#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cyn s ASN 37 N 0.00 3.14 0.31 1.62 3.84 -1.26 -5.01 114.94 117.57 3cyn s ASN 37 Ca 0.00 -0.55 0.08 0.00 0.21 0.00 0.00 52.86 52.59 3cyn s ASN 37 Cb 0.00 -1.42 0.87 0.00 -0.55 0.00 0.00 41.25 40.15 3cyn s ASN 37 CO 0.00 0.15 1.67 0.25 -2.79 0.00 0.00 177.10 176.38 3cyn h LEU 38 N 6.78 0.29 -1.82 3.21 5.85 -2.08 -0.53 115.31 127.02 3cyn h LEU 38 Ca -0.21 0.18 0.10 0.00 0.84 0.00 0.00 57.88 58.79 3cyn h LEU 38 Cb 1.23 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3cyn h LEU 38 CO 0.48 -0.11 0.32 0.22 -0.34 0.00 0.00 178.44 179.02 3cyn h TYR 39 N 0.31 0.22 -0.33 1.25 3.20 -2.05 -2.51 116.97 117.07 3cyn h TYR 39 Ca 0.63 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.51 3cyn h TYR 39 Cb 1.33 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.53 3cyn h TYR 39 CO -0.13 0.11 0.00 1.19 -1.64 0.00 0.00 178.16 177.69 3cyn n PHE 40 N -4.45 0.43 -2.53 -3.82 3.72 -0.25 -4.99 117.46 105.57 3cyn n PHE 40 Ca 0.07 -0.37 -0.38 0.00 -0.05 0.00 0.00 57.45 56.72 3cyn n PHE 40 Cb 0.39 -0.02 -0.04 0.00 -0.94 0.00 0.00 39.48 38.87 3cyn n PHE 40 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 3cyn s GLN 41 N -1.04 4.39 -1.27 -1.08 -0.21 -0.95 -4.17 119.66 115.33 3cyn s GLN 41 Ca 0.26 1.62 -0.00 0.00 0.02 0.00 0.00 55.36 57.26 3cyn s GLN 41 Cb 0.14 -2.83 0.00 0.00 1.00 0.00 0.00 33.01 31.32 3cyn s GLN 41 CO 0.19 0.03 0.79 0.43 -2.12 0.00 0.00 175.29 174.62 3cyn n SER 42 N 0.50 -1.42 0.05 5.90 7.64 -1.26 -4.91 113.62 120.12 3cyn n SER 42 Ca 0.02 -0.76 -0.10 0.00 1.01 0.00 0.00 58.87 59.04 3cyn n SER 42 Cb 0.48 -4.39 0.01 0.00 -1.01 0.00 0.00 64.21 59.30 3cyn n SER 42 CO 0.00 0.00 0.00 0.24 -3.01 0.00 0.00 175.04 172.27 3cyn h MET 43 N -1.88 0.40 -4.91 1.43 2.86 -1.95 -3.41 114.93 107.47 3cyn h MET 43 Ca -0.60 -0.35 -0.67 0.00 -2.06 0.00 0.00 59.70 56.02 3cyn h MET 43 Cb 1.35 0.08 -0.36 0.00 0.06 0.00 0.00 31.60 32.73 3cyn h MET 43 CO 0.54 1.00 -0.81 0.42 1.06 0.00 0.00 176.91 179.13 3cyn s ILE 44 N -3.53 2.23 -0.02 -1.22 -1.09 -1.26 -4.98 121.20 111.32 3cyn s ILE 44 Ca -0.06 -1.42 0.00 0.00 -2.23 0.00 0.00 60.65 56.94 3cyn s ILE 44 Cb 0.10 -2.22 -0.00 0.00 -1.58 0.00 0.00 42.46 38.76 3cyn s ILE 44 CO 0.84 0.11 0.07 0.59 -1.23 0.00 0.00 174.94 175.33 3cyn n ASN 45 N 4.50 0.13 -3.89 3.58 3.02 -1.26 -5.03 115.26 116.31 3cyn n ASN 45 Ca -0.16 -0.56 -0.18 0.00 -0.03 0.00 0.00 54.58 53.65 3cyn n ASN 45 Cb 0.44 0.90 -0.16 0.00 -0.61 0.00 0.00 39.78 40.35 3cyn n ASN 45 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3cyn s SER 46 N -0.94 0.65 0.45 6.41 0.15 -1.26 -4.50 113.70 114.67 3cyn s SER 46 Ca 0.00 -0.08 0.11 0.00 0.70 0.00 0.00 55.95 56.68 3cyn s SER 46 Cb 0.00 -0.26 1.03 0.00 -1.71 0.00 0.00 66.02 65.09 3cyn s SER 46 CO 0.02 -0.04 2.09 0.15 1.20 0.00 0.00 173.24 176.66 3cyn h PHE 