#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 -0.13 0.19 2.62 2.01 -1.26 -1.11 115.64 117.96 1i8n s THR 38 Ca 0.00 0.28 0.04 0.00 0.31 0.00 0.00 61.69 62.32 1i8n s THR 38 Cb 0.00 -0.22 -0.05 0.00 0.01 0.00 0.00 72.50 72.24 1i8n s THR 38 CO 0.00 0.12 -0.07 0.27 -0.69 0.00 0.00 174.62 174.25 1i8n s ILE 39 N 1.66 1.18 0.03 1.82 -4.36 0.57 -4.92 121.20 117.18 1i8n s ILE 39 Ca -0.03 -2.07 -0.22 0.00 -0.26 0.00 0.00 60.65 58.07 1i8n s ILE 39 Cb -0.12 -2.06 0.05 0.00 1.25 0.00 0.00 42.46 41.58 1i8n s ILE 39 CO -0.05 -0.57 0.50 0.28 0.24 0.00 0.00 174.94 175.34 1i8n s THR 40 N -3.32 0.03 -1.07 8.37 -1.32 -1.26 -0.02 115.64 117.05 1i8n s THR 40 Ca 0.22 -0.28 0.15 0.00 -1.21 0.00 0.00 61.69 60.57 1i8n s THR 40 Cb 0.03 -0.95 0.65 0.00 -1.51 0.00 0.00 72.50 70.73 1i8n s THR 40 CO 0.04 -0.15 1.54 0.00 -2.21 0.00 0.00 174.62 173.84 1i8n n ALA 41 N 0.52 3.14 -1.70 11.08 0.00 -1.26 -4.92 120.51 127.37 1i8n n ALA 41 Ca -0.19 -1.43 -0.14 0.00 0.00 0.00 0.00 53.44 51.68 1i8n n ALA 41 Cb 0.60 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.96 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 0.97 0.93 0.93 0.00 0.00 -1.26 -4.90 105.19 101.85 1i8n n GLY 42 Ca 0.23 -0.32 0.08 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.48 3.71 0.00 1.61 6.94 -1.26 -4.94 115.26 120.84 1i8n n ASN 43 Ca -0.15 -2.56 0.00 0.00 -0.02 0.00 0.00 54.58 51.84 1i8n n ASN 43 Cb 0.53 -0.44 0.00 0.00 -2.36 0.00 0.00 39.78 37.51 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 0.13 0.00 -3.88 -3.83 0.00 -1.26 -5.02 120.64 106.78 1i8n n GLU 44 Ca 0.19 0.00 -0.35 0.00 0.00 0.00 0.00 57.16 56.99 1i8n n GLU 44 Cb 0.73 -1.29 -0.13 0.00 0.00 0.00 0.00 31.44 30.74 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 -3.02 4.57 0.09 -1.84 1.01 -1.26 0.71 116.67 116.94 1i8n s ASP 45 Ca 0.00 -0.32 0.07 0.00 0.71 0.00 0.00 52.55 53.01 1i8n s ASP 45 Cb 0.00 -1.80 -0.04 0.00 1.01 0.00 0.00 42.92 42.09 1i8n s ASP 45 CO 0.00 -0.02 -0.12 0.00 0.21 0.00 0.00 175.17 175.24 1i8n s TRP 47 N -1.15 1.91 0.15 0.00 0.52 0.97 -0.36 118.94 120.98 1i8n s TRP 47 Ca 0.20 -0.71 0.10 0.00 0.02 0.00 0.00 56.10 55.71 1i8n s TRP 47 Cb -0.11 -1.32 -0.04 0.00 -1.15 0.00 0.00 33.47 30.85 1i8n s TRP 47 CO 0.12 -0.31 -0.24 -1.54 0.02 0.00 0.00 176.95 175.00 1i8n s SER 48 N 0.43 3.14 -0.06 2.95 1.04 -0.16 -0.32 113.70 120.73 1i8n s SER 48 Ca -0.14 -0.80 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1i8n s SER 48 Cb -0.16 -0.21 -0.04 0.00 0.10 0.00 0.00 66.02 65.71 1i8n s SER 48 CO 0.05 0.11 0.09 -0.75 0.98 0.00 0.00 173.24 173.72 1i8n s LYS 49 N -2.37 3.18 -0.39 4.02 2.20 -0.27 0.29 119.74 126.40 1i8n s LYS 49 Ca 0.16 -0.35 0.01 0.00 -0.36 0.00 0.00 55.97 55.42 