02 0.00 0.00 177.57 178.88 1i8n h ASP 69 N 0.75 0.41 -0.21 0.57 3.32 -1.99 0.19 116.42 119.47 1i8n h ASP 69 Ca 0.33 -0.21 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 1i8n h ASP 69 Cb 0.32 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.75 1i8n h ASP 69 CO -0.12 0.51 -0.26 -0.33 -1.72 0.00 0.00 179.24 177.32 1i8n h GLU 70 N 0.29 0.69 -0.05 3.56 5.08 -1.82 0.23 114.58 122.56 1i8n h GLU 70 Ca 0.09 -0.29 -0.00 0.00 -1.00 0.00 0.00 59.36 58.16 1i8n h GLU 70 Cb 0.25 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.47 1i8n h GLU 70 CO -0.00 0.88 0.02 0.00 -1.00 0.00 0.00 179.01 178.91 1i8n h ARG 72 N -0.09 0.83 -0.22 0.00 3.08 -0.48 0.57 114.38 118.08 1i8n h ARG 72 Ca 0.02 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.00 1i8n h ARG 72 Cb 0.19 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1i8n h ARG 72 CO -0.00 0.55 0.05 -0.22 -1.07 0.00 0.00 179.97 179.28 1i8n h LYS 73 N 0.86 0.35 -0.41 0.04 1.63 -0.50 -0.36 116.57 118.17 1i8n h LYS 73 Ca 0.25 -0.08 0.02 0.00 -0.85 0.00 0.00 60.65 59.99 1i8n h LYS 73 Cb -0.05 -0.05 -0.03 0.00 -0.60 0.00 0.00 32.23 31.51 1i8n h LYS 73 CO -0.06 0.46 0.23 1.98 -3.45 0.00 0.00 179.45 178.62 1i8n h MET 74 N 0.17 0.46 -0.67 1.90 1.85 -0.24 -1.78 114.93 116.61 1i8n h MET 74 Ca 0.07 -0.03 0.04 0.00 -0.61 0.00 0.00 59.70 59.17 1i8n h MET 74 Cb 0.27 -0.10 -0.05 0.00 0.43 0.00 0.00 31.60 32.15 1i8n h MET 74 CO 0.00 0.30 0.41 0.00 -0.40 0.00 0.00 176.91 177.22 1i8n h GLU 76 N 0.79 0.00 0.00 0.00 5.08 -0.69 -3.24 114.58 116.52 1i8n h GLU 76 Ca 0.28 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.56 1i8n h GLU 76 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1i8n h GLU 76 CO -0.12 0.39 -1.67 0.39 -1.00 0.00 0.00 179.01 176.99 1i8n n GLU 77 N -3.99 0.64 -1.70 2.33 1.02 -0.57 -4.94 120.64 113.44 1i8n n GLU 77 Ca -0.02 -0.01 -0.43 0.00 -0.02 0.00 0.00 57.16 56.69 1i8n n GLU 77 Cb 0.43 -1.66 -0.01 0.00 -0.02 0.00 0.00 31.44 30.18 1i8n n GLU 77 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1i8n n SER 78 N -2.56 2.97 -0.00 1.62 2.88 0.20 -4.85 113.62 113.88 1i8n n SER 78 Ca -0.08 1.18 0.04 0.00 -1.33 0.00 0.00 58.87 58.68 1i8n n SER 78 Cb 0.70 -1.49 -0.05 0.00 -0.75 0.00 0.00 64.21 62.61 1i8n n SER 78 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i8n n ALA 79 N 1.13 2.98 -1.67 -1.46 0.00 -1.26 -4.81 120.51 