47 N 6.87 0.31 0.00 3.44 3.57 -1.43 -2.47 116.94 127.23 3cyn h PHE 47 Ca -0.37 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.14 3cyn h PHE 47 Cb 1.16 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.79 3cyn h PHE 47 CO 0.48 0.19 0.00 0.66 -2.23 0.00 0.00 178.31 177.41 3cyn n TYR 48 N -4.50 0.00 0.39 0.41 4.01 -1.26 -2.96 117.16 113.25 3cyn n TYR 48 Ca 0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.89 3cyn n TYR 48 Cb 0.11 -0.34 0.50 0.00 -0.31 0.00 0.00 39.34 39.29 3cyn n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cyn h ALA 49 N 3.07 1.00 -2.29 -0.72 0.00 -1.75 -1.49 119.26 117.08 3cyn h ALA 49 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 54.91 54.42 3cyn h ALA 49 Cb 0.28 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3cyn h ALA 49 CO 0.00 0.00 0.12 -0.06 0.00 0.00 0.00 179.25 179.31 3cyn s PHE 50 N -3.36 3.37 -0.01 0.00 0.08 -1.16 -4.86 117.98 112.05 3cyn s PHE 50 Ca 0.05 1.24 -0.09 0.00 0.12 0.00 0.00 56.93 58.25 3cyn s PHE 50 Cb 0.09 -2.56 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 3cyn s PHE 50 CO 0.50 0.06 0.30 -1.21 -0.10 0.00 0.00 175.22 174.77 3cyn s GLU 51 N -3.08 3.67 0.14 0.44 2.02 -1.26 -0.95 118.70 119.68 3cyn s GLU 51 Ca 0.55 0.08 -0.00 0.00 0.02 0.00 0.00 54.97 55.61 3cyn s GLU 51 Cb -0.10 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.97 3cyn s GLU 51 CO 0.18 0.67 0.04 0.14 0.02 0.00 0.00 175.26 176.31 3cyn s VAL 52 N -1.21 0.25 0.04 2.63 -7.23 0.08 -4.86 120.40 110.10 3cyn s VAL 52 Ca 0.25 -1.93 -0.19 0.00 -1.81 0.00 0.00 61.98 58.31 3cyn s VAL 52 Cb -0.14 -2.05 -0.06 0.00 0.56 0.00 0.00 36.38 34.69 3cyn s VAL 52 CO 0.13 -0.48 0.55 -0.54 -0.31 0.00 0.00 175.10 174.45 3cyn s LYS 53 N -4.01 4.19 0.96 4.82 1.02 -1.26 -0.27 119.74 125.19 3cyn s LYS 53 Ca 0.24 0.68 -0.16 0.00 0.02 0.00 0.00 55.97 56.75 3cyn s LYS 53 Cb 0.07 -3.27 0.19 0.00 -0.52 0.00 0.00 37.83 34.31 3cyn s LYS 53 CO 0.02 0.56 1.30 0.16 -0.92 0.00 0.00 175.35 176.47 3cyn s ASP 54 N -0.81 3.12 0.57 2.83 1.47 0.39 -1.26 116.67 122.98 3cyn s ASP 54 Ca 0.29 0.34 0.28 0.00 1.18 0.00 0.00 52.55 54.63 3cyn s ASP 54 Cb -0.19 -0.43 1.71 0.00 -0.34 0.00 0.00 42.92 43.67 3cyn s ASP 54 CO 0.17 -2.74 2.21 0.00 0.68 0.00 0.00 175.17 175.50 3cyn h ALA 55 N -1.64 1.52 -0.01 2.11 0.00 -1.76 -0.77 119.26 118.72 3cyn h ALA 55 Ca -0.45 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3cyn h ALA 55 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3cyn h ALA 55 CO 0.40 0.03 -0.06 1.63 0.00 0.00 0.00 179.25 181.26 3cyn n LYS 56 N -3.87 1.30 -0.39 0.00 4.76 -1.26 -3.50 118.16 115.20 3cyn n LYS 56 Ca -0.03 -0.64 0.00 0.00 -2.87 0.00 0.00 58.31 54.77 3cyn n LYS 56 Cb 0.11 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 3cyn n LYS 56 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3cyn n GLY 57 N 