1i8n s LYS 49 Cb -0.09 -2.95 0.13 0.00 -1.51 0.00 0.00 37.83 33.41 1i8n s LYS 49 CO 0.07 0.70 0.20 1.03 -0.36 0.00 0.00 175.35 177.00 1i8n s ARG 50 N -1.35 0.96 0.33 4.03 1.81 0.46 -4.46 118.95 120.73 1i8n s ARG 50 Ca 0.19 -1.63 -0.29 0.00 -1.72 0.00 0.00 55.73 52.28 1i8n s ARG 50 Cb -0.12 -1.97 -0.10 0.00 -0.45 0.00 0.00 34.95 32.31 1i8n s ARG 50 CO 0.09 -1.14 1.36 -2.14 -0.68 0.00 0.00 175.30 172.78 1i8n s PRO 51 N 0.80 4.30 0.00 3.54 0.02 -1.26 -0.46 135.00 141.93 1i8n s PRO 51 Ca 0.16 2.29 0.00 0.00 0.02 0.00 0.00 61.00 63.47 1i8n s PRO 51 Cb -0.23 -3.06 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1i8n s PRO 51 CO -0.04 -0.28 0.00 0.41 -0.33 0.00 0.00 177.00 176.76 1i8n n GLY 52 N 0.94 1.19 3.71 0.52 0.00 0.14 -4.63 105.19 107.05 1i8n n GLY 52 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.86 3.61 -0.17 1.61 0.52 -1.18 -0.36 118.94 119.11 1i8n s TRP 53 Ca 0.00 1.45 -0.04 0.00 0.02 0.00 0.00 56.10 57.53 1i8n s TRP 53 Cb 0.00 -2.94 0.06 0.00 -1.15 0.00 0.00 33.47 29.43 1i8n s TRP 53 CO 0.00 0.04 0.07 0.21 0.02 0.00 0.00 176.95 177.30 1i8n s LYS 54 N 0.89 0.23 0.54 4.98 2.20 0.75 -4.35 119.74 124.99 1i8n s LYS 54 Ca 0.44 -0.16 -0.11 0.00 -0.36 0.00 0.00 55.97 55.78 1i8n s LYS 54 Cb -0.19 -1.87 -0.05 0.00 -1.51 0.00 0.00 37.83 34.21 1i8n s LYS 54 CO 0.23 -0.65 0.94 -0.51 -0.36 0.00 0.00 175.35 175.00 1i8n s LEU 55 N 2.06 3.46 0.58 5.43 1.43 -1.26 -1.97 118.68 128.41 1i8n s LEU 55 Ca 0.01 1.32 -0.16 0.00 -1.03 0.00 0.00 54.13 54.28 1i8n s LEU 55 Cb -0.16 -4.31 -0.05 0.00 0.03 0.00 0.00 46.19 41.70 1i8n s LEU 55 CO -0.09 -0.70 1.05 -2.16 0.23 0.00 0.00 176.35 174.68 1i8n s PRO 56 N -4.70 3.43 0.45 1.29 0.04 -1.26 -4.96 135.00 129.30 1i8n s PRO 56 Ca 0.54 1.18 0.17 0.00 0.04 0.00 0.00 61.00 62.92 1i8n s PRO 56 Cb -0.11 -2.05 1.11 0.00 0.04 0.00 0.00 34.50 33.50 1i8n s PRO 56 CO 0.45 -0.71 1.97 -0.44 0.04 0.00 0.00 177.00 178.30 1i8n h ASP 57 N 0.57 0.30 0.48 6.66 3.32 -1.96 -0.68 116.42 125.11 1i8n h ASP 57 Ca -0.47 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.59 1i8n h ASP 57 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1i8n h ASP 57 CO 0.58 0.17 0.00 -0.46 -1.72 0.00 0.00 179.24 177.81 1i8n n ASN 58 N -4.46 0.05 -1.39 6.45 6.94 -1.26 -1.58 115.26 120.01 1i8n n ASN 58 Ca 0.11 0.51 0.11 0.00 -0.02 0.00 0.00 54.58 55.29 1i8n n ASN 58 Cb 0.46 -0.52 0.33 0.00 -2.36 0.00 0.00 39.78 37.68 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 -1.56 4.15 -4.20 -4.53 4.77 -0.26 -4.93 117.00 110.44 1i8n n LEU 59 Ca 0.03 -2.13 -0.17 0.00 -0.03 0.00 0.00 56.01 53.71 1i8n n LEU 59 Cb 0.16 -0.51 -0.11 0.00 -2.33 0.00 0.00 43.42 40.63 1i8n n LEU 59 CO 0.13 0.93 -0.44 -0.76 -1.33 0.00 0.00 177.39 