115.42 1i8n n ALA 79 Ca 0.07 -0.24 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 1i8n n ALA 79 Cb 0.35 -0.32 -0.03 0.00 0.00 0.00 0.00 19.45 19.44 1i8n n ALA 79 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 1i8n n VAL 80 N -1.34 0.66 -3.20 0.00 0.24 -1.26 -4.87 118.33 108.55 1i8n n VAL 80 Ca 0.01 -0.12 -0.38 0.00 -2.04 0.00 0.00 64.34 61.81 1i8n n VAL 80 Cb 0.16 -2.23 -0.06 0.00 -1.47 0.00 0.00 33.84 30.24 1i8n n VAL 80 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1i8n s GLU 81 N 4.03 4.27 0.15 7.34 2.02 -1.26 -3.16 118.70 132.08 1i8n s GLU 81 Ca 0.88 0.82 -0.31 0.00 0.02 0.00 0.00 54.97 56.37 1i8n s GLU 81 Cb -0.47 -3.19 -0.10 0.00 0.10 0.00 0.00 34.13 30.47 1i8n s GLU 81 CO 0.42 0.60 1.64 -1.25 0.02 0.00 0.00 175.26 176.69 1i8n s PRO 82 N -1.25 4.19 0.31 0.39 0.04 -1.26 -5.11 135.00 132.31 1i8n s PRO 82 Ca 0.32 2.42 -0.29 0.00 0.04 0.00 0.00 61.00 63.49 1i8n s PRO 82 Cb -0.20 -3.28 -0.12 0.00 0.04 0.00 0.00 34.50 30.94 1i8n s PRO 82 CO 0.21 -0.68 1.48 0.43 0.04 0.00 0.00 177.00 178.47 1i8n n SER 83 N 4.49 3.43 -4.73 6.66 7.64 -1.19 -4.90 113.62 125.02 1i8n n SER 83 Ca 0.15 1.18 -0.41 0.00 1.01 0.00 0.00 58.87 60.79 1i8n n SER 83 Cb 0.38 -1.55 -0.03 0.00 -1.01 0.00 0.00 64.21 62.00 1i8n n SER 83 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i8n n TYR 85 N 3.05 0.00 -4.38 0.00 0.18 -1.26 -4.85 117.16 109.89 1i8n n TYR 85 Ca 0.05 0.00 -0.22 0.00 1.88 0.00 0.00 57.90 59.61 1i8n n TYR 85 Cb 0.46 0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.27 1i8n n TYR 85 CO 0.00 0.00 0.00 0.42 -2.08 0.00 0.00 176.86 175.20 1i8n s ILE 86 N 0.00 0.83 0.07 -3.48 -1.09 -1.26 -1.02 121.20 115.25 1i8n s ILE 86 Ca 0.00 -0.30 0.10 0.00 -2.23 0.00 0.00 60.65 58.21 1i8n s ILE 86 Cb 0.00 -0.79 -0.03 0.00 -1.58 0.00 0.00 42.46 40.06 1i8n s ILE 86 CO 0.00 0.28 -0.26 -0.76 -1.23 0.00 0.00 174.94 172.97 1i8n s LEU 87 N 0.74 2.22 -0.04 2.97 1.43 0.36 -1.95 118.68 124.40 1i8n s LEU 87 Ca -0.13 -0.64 0.03 0.00 -1.03 0.00 0.00 54.13 52.37 1i8n s LEU 87 Cb -0.15 -1.24 0.00 0.00 0.03 0.00 0.00 46.19 44.84 1i8n s LEU 87 CO 0.02 0.22 -0.13 -1.58 0.23 0.00 0.00 176.35 175.11 1i8n s GLN 88 N -1.50 1.51 -0.08 1.70 0.74 0.23 -1.16 119.66 121.10 1i8n s GLN 88 Ca 0.12 -0.46 0.04 0.00 0.05 0.00 0.00 55.36 55.11 1i8n s GLN 88 Cb -0.10 -1.31 -0.00 0.00 1.10 0.00 0.00 33.01 32.70 1i8n s GLN 