1.19 0.76 3.80 0.72 0.00 -0.30 -5.07 105.19 106.30 3cyn n GLY 57 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3cyn n GLY 57 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3cyn s ARG 58 N -0.61 4.35 0.12 1.61 0.52 -1.26 -4.77 118.95 118.90 3cyn s ARG 58 Ca 0.00 0.94 -0.31 0.00 -0.52 0.00 0.00 55.73 55.84 3cyn s ARG 58 Cb 0.00 -3.09 -0.07 0.00 0.52 0.00 0.00 34.95 32.31 3cyn s ARG 58 CO 0.00 0.51 1.29 0.99 0.02 0.00 0.00 175.30 178.11 3cyn s THR 59 N -1.31 3.57 -0.02 0.02 2.01 -1.26 -0.46 115.64 118.20 3cyn s THR 59 Ca 0.38 1.17 0.04 0.00 0.31 0.00 0.00 61.69 63.58 3cyn s THR 59 Cb -0.20 -3.75 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 3cyn s THR 59 CO 0.22 0.11 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.46 3cyn s VAL 60 N 0.82 0.97 0.00 3.82 1.01 0.63 -4.90 120.40 122.75 3cyn s VAL 60 Ca 0.60 -0.50 -0.19 0.00 0.00 0.00 0.00 61.98 61.89 3cyn s VAL 60 Cb -0.34 -0.82 -0.06 0.00 0.00 0.00 0.00 36.38 35.16 3cyn s VAL 60 CO 0.32 0.28 0.54 -0.55 0.00 0.00 0.00 175.10 175.69 3cyn s SER 61 N -0.14 6.94 0.00 3.32 0.15 -1.26 -0.74 113.70 121.97 3cyn s SER 61 Ca 0.02 1.11 0.30 0.00 0.70 0.00 0.00 55.95 58.08 3cyn s SER 61 Cb -0.06 -2.33 1.75 0.00 -1.71 0.00 0.00 66.02 63.67 3cyn s SER 61 CO -0.00 0.18 2.13 0.18 1.20 0.00 0.00 173.24 176.93 3cyn n LEU 62 N 2.41 0.05 0.29 3.45 4.77 -0.12 -3.64 117.00 124.20 3cyn n LEU 62 Ca -0.09 -0.02 0.15 0.00 -0.03 0.00 0.00 56.01 56.02 3cyn n LEU 62 Cb 0.51 -0.00 0.88 0.00 -2.33 0.00 0.00 43.42 42.48 3cyn n LEU 62 CO 0.42 0.01 1.09 -0.33 -1.33 0.00 0.00 177.39 177.24 3cyn h GLU 63 N 0.07 0.00 0.00 3.23 3.07 -1.49 -1.57 114.58 117.89 3cyn h GLU 63 Ca 0.00 0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3cyn h GLU 63 Cb 0.02 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 27.93 3cyn h GLU 63 CO 0.00 0.03 -0.01 1.57 -1.40 0.00 0.00 179.01 179.21 3cyn h LYS 64 N 0.00 0.00 -0.02 2.33 2.10 -1.87 -1.65 116.57 117.46 3cyn h LYS 64 Ca -0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3cyn h LYS 64 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 3cyn h LYS 64 CO 0.00 0.01 0.00 0.66 -2.00 0.00 0.00 179.45 178.12 3cyn n TYR 65 N -3.17 0.01 -1.68 0.07 4.01 -0.59 -4.95 117.16 110.86 3cyn n TYR 65 Ca -0.02 -0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.27 3cyn n TYR 65 Cb 0.12 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.13 3cyn n TYR 65 CO 0.00 0.00 0.00 1.17 -0.46 0.00 0.00 176.86 177.57 3cyn n LYS 66 N 0.56 2.13 -0.22 -0.72 4.81 -0.62 -1.25 118.16 122.83 3cyn n LYS 66 Ca 0.17 0.76 0.00 0.00 -0.87 0.00 0.00 58.31 58.37 3cyn n LYS 66 Cb 0.43 -2.43 0.00 0.00 0.02 0.00 0.00 35.03 33.05 3cyn n LYS 66 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3cyn n GLY 67 N 2.13 1.64 3.84 3.14 0.00 -0.76 -5.04 105.19 110.14 3cyn n GLY 67 Ca 0.11 