175.92 1i8n s LEU 60 N -1.24 2.35 -0.20 2.23 1.43 -0.62 -1.51 118.68 121.13 1i8n s LEU 60 Ca 0.49 -0.73 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 1i8n s LEU 60 Cb 0.27 -0.47 0.03 0.00 0.03 0.00 0.00 46.19 46.05 1i8n s LEU 60 CO 0.30 -0.15 -0.18 -0.89 0.23 0.00 0.00 176.35 175.66 1i8n s THR 61 N -1.88 2.08 0.23 5.49 2.01 0.90 -4.73 115.64 119.74 1i8n s THR 61 Ca 0.04 -1.09 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 1i8n s THR 61 Cb -0.06 -1.95 -0.10 0.00 0.01 0.00 0.00 72.50 70.40 1i8n s THR 61 CO 0.02 0.42 1.50 -0.75 -0.69 0.00 0.00 174.62 175.12 1i8n s LYS 62 N 1.25 4.23 0.49 4.92 2.20 -1.26 -1.21 119.74 130.37 1i8n s LYS 62 Ca 0.02 2.35 0.09 0.00 -0.36 0.00 0.00 55.97 58.07 1i8n s LYS 62 Cb -0.14 -3.11 0.04 0.00 -1.51 0.00 0.00 37.83 33.11 1i8n s LYS 62 CO -0.11 -0.50 0.66 0.95 -0.36 0.00 0.00 175.35 175.98 1i8n s THR 63 N 0.35 2.55 -1.36 3.43 -4.23 -0.20 -4.92 115.64 111.26 1i8n s THR 63 Ca 0.63 -1.03 0.30 0.00 -1.18 0.00 0.00 61.69 60.40 1i8n s THR 63 Cb -0.43 -2.58 0.44 0.00 1.34 0.00 0.00 72.50 71.27 1i8n s THR 63 CO 0.40 0.00 1.98 -1.84 -0.54 0.00 0.00 174.62 174.62 1i8n n GLU 64 N -2.01 0.37 -3.13 3.99 0.28 -1.26 -4.68 120.64 114.20 1i8n n GLU 64 Ca 0.11 -0.04 -0.39 0.00 -0.16 0.00 0.00 57.16 56.68 1i8n n GLU 64 Cb 0.60 -1.50 -0.06 0.00 1.43 0.00 0.00 31.44 31.92 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 -2.66 3.83 -0.24 -1.84 0.40 -1.26 -4.92 117.98 111.29 1i8n s PHE 65 Ca 0.25 1.42 0.02 0.00 -0.60 0.00 0.00 56.93 58.02 1i8n s PHE 65 Cb 0.20 -2.64 0.03 0.00 0.51 0.00 0.00 43.02 41.12 1i8n s PHE 65 CO 0.49 0.51 0.73 0.25 0.70 0.00 0.00 175.22 177.89 1i8n n THR 66 N 1.88 0.33 -3.84 0.64 -2.24 -1.26 -2.74 114.28 107.05 1i8n n THR 66 Ca -0.07 -0.67 -0.36 0.00 -2.27 0.00 0.00 64.05 60.68 1i8n n THR 66 Cb 0.50 0.86 -0.11 0.00 -2.10 0.00 0.00 70.33 69.48 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 -0.45 5.42 0.36 3.42 0.15 -1.26 -4.79 113.70 116.54 1i8n s SER 67 Ca 0.03 -0.08 0.05 0.00 0.70 0.00 0.00 55.95 56.66 1i8n s SER 67 Cb 0.02 -1.96 0.72 0.00 -1.71 0.00 0.00 66.02 63.09 1i8n s SER 67 CO 0.03 0.04 1.95 0.58 1.20 0.00 0.00 173.24 177.04 1i8n h VAL 68 N 5.28 1.02 -0.27 4.45 2.07 -1.92 0.81 116.25 127.70 1i8n h VAL 68 Ca -0.37 -0.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1i8n h VAL 68 Cb 1.18 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.11 1i8n h VAL 68 CO 0.62 0.14 0.07 0.44 0.02 0.00 0.00 177.57 178.86 1i8n h ASP 69 N 0.78 0.40 -0.32 0.57 3.32 -1.99 0.99 116.42 120.18 1i8n h ASP 69 Ca 0.32 -0.22 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1i8n h ASP 69 Cb 0.26 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 39.69 1i8n h ASP 