88 CO 0.03 0.14 -0.23 0.42 -0.55 0.00 0.00 175.29 175.10 1i8n s ILE 89 N 0.27 1.94 -0.35 -2.34 -1.09 0.10 0.55 121.20 120.29 1i8n s ILE 89 Ca -0.07 -0.97 -0.29 0.00 -2.23 0.00 0.00 60.65 57.09 1i8n s ILE 89 Cb -0.12 -1.67 0.02 0.00 -1.58 0.00 0.00 42.46 39.11 1i8n s ILE 89 CO 0.02 0.54 1.10 0.21 -1.23 0.00 0.00 174.94 175.58 1i8n s ASN 90 N 0.22 6.86 0.00 3.58 3.84 -0.03 -1.87 114.94 127.54 1i8n s ASN 90 Ca -0.14 0.95 0.28 0.00 0.21 0.00 0.00 52.86 54.17 1i8n s ASN 90 Cb -0.16 -2.54 1.70 0.00 -0.55 0.00 0.00 41.25 39.69 1i8n s ASN 90 CO 0.07 -0.96 2.05 0.35 -2.79 0.00 0.00 177.10 175.82 1i8n n THR 91 N 6.07 0.00 -0.01 -5.21 -2.24 0.74 0.61 114.28 114.24 1i8n n THR 91 Ca 0.12 0.00 0.07 0.00 -2.27 0.00 0.00 64.05 61.97 1i8n n THR 91 Cb 0.47 -0.53 -0.11 0.00 -2.10 0.00 0.00 70.33 68.06 1i8n n THR 91 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 1i8n n GLU 92 N -0.98 0.47 0.00 -0.78 0.28 -1.26 -4.53 120.64 113.84 1i8n n GLU 92 Ca 0.21 -0.13 0.04 0.00 -0.16 0.00 0.00 57.16 57.12 1i8n n GLU 92 Cb 0.10 -1.35 -0.05 0.00 1.43 0.00 0.00 31.44 31.57 1i8n n GLU 92 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1i8n n THR 93 N -2.02 0.00 -1.05 3.84 -2.24 -1.14 -4.98 114.28 106.68 1i8n n THR 93 Ca -0.03 -0.29 -0.02 0.00 -2.27 0.00 0.00 64.05 61.44 1i8n n THR 93 Cb 0.40 1.01 -0.01 0.00 -2.10 0.00 0.00 70.33 69.63 1i8n n THR 93 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1i8n n ASN 94 N -1.16 -5.10 -4.75 3.42 3.02 0.20 -4.95 115.26 105.94 1i8n n ASN 94 Ca 0.02 0.05 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1i8n n ASN 94 Cb 0.15 -2.77 -0.03 0.00 -0.61 0.00 0.00 39.78 36.52 1i8n n ASN 94 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1i8n s GLU 95 N -1.66 4.40 -0.14 3.52 2.02 -1.23 -4.21 118.70 121.40 1i8n s GLU 95 Ca 0.00 2.08 -0.02 0.00 0.02 0.00 0.00 54.97 57.05 1i8n s GLU 95 Cb 0.00 -3.16 -0.02 0.00 0.10 0.00 0.00 34.13 31.05 1i8n s GLU 95 CO 0.00 -0.19 -0.09 0.00 0.02 0.00 0.00 175.26 175.00 1i8n s TYR 97 N 0.38 2.42 0.26 0.00 1.51 0.19 -1.34 117.35 120.78 1i8n s TYR 97 Ca -0.08 -0.32 0.10 0.00 -1.01 0.00 0.00 57.07 55.77 1i8n s TYR 97 Cb -0.15 -1.30 -0.05 0.00 -0.11 0.00 0.00 41.96 40.36 1i8n s TYR 97 CO 0.04 0.36 -0.09 -0.98 -1.11 0.00 0.00 175.55 173.77 1i8n s ARG 98 N -2.10 2.02 0.31 -0.62 1.70 -0.34 0.75 118.95 120.67 1i8n s ARG 98 Ca 0.16 -1.54 -0.29 0.00 -0.47 0.00 0.00 55.73 53.59 1i8n s ARG 98 Cb -0.10 -2.00 -0.10 0.00 -0.57 0.00 0.00 34.95 32.17 1i8n s ARG 98 CO 0.08 0.36 1.42 0.54 -1.08 0.00 0.00 175.30 176.62 1i8n s ASN 99 N -3.50 6.60 0.00 -2.89 4.22 -0.82 -0.24 114.94 118.30 1i8n s ASN 99 Ca 0.30 2.79 0.24 0.00 -2.14 0.00 0.00 52.86 54.05 1i8n s ASN 99 Cb -0.06 -2.64 0.21 0.00 1.28 0.00 0.00 41.25 40.03 1i8n s ASN 99 CO 0.17 -0.70 1.26 -0.46 -2.04 0.00 0.00 177.10 175.33 1i8n n ASN 100 N 1.34 2.76 -4.78 3.54 0.23 -0.39 -4.70 115.26 113.26 1i8n n ASN 100 Ca 0.03 -1.89 -0.31 0.00 -0.53 0.00 0.00 54.58 51.88 1i8n n ASN 100 Cb 0.40 0.07 -0.07 0.00 -2.08 0.00 0.00 39.78 38.11 1i8n n ASN 100 CO 0.00 0.00 0.00 -1.61 -0.93 0.00 0.00 177.26 174.72 1i8n s GLU 101 N -2.08 2.96 0.30 -3.83 2.02 -1.26 -4.86 118.70 111.95 1i8n s GLU 101 Ca 0.27 -0.61 0.01 0.00 0.02 0.00 0.00 54.97 54.66 1i8n s GLU 101 Cb 0.20 -2.78 0.47 0.00 0.10 0.00 0.00 34.13 32.12 1i8n s GLU 101 CO 0.35 0.59 1.82 0.78 0.02 0.00 0.00 175.26 178.82 1i8n h GLY 102 N 3.56 0.69 -7.52 -1.39 0.00 -1.90 -3.39 103.07 93.12 1i8n h GLY 102 Ca -0.47 -0.44 -0.59 0.00 0.00 0.00 0.00 47.33 45.83 1i8n h GLY 102 CO 0.65 0.41 -0.78 -0.35 0.00 0.00 0.00 176.54 176.47 1i8n s ASP 103 N -6.70 3.59 0.17 0.19 -1.08 -1.26 -4.88 116.67 106.72 1i8n s ASP 103 Ca -0.08 -1.07 -0.32 0.00 -0.52 0.00 0.00 52.55 50.56 1i8n s ASP 103 Cb 0.15 -1.05 -0.11 0.00 -1.46 0.00 0.00 42.92 40.45 1i8n s ASP 103 CO 0.79 -0.24 1.67 -0.69 0.52 0.00 0.00 175.17 177.22 1i8n s VAL 104 N 1.50 2.37 -1.28 1.11 1.01 -1.26 -4.88 120.40 118.97 1i8n s VAL 104 Ca -0.04 0.21 -0.19 0.00 0.00 0.00 0.00 61.98 61.96 1i8n s VAL 104 Cb -0.18 -3.14 0.03 0.00 0.00 0.00 0.00 36.38 33.09 1i8n s VAL 104 CO -0.07 0.01 1.82 0.41 0.00 0.00 0.00 175.10 177.27 1i8n n THR 105 N 4.12 3.48 0.24 3.92 -1.04 -1.26 -4.73 114.28 119.00 1i8n n THR 105 Ca 0.15 -3.57 0.09 0.00 -2.04 0.00 0.00 64.05 58.68 1i8n n THR 105 Cb 0.37 -2.33 0.41 0.00 -1.82 0.00 0.00 70.33 66.96 1i8n n THR 105 CO 0.00 0.00 0.00 0.79 -0.64 0.00 0.00 175.07 175.22 1i8n n TRP 106 N 9.39 0.52 0.35 -1.42 7.02 -1.26 -1.22 117.44 130.82 1i8n n TRP 106 Ca 0.48 0.24 0.12 0.00 -1.02 0.00 0.00 57.50 57.33 1i8n n TRP 106 Cb 0.45 -0.89 0.52 0.00 -2.42 0.00 0.00 31.31 28.97 1i8n n TRP 106 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1i8n n SER 107 N -2.01 0.67 -1.18 -0.99 3.41 -1.26 -1.72 113.62 110.54 1i8n n SER 107 Ca 0.00 0.69 0.08 0.00 -0.26 0.00 0.00 58.87 59.39 1i8n n SER 107 Cb 0.10 -0.82 0.27 0.00 -0.26 0.00 0.00 64.21 63.49 1i8n n SER 107 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i8n n SER 108 N -2.27 3.43 -4.77 4.04 7.64 -0.35 -4.98 113.62 116.36 1i8n n SER 108 Ca 0.01 -2.16 -0.39 0.00 1.01 0.00 0.00 58.87 57.35 1i8n n SER 108 Cb 0.20 -0.44 -0.04 0.00 -1.01 0.00 0.00 64.21 62.92 1i8n n SER 108 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1i8n s LEU 109 N -1.24 4.38 0.03 -3.43 2.96 -0.70 -4.29 118.68 116.39 1i8n s LEU 109 Ca 0.39 2.26 0.08 0.00 -0.22 0.00 0.00 54.13 56.64 1i8n s LEU 109 Cb 0.23 -3.84 -0.02 0.00 0.50 0.00 0.00 46.19 43.06 1i8n s LEU 109 CO 0.23 -0.35 -0.23 -1.10 -1.32 0.00 0.00 176.35 173.58 1i8n s GLN 110 N -1.88 1.59 0.33 1.98 -0.21 -0.33 -4.99 119.66 116.15 1i8n s GLN 110 Ca 0.50 -0.97 0.03 0.00 0.02 0.00 0.00 55.36 54.95 1i8n s GLN 110 Cb -0.30 -1.70 -0.04 0.00 1.00 0.00 0.00 33.01 31.98 1i8n s GLN 110 CO 0.38 0.44 0.14 1.52 -2.12 0.00 0.00 175.29 175.65 1i8n s TYR 111 N -0.75 1.68 -1.59 0.91 -0.85 -1.26 0.01 117.35 115.50 1i8n s TYR 111 Ca 0.09 -1.31 -0.03 0.00 -0.52 0.00 0.00 57.07 55.31 1i8n s TYR 111 Cb -0.09 -0.97 0.01 0.00 0.38 0.00 0.00 41.96 41.28 1i8n s TYR 111 CO 0.01 -0.41 0.28 -0.25 -1.52 0.00 0.00 175.55 173.66 1i8n n ASP 112 N -0.99 -5.68 -4.89 -0.18 8.00 -0.92 -4.95 116.55 106.95 1i8n n ASP 112 Ca -0.01 -0.13 -0.31 0.00 0.71 0.00 0.00 54.79 55.05 1i8n n ASP 112 Cb 0.65 -4.67 -0.05 0.00 -0.02 0.00 0.00 41.12 37.03 1i8n n ASP 112 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1i8n s GLN 113 N -5.38 3.72 0.43 -1.24 -1.52 0.37 -5.02 119.66 111.03 1i8n s GLN 113 Ca 0.15 0.14 -0.14 0.00 -1.95 0.00 0.00 55.36 53.56 1i8n s GLN 113 Cb -0.07 -2.68 -0.08 0.00 -0.22 0.00 0.00 33.01 29.97 1i8n s GLN 113 CO 0.19 0.31 0.85 -1.25 -0.25 0.00 0.00 175.29 175.13 1i8n s PRO 114 N -3.01 3.90 -1.63 2.91 0.04 -1.26 -4.10 135.00 131.84 1i8n s PRO 114 Ca 0.45 0.71 -0.00 0.00 0.04 0.00 0.00 61.00 62.20 1i8n s PRO 114 Cb -0.11 -2.29 0.00 0.00 0.04 0.00 0.00 34.50 32.14 1i8n s PRO 114 CO 0.24 -0.09 0.03 0.09 0.04 0.00 0.00 177.00 177.31 1i8n n ASN 115 N -1.23 -5.52 -3.78 6.66 3.02 -1.26 -4.96 115.26 108.18 1i8n n ASN 115 Ca 0.04 0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.47 1i8n n ASN 115 Cb 0.54 -4.60 -0.09 0.00 -0.61 0.00 0.00 39.78 35.01 1i8n n ASN 115 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1i8n s VAL 116 N -2.96 0.05 -0.00 2.41 0.11 -1.26 -0.18 120.40 118.56 1i8n s VAL 116 Ca 0.02 -0.43 -0.09 0.00 -2.93 0.00 0.00 61.98 58.55 1i8n s VAL 116 Cb -0.01 -0.55 0.01 0.00 -1.53 0.00 0.00 36.38 34.30 1i8n s VAL 116 CO 0.02 -0.24 0.18 0.54 -3.33 0.00 0.00 175.10 172.27 1i8n s VAL 117 N -1.07 0.08 0.19 2.04 0.11 -0.78 -0.57 120.40 120.39 1i8n s VAL 117 Ca -0.11 -0.63 0.10 0.00 -2.93 0.00 0.00 61.98 58.40 1i8n s VAL 117 Cb -0.05 -0.47 -0.04 0.00 -1.53 0.00 0.00 36.38 34.28 1i8n s VAL 117 CO 0.03 -0.35 -0.15 -1.10 -3.33 0.00 0.00 175.10 170.20 1i8n s GLN 118 N -1.36 1.84 -0.07 1.54 -0.21 0.00 0.02 119.66 121.43 1i8n s GLN 118 Ca -0.14 -1.37 0.03 0.00 0.02 0.00 0.00 55.36 53.89 1i8n s GLN 118 Cb -0.07 -2.03 0.01 0.00 1.00 0.00 0.00 33.01 31.92 1i8n s GLN 118 CO 0.02 0.42 -0.15 -1.58 -2.12 0.00 0.00 175.29 171.89 1i8n s TRP 119 N -1.69 1.66 -0.19 0.91 0.52 -0.30 -0.46 118.94 119.39 1i8n s TRP 119 Ca 0.23 -0.61 -0.01 0.00 0.02 0.00 0.00 56.10 55.73 1i8n s TRP 119 Cb -0.08 -1.18 -0.00 0.00 -1.15 0.00 0.00 33.47 31.06 1i8n s TRP 119 CO 0.13 -0.28 -0.11 -1.01 0.02 0.00 0.00 176.95 175.70 1i8n s HIS 120 N 0.52 2.87 -0.07 -1.98 3.76 0.21 -0.48 115.29 120.10 1i8n s HIS 120 Ca -0.14 -1.12 -0.28 0.00 -0.15 0.00 0.00 55.06 53.38 1i8n s HIS 120 Cb -0.15 -1.99 -0.02 0.00 1.11 0.00 0.00 32.58 31.52 1i8n s HIS 120 CO 0.04 -0.57 0.90 -1.17 -0.85 0.00 0.00 174.74 173.09 1i8n s LEU 121 N 1.20 4.29 -0.03 0.89 2.96 -0.18 -0.94 118.68 126.87 1i8n s LEU 121 Ca 0.02 1.44 0.02 0.00 -0.22 0.00 0.00 54.13 55.39 1i8n s LEU 121 Cb -0.14 -3.40 0.01 0.00 0.50 0.00 0.00 46.19 43.15 1i8n s LEU 121 CO -0.05 -0.30 -0.09 -1.00 -1.32 0.00 0.00 176.35 173.59 1i8n s HIS 122 N 1.43 0.99 0.34 5.38 3.76 0.92 -4.91 115.29 123.21 1i8n s HIS 122 Ca 0.45 -0.27 -0.28 0.00 -0.15 0.00 0.00 55.06 54.81 1i8n s HIS 122 Cb -0.19 -0.73 -0.10 0.00 1.11 0.00 0.00 32.58 32.67 1i8n s HIS 122 CO 0.20 -0.14 1.32 0.00 -0.85 0.00 0.00 174.74 175.27 1i8n s ALA 123 N 0.38 3.48 0.32 -1.40 0.00 -1.26 -0.19 121.76 123.08 1i8n s ALA 123 Ca -0.06 1.28 -0.04 0.00 0.00 0.00 0.00 51.96 53.13 1i8n s ALA 123 Cb -0.11 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.53 1i8n s ALA 123 CO 0.01 -0.69 0.47 0.00 0.00 0.00 0.00 175.76 175.55