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.88 3cyn n GLY 67 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3cyn s LYS 68 N -0.33 3.04 0.06 1.61 1.02 -0.38 -4.78 119.74 119.98 3cyn s LYS 68 Ca 0.00 -0.84 -0.25 0.00 0.02 0.00 0.00 55.97 54.90 3cyn s LYS 68 Cb 0.00 -2.71 -0.06 0.00 -0.52 0.00 0.00 37.83 34.54 3cyn s LYS 68 CO 0.00 0.48 0.77 0.08 -0.92 0.00 0.00 175.35 175.75 3cyn s VAL 69 N -1.82 4.69 -0.03 3.17 1.01 -0.30 -3.39 120.40 123.72 3cyn s VAL 69 Ca 0.32 1.64 0.04 0.00 0.00 0.00 0.00 61.98 63.98 3cyn s VAL 69 Cb -0.10 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3cyn s VAL 69 CO 0.25 0.38 -0.15 -0.44 0.00 0.00 0.00 175.10 175.14 3cyn s SER 70 N -0.18 1.85 -0.40 3.32 0.01 -0.29 -1.20 113.70 116.81 3cyn s SER 70 Ca 0.38 -0.30 -0.12 0.00 1.31 0.00 0.00 55.95 57.22 3cyn s SER 70 Cb -0.21 -0.46 0.03 0.00 0.21 0.00 0.00 66.02 65.60 3cyn s SER 70 CO 0.23 0.14 0.25 -0.22 0.41 0.00 0.00 173.24 174.05 3cyn s LEU 71 N 0.02 4.95 -0.19 2.44 2.96 -0.32 -0.27 118.68 128.26 3cyn s LEU 71 Ca -0.02 -1.05 -0.12 0.00 -0.22 0.00 0.00 54.13 52.72 3cyn s LEU 71 Cb -0.10 -2.07 -0.05 0.00 0.50 0.00 0.00 46.19 44.47 3cyn s LEU 71 CO 0.01 -0.44 0.22 -0.69 -1.32 0.00 0.00 176.35 174.13 3cyn s VAL 72 N 1.58 5.35 -0.02 1.68 1.01 0.64 -1.40 120.40 129.24 3cyn s VAL 72 Ca 0.03 0.36 0.01 0.00 0.00 0.00 0.00 61.98 62.38 3cyn s VAL 72 Cb -0.20 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3cyn s VAL 72 CO 0.07 0.39 -0.00 -0.69 0.00 0.00 0.00 175.10 174.87 3cyn s VAL 73 N 0.57 0.17 -0.13 2.92 1.01 -0.85 -0.31 120.40 123.78 3cyn s VAL 73 Ca 0.12 0.04 -0.27 0.00 0.00 0.00 0.00 61.98 61.87 3cyn s VAL 73 Cb -0.12 -0.24 -0.01 0.00 0.00 0.00 0.00 36.38 36.00 3cyn s VAL 73 CO 0.02 0.12 0.91 0.54 0.00 0.00 0.00 175.10 176.69 3cyn s ASN 74 N 0.75 7.10 0.39 3.32 4.22 -1.13 -1.12 114.94 128.48 3cyn s ASN 74 Ca -0.07 1.35 0.08 0.00 -2.14 0.00 0.00 52.86 52.08 3cyn s ASN 74 Cb -0.11 -2.50 -0.05 0.00 1.28 0.00 0.00 41.25 39.87 3cyn s ASN 74 CO -0.01 -0.41 0.18 0.68 -2.04 0.00 0.00 177.10 175.49 3cyn s VAL 75 N 2.04 2.50 -0.10 3.54 -7.23 -0.28 -0.06 120.40 120.79 3cyn s VAL 75 Ca 0.43 -1.68 -0.30 0.00 -1.81 0.00 0.00 61.98 58.62 3cyn s VAL 75 Cb -0.17 -2.98 0.08 0.00 0.56 0.00 0.00 36.38 33.86 3cyn s VAL 75 CO 0.15 -0.05 0.72 0.00 -0.31 0.00 0.00 175.10 175.61 3cyn s ALA 76 N -2.55 -1.79 -0.13 1.32 0.00 -1.26 -2.02 121.76 115.33 3cyn s ALA 76 Ca 0.41 1.48 0.21 0.00 0.00 0.00 0.00 51.96 54.05 3cyn s ALA 76 Cb 0.02 -0.30 -0.18 0.00 0.00 0.00 0.00 23.12 22.66 3cyn s ALA 76 CO 0.23 -0.36 0.68 0.43 0.00 0.00 0.00 175.76 176.74 3cyn n SER 77 N 1.25 0.44 -3.17 0.00 7.64 -0.90 -4.64 113.62 114.25 3cyn n SER 77 Ca -0.17 0.18 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 3cyn n SER 77 Cb 0.57 1.04 -0.06 0.00 -1.01 0.00 0.00 64.21 64.74 3cyn n SER 77 