69 CO -0.11 0.52 -0.18 -0.33 -1.72 0.00 0.00 179.24 177.42 1i8n h GLU 70 N 0.27 0.79 0.03 3.56 5.08 -1.83 0.26 114.58 122.73 1i8n h GLU 70 Ca 0.09 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 1i8n h GLU 70 Cb 0.27 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.47 1i8n h GLU 70 CO -0.00 0.91 -0.01 0.00 -1.00 0.00 0.00 179.01 178.91 1i8n h ARG 72 N -0.17 1.05 -0.45 0.00 3.08 -0.63 -0.15 114.38 117.12 1i8n h ARG 72 Ca -0.00 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 1i8n h ARG 72 Cb 0.15 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 1i8n h ARG 72 CO 0.01 0.70 0.18 -0.22 -1.07 0.00 0.00 179.97 179.57 1i8n h LYS 73 N 1.09 0.67 -0.14 0.04 1.63 -0.59 0.60 116.57 119.86 1i8n h LYS 73 Ca 0.40 -0.12 -0.00 0.00 -0.85 0.00 0.00 60.65 60.08 1i8n h LYS 73 Cb 0.18 -0.11 -0.01 0.00 -0.60 0.00 0.00 32.23 31.69 1i8n h LYS 73 CO -0.15 0.60 0.08 1.98 -3.45 0.00 0.00 179.45 178.51 1i8n h MET 74 N 0.58 0.19 -0.54 1.90 1.85 -0.09 -1.79 114.93 117.04 1i8n h MET 74 Ca 0.15 -0.02 0.06 0.00 -0.61 0.00 0.00 59.70 59.28 1i8n h MET 74 Cb 0.18 -0.04 -0.06 0.00 0.43 0.00 0.00 31.60 32.12 1i8n h MET 74 CO -0.01 0.19 0.24 0.00 -0.40 0.00 0.00 176.91 176.92 1i8n h GLU 76 N 0.45 0.57 0.00 0.00 5.08 -0.61 -3.20 114.58 116.86 1i8n h GLU 76 Ca 0.25 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.45 1i8n h GLU 76 Cb 0.23 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 1i8n h GLU 76 CO -0.22 0.57 -1.24 0.39 -1.00 0.00 0.00 179.01 177.52 1i8n n GLU 77 N -4.28 0.62 -1.70 2.33 1.02 -0.45 -4.93 120.64 113.24 1i8n n GLU 77 Ca 0.02 0.11 -0.43 0.00 -0.02 0.00 0.00 57.16 56.84 1i8n n GLU 77 Cb 0.24 -1.79 -0.02 0.00 -0.02 0.00 0.00 31.44 29.85 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 -2.69 3.17 -0.36 1.62 2.88 0.20 -4.86 113.62 113.58 1i8n n SER 78 Ca -0.03 1.15 0.08 0.00 -1.33 0.00 0.00 58.87 58.74 1i8n n SER 78 Cb 0.64 -1.50 0.18 0.00 -0.75 0.00 0.00 64.21 62.77 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 1.74 2.98 -2.62 -1.46 0.00 -1.26 -4.80 120.51 115.09 1i8n n ALA 79 Ca 0.09 -2.96 -0.44 0.00 0.00 0.00 0.00 53.44 50.14 1i8n n ALA 79 Cb 0.34 -0.38 -0.09 0.00 0.00 0.00 0.00 19.45 19.32 1i8n n ALA 79 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1i8n s VAL 80 N -3.06 5.21 0.22 0.00 -7.23 -1.26 -5.04 120.40 109.25 1i8n s VAL 80 Ca 0.35 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.46 1i8n s VAL 80 Cb 0.33 -4.03 -0.08 0.00 0.56 0.00 0.00 36.38 33.15 1i8n s VAL 80 CO -0.02 -0.44 1.01 -1.61 -0.31 0.00 0.00 175.10 173.74 1i8n s GLU 81 N 1.76 4.73 -0.20 4.82 2.02 -1.26 -3.38 118.70 127.19 1i8n s GLU 81 Ca 0.06 1.61 -0.34 0.00 0.02 0.00 0.00 54.97 56.31 1i8n s GLU 81 Cb -0.21 -3.27 -0.11 0.00 0.10 0.00 0.00 34.13 30.64 1i8n s GLU 81 CO 0.09 0.31 1.99 -0.35 0.02 0.00 0.00 175.26 177.33 1i8n n PRO 82 N 1.76 1.73 -1.71 0.39 -0.04 -1.26 -5.11 135.00 130.76 1i8n n PRO 82 Ca -0.00 0.58 -0.42 0.00 -0.04 0.00 0.00 63.50 63.62 1i8n n PRO 82 Cb 0.47 -2.60 -0.00 0.00 -0.04 0.00 0.00 33.50 31.32 1i8n n PRO 82 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1i8n n SER 83 N 7.98 2.85 -4.71 3.54 7.64 -1.22 -4.91 113.62 124.80 1i8n n SER 83 Ca 0.29 1.19 -0.42 0.00 1.01 0.00 0.00 58.87 60.94 1i8n n SER 83 Cb 0.27 -1.51 -0.03 0.00 -1.01 0.00 0.00 64.21 61.94 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 3.76 0.00 -4.33 0.00 0.18 -1.26 -4.85 117.16 110.66 1i8n n TYR 85 Ca 0.07 0.00 -0.21 0.00 1.88 0.00 0.00 57.90 59.64 1i8n n TYR 85 Cb 0.49 0.01 -0.16 0.00 -0.38 0.00 0.00 39.34 39.30 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 0.74 0.05 -3.48 -1.09 -1.26 -1.09 121.20 115.07 1i8n s ILE 86 Ca 0.00 -0.28 0.08 0.00 -2.23 0.00 0.00 60.65 58.23 1i8n s ILE 86 Cb 0.00 -0.70 -0.03 0.00 -1.58 0.00 0.00 42.46 40.15 1i8n s ILE 86 CO 0.00 0.25 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.98 1i8n s LEU 87 N 0.60 2.19 -0.05 2.97 1.43 0.43 -1.87 118.68 124.37 1i8n s LEU 87 Ca -0.09 -0.57 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 1i8n s LEU 87 Cb -0.13 -1.08 0.01 0.00 0.03 0.00 0.00 46.19 45.02 1i8n s LEU 87 CO 0.01 0.18 -0.13 -1.58 0.23 0.00 0.00 176.35 175.07 1i8n s GLN 88 N -1.31 1.59 -0.11 1.70 0.74 0.23 -0.53 119.66 121.97 1i8n s GLN 88 Ca 0.09 -0.43 0.03 0.00 0.05 0.00 0.00 55.36 55.10 1i8n s GLN 88 Cb -0.09 -1.35 -0.00 0.00 1.10 0.00 0.00 33.01 32.66 1i8n s GLN 88 CO 0.02 0.08 -0.21 0.42 -0.55 0.00 0.00 175.29 175.06 1i8n s ILE 89 N 0.46 2.34 -0.23 -2.34 -1.09 0.14 -0.05 121.20 120.44 1i8n s ILE 89 Ca -0.11 -0.91 -0.29 0.00 -2.23 0.00 0.00 60.65 57.11 1i8n s ILE 89 Cb -0.14 -1.93 -0.00 0.00 -1.58 0.00 0.00 42.46 38.81 1i8n s ILE 89 CO 0.03 0.55 1.25 0.21 -1.23 0.00 0.00 174.94 175.75 1i8n s ASN 90 N 0.39 6.85 0.00 3.58 3.84 0.31 -1.79 114.94 128.12 1i8n s ASN 90 Ca -0.16 1.43 0.26 0.00 0.21 0.00 0.00 52.86 54.61 1i8n s ASN 90 Cb -0.17 -2.54 1.51 0.00 -0.55 0.00 0.00 41.25 39.49 1i8n s ASN 90 CO 0.07 -0.89 1.98 0.35 -2.79 0.00 0.00 177.10 175.82 1i8n n THR 91 N 5.74 0.01 -0.01 -5.21 -2.24 0.02 0.20 114.28 112.79 1i8n n THR 91 Ca 0.14 -0.04 0.07 0.00 -2.27 0.00 0.00 64.05 61.95 1i8n n THR 91 Cb 0.46 -0.30 -0.11 0.00 -2.10 0.00 0.00 70.33 68.27 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 -0.76 0.53 -0.00 -0.78 0.28 -1.26 -4.52 120.64 114.12 1i8n n GLU 92 Ca 0.20 -0.13 0.05 0.00 -0.16 0.00 0.00 57.16 57.12 1i8n n GLU 92 Cb 0.13 -1.35 -0.06 0.00 1.43 0.00 0.00 31.44 