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 3cyn n ASP 78 N -2.57 3.83 -3.83 6.43 2.03 -0.06 -4.91 116.55 117.47 3cyn n ASP 78 Ca -0.07 -3.51 -0.12 0.00 0.52 0.00 0.00 54.79 51.61 3cyn n ASP 78 Cb 0.68 -0.61 -0.11 0.00 -0.72 0.00 0.00 41.12 40.36 3cyn n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3cyn h GLN 80 N 5.09 0.53 -0.00 0.00 4.15 -1.98 -1.87 115.11 121.02 3cyn h GLN 80 Ca -0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.11 3cyn h GLN 80 Cb 1.19 -0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3cyn h GLN 80 CO 0.40 0.35 -0.09 1.28 -1.93 0.00 0.00 178.83 178.84 3cyn n LEU 81 N -4.78 0.30 0.07 -2.39 4.77 -1.26 -4.44 117.00 109.27 3cyn n LEU 81 Ca 0.26 0.12 -0.11 0.00 -0.03 0.00 0.00 56.01 56.24 3cyn n LEU 81 Cb 0.77 -0.23 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 3cyn n LEU 81 CO 0.20 0.06 0.72 0.74 -1.33 0.00 0.00 177.39 177.78 3cyn h THR 82 N 0.34 0.51 0.19 -5.08 2.02 -1.60 -2.40 112.91 106.89 3cyn h THR 82 Ca 0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 3cyn h THR 82 Cb 0.35 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 3cyn h THR 82 CO 0.00 0.00 -0.09 -0.78 0.37 0.00 0.00 175.52 175.02 3cyn h ASP 83 N -0.35 -0.22 -0.27 4.18 3.58 -1.80 -0.95 116.42 120.59 3cyn h ASP 83 Ca 0.05 -0.05 -0.04 0.00 0.42 0.00 0.00 57.03 57.41 3cyn h ASP 83 Cb 0.42 0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.50 3cyn h ASP 83 CO -0.17 -0.09 0.04 0.08 -2.88 0.00 0.00 179.24 176.21 3cyn h ARG 84 N -0.33 0.54 -0.07 0.28 0.11 -1.84 -1.81 114.38 111.27 3cyn h ARG 84 Ca -0.03 -0.10 -0.08 0.00 0.10 0.00 0.00 59.98 59.87 3cyn h ARG 84 Cb 0.25 -0.09 0.00 0.00 1.11 0.00 0.00 29.97 31.25 3cyn h ARG 84 CO 0.04 0.54 -0.28 -0.91 0.10 0.00 0.00 179.97 179.47 3cyn h ASN 85 N 0.53 0.36 -0.90 0.08 2.35 -1.26 -0.86 115.58 115.88 3cyn h ASN 85 Ca 0.12 -0.64 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3cyn h ASN 85 Cb 0.28 -0.11 -0.04 0.00 0.05 0.00 0.00 38.32 38.50 3cyn h ASN 85 CO 0.00 0.94 0.57 1.88 -1.65 0.00 0.00 177.43 179.17 3cyn h TYR 86 N -0.19 1.16 -0.25 1.19 -1.99 -1.05 0.98 116.97 116.82 3cyn h TYR 86 Ca -0.02 0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.71 3cyn h TYR 86 Cb 0.92 -0.39 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3cyn h TYR 86 CO 0.13 0.75 0.11 -0.07 -0.00 0.00 0.00 178.16 179.08 3cyn h LEU 87 N 1.23 0.33 -0.34 3.88 3.38 -1.34 -1.11 115.31 121.35 3cyn h LEU 87 Ca 0.33 -0.15 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 3cyn h LEU 87 Cb -0.10 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 3cyn h LEU 87 CO -0.07 0.39 0.02 1.23 0.09 0.00 0.00 178.44 180.11 3cyn h GLY 88 N 0.25 0.64 1.30 0.83 0.00 -0.83 -2.07 103.07 103.18 3cyn h GLY 88 Ca 0.08 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.91 3cyn h GLY 88 CO -0.01 0.42 0.17 1.41 0.00 0.00 0.00 176.54 178.53 3cyn h LEU 89 N 0.41 0.82 -0.55 3.11 3.38 -0.80 -1.89 115.31 119.79 3cyn h LEU 89 Ca 0.10 -0.14 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3cyn h LEU 89 Cb 0.42 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.92 3cyn h LEU 89 CO 0.01 0.78 0.33 0.50 0.09 0.00 0.00 178.44 180.16 3cyn h LYS 90 N 0.86 0.74 -0.23 1.13 3.64 -1.04 -1.37 116.57 120.30 3cyn h LYS 90 Ca 0.19 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.49 3cyn h LYS 90 Cb 0.26 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 3cyn h LYS 90 CO -0.01 0.54 0.09 0.93 -2.27 0.00 0.00 179.45 178.73 3cyn h GLU 91 N 0.74 0.34 -0.46 1.90 5.08 -0.99 -0.93 114.58 120.27 3cyn h GLU 91 Ca 0.20 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.49 3cyn h GLU 91 Cb -0.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 3cyn h GLU 91 CO -0.04 0.40 0.29 -0.07 -1.00 0.00 0.00 179.01 178.59 3cyn h LEU 92 N 0.21 0.54 -0.50 1.33 3.38 -1.22 -1.62 115.31 117.43 3cyn h LEU 92 Ca 0.08 -0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 3cyn h LEU 92 Cb 0.18 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 3cyn h LEU 92 CO -0.01 0.41 0.14 -0.74 0.09 0.00 0.00 178.44 178.33 3cyn h HIS 93 N 0.61 0.82 -0.96 1.13 2.76 -1.14 -1.28 115.15 117.10 3cyn h HIS 93 Ca 0.16 -0.09 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3cyn h HIS 93 Cb -0.04 -0.23 -0.05 0.00 1.55 0.00 0.00 27.41 28.64 3cyn h HIS 93 CO -0.04 0.72 0.62 0.87 -1.30 0.00 0.00 177.93 178.80 3cyn h LYS 94 N 0.68 1.27 -0.04 5.26 1.57 -0.98 0.92 116.57 125.24 3cyn h LYS 94 Ca 0.16 -0.09 -0.08 0.00 -1.87 0.00 0.00 60.65 58.77 3cyn h LYS 94 Cb 0.30 -0.28 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3cyn h LYS 94 CO -0.00 0.85 -0.30 1.49 -0.57 0.00 0.00 179.45 180.92 3cyn h GLU 95 N 1.30 0.28 0.00 3.15 4.81 -1.05 -3.39 114.58 119.68 3cyn h GLU 95 Ca 0.35 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 59.33 3cyn h GLU 95 Cb -0.12 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.31 3cyn h GLU 95 CO -0.07 0.91 -1.43 1.19 -0.73 0.00 0.00 179.01 178.87 3cyn n PHE 96 N -4.46 0.00 -2.62 0.92 3.01 -0.50 -5.01 117.46 108.80 3cyn n PHE 96 Ca -0.09 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.14 3cyn n PHE 96 Cb 0.50 -0.26 0.12 0.00 -0.01 0.00 0.00 39.48 39.83 3cyn n PHE 96 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 3cyn s GLY 97 N -3.44 1.75 0.00 1.37 0.00 0.31 -3.75 107.32 103.56 3cyn s GLY 97 Ca -0.02 -1.84 0.22 0.00 0.00 0.00 0.00 44.72 43.07 3cyn s GLY 97 CO 0.67 -1.24 1.16 -1.55 0.00 0.00 0.00 173.10 172.15 3cyn n PRO 98 N -2.86 1.92 0.07 2.90 -0.04 -1.26 -4.85 135.00 130.88 3cyn n PRO 98 Ca 0.16 -1.67 -0.21 0.00 -0.04 0.00 0.00 63.50 61.75 3cyn n PRO 98 Cb 0.61 -1.42 -0.13 0.00 -0.04 0.00 0.00 33.50 32.52 3cyn n PRO 98 