31.58 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 -2.05 0.00 -1.05 3.84 -2.24 -1.19 -4.98 114.28 106.63 1i8n n THR 93 Ca -0.04 -0.25 -0.02 0.00 -2.27 0.00 0.00 64.05 61.47 1i8n n THR 93 Cb 0.42 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 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 -1.30 -4.94 -4.75 3.42 3.02 0.13 -4.96 115.26 105.88 1i8n n ASN 94 Ca 0.02 0.04 -0.41 0.00 -0.03 0.00 0.00 54.58 54.20 1i8n n ASN 94 Cb 0.17 -2.59 -0.03 0.00 -0.61 0.00 0.00 39.78 36.73 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 -1.54 4.38 -0.15 3.52 2.02 -1.23 -4.21 118.70 121.49 1i8n s GLU 95 Ca 0.00 2.13 -0.01 0.00 0.02 0.00 0.00 54.97 57.11 1i8n s GLU 95 Cb 0.00 -3.13 -0.01 0.00 0.10 0.00 0.00 34.13 31.09 1i8n s GLU 95 CO 0.00 -0.21 -0.12 0.00 0.02 0.00 0.00 175.26 174.95 1i8n s TYR 97 N 0.60 2.41 0.23 0.00 1.51 0.93 -1.03 117.35 122.00 1i8n s TYR 97 Ca -0.07 -0.33 0.11 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 40.35 1i8n s TYR 97 CO 0.03 0.35 -0.15 -0.98 -1.11 0.00 0.00 175.55 173.69 1i8n s ARG 98 N -2.05 1.85 0.24 -0.62 1.70 -0.35 0.78 118.95 120.51 1i8n s ARG 98 Ca 0.16 -1.51 -0.31 0.00 -0.47 0.00 0.00 55.73 53.60 1i8n s ARG 98 Cb -0.10 -1.97 -0.11 0.00 -0.57 0.00 0.00 34.95 32.20 1i8n s ARG 98 CO 0.08 0.38 1.60 0.54 -1.08 0.00 0.00 175.30 176.82 1i8n s ASN 99 N -3.14 6.45 0.00 -2.89 4.22 -0.78 -0.07 114.94 118.73 1i8n s ASN 99 Ca 0.26 2.83 0.25 0.00 -2.14 0.00 0.00 52.86 54.06 1i8n s ASN 99 Cb -0.07 -2.62 0.45 0.00 1.28 0.00 0.00 41.25 40.30 1i8n s ASN 99 CO 0.15 -0.89 1.41 -0.46 -2.04 0.00 0.00 177.10 175.27 1i8n n ASN 100 N 2.98 2.65 -4.75 3.54 0.23 -0.57 -4.69 115.26 114.65 1i8n n ASN 100 Ca 0.11 -1.87 -0.31 0.00 -0.53 0.00 0.00 54.58 51.98 1i8n n ASN 100 Cb 0.37 -0.04 -0.07 0.00 -2.08 0.00 0.00 39.78 37.96 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 -1.91 2.85 0.33 -3.83 2.02 -1.26 -4.86 118.70 112.04 1i8n s GLU 101 Ca 0.32 -0.66 0.04 0.00 0.02 0.00 0.00 54.97 54.70 1i8n s GLU 101 Cb 0.20 -2.72 0.57 0.00 0.10 0.00 0.00 34.13 32.29 1i8n s GLU 101 CO 0.31 0.59 1.84 0.78 0.02 0.00 0.00 175.26 178.79 1i8n h GLY 102 N 3.66 0.52 -7.31 -1.39 0.00 -1.91 -3.39 103.07 93.25 1i8n h GLY 102 Ca -0.48 -0.34 -0.55 0.00 0.00 0.00 0.00 47.33 45.97 1i8n h GLY 102 CO 0.63 0.31 -0.78 -0.35 0.00 0.00 0.00 176.54 176.35 1i8n s ASP 103 N -6.77 3.09 0.18 0.19 -1.08 -1.26 -4.86 116.67 106.16 1i8n s ASP 103 Ca -0.07 -0.85 -0.31 0.00 -0.52 0.00 0.00 52.55 50.79 1i8n s ASP 103 Cb 0.15 -0.81 -0.10 0.00 -1.46 0.00 0.00 42.92 40.69 1i8n s ASP 103 CO 0.77 -0.26 1.58 -0.69 0.52 0.00 0.00 175.17 177.09 1i8n s VAL 104 N 1.69 2.53 -1.29 1.11 1.01 -1.26 -4.88 120.40 119.32 1i8n s VAL 104 Ca -0.02 0.39 -0.19 0.00 0.00 0.00 0.00 61.98 62.17 1i8n s VAL 104 Cb -0.17 -3.25 0.05 0.00 0.00 0.00 0.00 36.38 33.01 1i8n s VAL 104 CO -0.07 0.03 1.77 0.41 0.00 0.00 0.00 175.10 177.24 1i8n n THR 105 N 3.79 3.69 0.22 3.92 -1.04 -1.26 -4.75 114.28 118.85 1i8n n THR 105 Ca 0.13 -3.83 0.07 0.00 -2.04 0.00 0.00 64.05 58.38 1i8n n THR 105 Cb 0.38 -2.33 0.33 0.00 -1.82 0.00 0.00 70.33 66.90 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 9.15 0.38 0.31 -1.42 7.02 -1.26 -1.45 117.44 130.18 1i8n n TRP 106 Ca 0.48 0.18 0.16 0.00 -1.02 0.00 0.00 57.50 57.31 1i8n n TRP 106 Cb 0.46 -0.79 0.68 0.00 -2.42 0.00 0.00 31.31 29.25 1i8n n TRP 106 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1i8n h SER 107 N 0.00 0.00 -0.36 -0.99 4.64 -2.02 -2.09 113.55 112.73 1i8n h SER 107 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i8n h SER 107 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 1i8n h SER 107 CO 0.00 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.76 1i8n n SER 108 N -2.87 2.13 -4.76 4.97 7.64 -0.53 -4.96 113.62 115.24 1i8n n SER 108 Ca 0.01 -1.94 -0.40 0.00 1.01 0.00 0.00 58.87 57.55 1i8n n SER 108 Cb 0.26 -0.24 -0.04 0.00 -1.01 0.00 0.00 64.21 63.19 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 -1.14 4.52 -0.01 -3.43 2.96 -0.79 -4.35 118.68 116.44 1i8n s LEU 109 Ca 0.29 2.36 0.08 0.00 -0.22 0.00 0.00 54.13 56.64 1i8n s LEU 109 Cb 0.15 -3.64 -0.02 0.00 0.50 0.00 0.00 46.19 43.19 1i8n s LEU 109 CO 0.21 -0.23 -0.24 -1.10 -1.32 0.00 0.00 176.35 173.67 1i8n s GLN 110 N -1.53 1.95 0.39 1.98 -0.21 -0.83 -5.00 119.66 116.41 1i8n s GLN 110 Ca 0.45 -0.89 0.01 0.00 0.02 0.00 0.00 55.36 54.96 1i8n s GLN 110 Cb -0.34 -1.91 -0.00 0.00 1.00 0.00 0.00 33.01 31.76 1i8n s GLN 110 CO 0.44 0.52 0.04 2.48 -2.12 0.00 0.00 175.29 176.65 1i8n n TYR 111 N 2.42 0.69 -3.45 0.91 0.18 -1.26 -0.18 117.16 116.47 1i8n n TYR 111 Ca -0.16 -2.09 -0.24 0.00 1.88 0.00 0.00 57.90 57.29 1i8n n TYR 111 Cb 0.52 -0.19 -0.01 0.00 -0.38 0.00 0.00 39.34 39.28 1i8n n TYR 111 CO 0.00 0.00 0.00 -0.25 -2.08 0.00 0.00 176.86 174.53 1i8n n ASP 112 N -1.37 -3.23 -4.90 9.48 8.00 -1.00 -4.90 116.55 118.62 1i8n n ASP 112 Ca -0.13 -0.43 -0.29 0.00 0.71 0.00 0.00 54.79 54.65 1i8n n ASP 112 Cb 0.52 -2.70 -0.04 0.00 -0.02 0.00 0.00 41.12 38.89 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 -6.10 3.63 0.42 -1.24 -1.52 0.51 -5.02 119.66 110.35 1i8n s GLN 113 Ca 0.43 -0.03 -0.13 0.00 -1.95 0.00 0.00 55.36 53.68 1i8n s GLN 113 Cb -0.23 -2.69 -0.07 0.00 -0.22 0.00 0.00 33.01 29.79 1i8n s GLN 113 CO 0.52 0.28 0.83 -1.25 -0.25 0.00 0.00 175.29 175.42 1i8n s PRO 114 N -3.36 3.87 -1.50 2.91 0.04 -1.26 -4.10 135.00 131.61 1i8n s PRO 114 Ca 0.43 0.65 -0.04 