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3cyn h SER 99 N 3.96 0.67 -0.01 3.54 0.02 -1.97 -3.37 113.55 116.40 3cyn h SER 99 Ca 0.00 -0.86 0.00 0.00 -0.84 0.00 0.00 61.79 60.09 3cyn h SER 99 Cb 0.87 -0.21 0.00 0.00 0.14 0.00 0.00 62.40 63.20 3cyn h SER 99 CO 0.00 1.47 -0.27 1.41 -1.14 0.00 0.00 176.83 178.30 3cyn n HIS 100 N -3.98 0.00 -3.75 3.45 8.25 -1.26 -4.84 115.22 113.09 3cyn n HIS 100 Ca -0.13 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.19 3cyn n HIS 100 Cb 0.88 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.89 3cyn n HIS 100 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 3cyn s PHE 101 N -1.53 -0.33 0.02 4.41 5.36 -1.25 -1.15 117.98 123.51 3cyn s PHE 101 Ca 0.08 0.75 -0.02 0.00 -0.96 0.00 0.00 56.93 56.78 3cyn s PHE 101 Cb 0.09 0.12 -0.01 0.00 -0.34 0.00 0.00 43.02 42.88 3cyn s PHE 101 CO 0.30 -0.24 0.02 0.45 -1.46 0.00 0.00 175.22 174.28 3cyn s SER 102 N -0.25 0.19 -0.11 6.13 0.15 -0.34 -4.16 113.70 115.32 3cyn s SER 102 Ca -0.04 -0.44 -0.20 0.00 0.70 0.00 0.00 55.95 55.97 3cyn s SER 102 Cb -0.03 0.13 -0.04 0.00 -1.71 0.00 0.00 66.02 64.37 3cyn s SER 102 CO 0.02 -0.34 0.55 -0.69 1.20 0.00 0.00 173.24 173.98 3cyn s VAL 103 N -1.57 5.14 -0.31 4.45 1.01 -1.26 -1.17 120.40 126.69 3cyn s VAL 103 Ca -0.15 1.10 -0.02 0.00 0.00 0.00 0.00 61.98 62.92 3cyn s VAL 103 Cb -0.08 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.47 3cyn s VAL 103 CO -0.01 0.30 0.01 -0.76 0.00 0.00 0.00 175.10 174.64 3cyn s LEU 104 N 0.71 3.99 -0.23 3.92 1.43 -0.49 -3.80 118.68 124.21 3cyn s LEU 104 Ca 0.29 -1.35 -0.08 0.00 -1.03 0.00 0.00 54.13 51.96 3cyn s LEU 104 Cb -0.16 -1.71 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 3cyn s LEU 104 CO 0.13 -0.28 0.09 0.00 0.23 0.00 0.00 176.35 176.52 3cyn s ALA 105 N 1.23 3.36 -0.34 4.21 0.00 -0.78 -2.00 121.76 127.44 3cyn s ALA 105 Ca -0.04 -0.95 -0.01 0.00 0.00 0.00 0.00 51.96 50.96 3cyn s ALA 105 Cb -0.20 -2.10 0.08 0.00 0.00 0.00 0.00 23.12 20.90 3cyn s ALA 105 CO -0.02 -0.20 0.07 -0.06 0.00 0.00 0.00 175.76 175.55 3cyn s PHE 106 N 1.09 3.46 0.63 0.00 0.08 -0.27 -1.26 117.98 121.70 3cyn s PHE 106 Ca 0.05 -2.29 -0.18 0.00 0.12 0.00 0.00 56.93 54.64 3cyn s PHE 106 Cb -0.14 -2.62 -0.02 0.00 -0.57 0.00 0.00 43.02 39.67 3cyn s PHE 106 CO 0.04 -0.89 1.21 -2.14 -0.10 0.00 0.00 175.22 173.34 3cyn s PRO 107 N 1.14 2.76 -0.21 0.24 0.02 -1.26 -1.13 135.00 136.57 3cyn s PRO 107 Ca 0.02 1.82 -0.15 0.00 0.02 0.00 0.00 61.00 62.71 3cyn s PRO 107 Cb -0.21 -1.90 0.06 0.00 0.02 0.00 0.00 34.50 32.47 3cyn s PRO 107 CO -0.04 -1.37 0.53 0.00 -0.33 0.00 0.00 177.00 175.79 3cyn n ASN 109 N 3.53 4.61 -0.51 0.00 5.15 -1.26 -4.12 115.26 122.65 3cyn n ASN 109 Ca -0.18 -2.40 0.14 0.00 -0.60 0.00 0.00 54.58 51.54 3cyn n ASN 109 Cb 0.56 -0.56 0.49 0.00 -0.53 0.00 0.00 39.78 39.75 3cyn n ASN 109 