0.00 0.04 0.00 0.00 61.00 62.08 1i8n s PRO 114 Cb -0.11 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.12 1i8n s PRO 114 CO 0.28 -0.07 0.40 0.09 0.04 0.00 0.00 177.00 177.75 1i8n n ASN 115 N -1.21 -5.41 -3.76 6.66 3.02 -1.26 -4.96 115.26 108.33 1i8n n ASN 115 Ca 0.04 -0.20 -0.13 0.00 -0.03 0.00 0.00 54.58 54.26 1i8n n ASN 115 Cb 0.54 -4.43 -0.09 0.00 -0.61 0.00 0.00 39.78 35.18 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 -3.05 0.04 -0.01 2.41 0.11 -1.26 -0.80 120.40 117.84 1i8n s VAL 116 Ca 0.23 -0.32 -0.08 0.00 -2.93 0.00 0.00 61.98 58.88 1i8n s VAL 116 Cb -0.11 -0.57 0.01 0.00 -1.53 0.00 0.00 36.38 34.18 1i8n s VAL 116 CO 0.28 -0.18 0.15 0.54 -3.33 0.00 0.00 175.10 172.57 1i8n s VAL 117 N -0.84 0.07 0.11 2.04 0.11 -0.74 -0.69 120.40 120.47 1i8n s VAL 117 Ca -0.09 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 1i8n s VAL 117 Cb -0.04 -0.42 -0.04 0.00 -1.53 0.00 0.00 36.38 34.35 1i8n s VAL 117 CO 0.03 -0.31 -0.18 -1.10 -3.33 0.00 0.00 175.10 170.21 1i8n s GLN 118 N -1.15 1.82 -0.06 1.54 -0.21 0.39 0.28 119.66 122.27 1i8n s GLN 118 Ca -0.12 -1.16 0.05 0.00 0.02 0.00 0.00 55.36 54.15 1i8n s GLN 118 Cb -0.06 -2.13 -0.00 0.00 1.00 0.00 0.00 33.01 31.81 1i8n s GLN 118 CO 0.02 0.49 -0.21 -1.58 -2.12 0.00 0.00 175.29 171.89 1i8n s TRP 119 N -1.13 2.08 -0.19 0.91 0.52 0.31 -0.41 118.94 121.03 1i8n s TRP 119 Ca 0.18 -0.67 -0.01 0.00 0.02 0.00 0.00 56.10 55.62 1i8n s TRP 119 Cb -0.11 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 30.83 1i8n s TRP 119 CO 0.10 -0.23 -0.14 -1.01 0.02 0.00 0.00 176.95 175.69 1i8n s HIS 120 N 0.07 2.84 -0.01 -1.98 3.76 0.15 -0.43 115.29 119.68 1i8n s HIS 120 Ca -0.07 -1.33 -0.29 0.00 -0.15 0.00 0.00 55.06 53.22 1i8n s HIS 120 Cb -0.14 -1.98 -0.03 0.00 1.11 0.00 0.00 32.58 31.54 1i8n s HIS 120 CO 0.04 -0.68 0.94 -1.17 -0.85 0.00 0.00 174.74 173.01 1i8n s LEU 121 N 1.31 4.36 -0.01 0.89 2.96 -0.25 -0.99 118.68 126.95 1i8n s LEU 121 Ca 0.04 1.58 0.02 0.00 -0.22 0.00 0.00 54.13 55.55 1i8n s LEU 121 Cb -0.14 -3.49 0.00 0.00 0.50 0.00 0.00 46.19 43.06 1i8n s LEU 121 CO -0.08 -0.24 -0.06 -1.00 -1.32 0.00 0.00 176.35 173.64 1i8n s HIS 122 N 1.01 0.63 0.32 5.38 3.76 0.52 -4.90 115.29 122.00 1i8n s HIS 122 Ca 0.50 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.99 1i8n s HIS 122 Cb -0.20 -0.44 -0.10 0.00 1.11 0.00 0.00 32.58 32.95 1i8n s HIS 122 CO 0.26 -0.05 1.24 0.00 -0.85 0.00 0.00 174.74 175.34 1i8n s ALA 123 N 0.06 3.45 0.32 -1.40 0.00 -1.26 -0.22 121.76 122.71 1i8n s ALA 123 Ca -0.00 1.14 -0.03 0.00 0.00 0.00 0.00 51.96 53.07 1i8n s ALA 123 Cb -0.05 -3.43 -0.00 0.00 0.00 0.00 0.00 23.12 19.64 1i8n s ALA 123 CO -0.00 -0.50 0.43 0.00 0.00 0.00 0.00 175.76 175.70