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3cyn n GLN 110 N 1.13 1.70 -3.91 1.20 6.02 -1.26 -3.47 117.38 118.78 3cyn n GLN 110 Ca 0.25 -1.03 -0.30 0.00 -0.01 0.00 0.00 57.00 55.91 3cyn n GLN 110 Cb 0.85 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.49 3cyn n GLN 110 CO 0.00 0.00 0.00 -0.06 -1.01 0.00 0.00 177.06 175.99 3cyn s PHE 111 N -2.01 3.03 -1.32 1.08 0.08 -1.26 -4.68 117.98 112.90 3cyn s PHE 111 Ca 0.37 -2.86 0.00 0.00 0.12 0.00 0.00 56.93 54.56 3cyn s PHE 111 Cb 0.21 -2.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.06 3cyn s PHE 111 CO 0.34 -0.83 0.00 0.41 -0.10 0.00 0.00 175.22 175.04 3cyn n GLY 112 N 3.73 0.94 3.92 4.36 0.00 -1.26 -2.98 105.19 113.90 3cyn n GLY 112 Ca 0.05 -0.39 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 3cyn n GLY 112 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3cyn n GLU 113 N -2.52 -2.34 -0.15 1.61 1.02 -1.23 -4.88 120.64 112.15 3cyn n GLU 113 Ca -0.14 0.37 0.11 0.00 -0.02 0.00 0.00 57.16 57.48 3cyn n GLU 113 Cb 0.49 -4.19 0.27 0.00 -0.02 0.00 0.00 31.44 27.99 3cyn n GLU 113 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3cyn n SER 114 N -2.83 2.80 -3.17 1.62 7.64 -1.16 -4.26 113.62 114.26 3cyn n SER 114 Ca -0.24 -1.90 -0.20 0.00 1.01 0.00 0.00 58.87 57.54 3cyn n SER 114 Cb 0.65 -0.20 -0.04 0.00 -1.01 0.00 0.00 64.21 63.61 3cyn n SER 114 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 3cyn n GLU 115 N 1.07 1.17 0.23 1.43 4.07 -1.26 -0.88 120.64 126.46 3cyn n GLU 115 Ca 0.18 -3.52 0.10 0.00 -0.06 0.00 0.00 57.16 53.86 3cyn n GLU 115 Cb 0.50 -1.68 0.50 0.00 -0.06 0.00 0.00 31.44 30.70 3cyn n GLU 115 CO 0.00 0.00 0.00 -1.00 -0.06 0.00 0.00 177.13 176.07 3cyn h PRO 116 N 3.20 0.00 -7.28 5.31 0.13 -1.93 -3.40 132.00 128.03 3cyn h PRO 116 Ca 0.10 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.74 3cyn h PRO 116 Cb 0.90 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.08 3cyn h PRO 116 CO 0.53 0.23 0.39 1.03 -0.23 0.00 0.00 178.00 179.95 3cyn s ARG 117 N -3.76 3.66 0.69 0.86 1.81 -1.26 -5.03 118.95 115.92 3cyn s ARG 117 Ca -0.00 0.89 -0.17 0.00 -1.72 0.00 0.00 55.73 54.73 3cyn s ARG 117 Cb 0.11 -2.09 0.01 0.00 -0.45 0.00 0.00 34.95 32.53 3cyn s ARG 117 CO 0.63 -0.52 1.24 -2.30 -0.68 0.00 0.00 175.30 173.67 3cyn n PRO 118 N -2.25 0.82 -0.32 3.54 -0.02 -1.26 -4.74 135.00 130.77 3cyn n PRO 118 Ca 0.07 0.34 0.09 0.00 -2.02 0.00 0.00 63.50 61.98 3cyn n PRO 118 Cb 0.54 -2.48 0.26 0.00 -0.02 0.00 0.00 33.50 31.81 3cyn n PRO 118 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 3cyn h SER 119 N 0.09 0.65 -0.25 2.55 0.02 -1.96 -0.68 113.55 113.97 3cyn h SER 119 Ca -0.49 0.09 -0.08 0.00 -0.84 0.00 0.00 61.79 60.47 3cyn h SER 119 Cb 1.33 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.83 3cyn h SER 119 CO 0.51 0.26 -0.11 0.50 -1.14 0.00 0.00 176.83 176.84 3cyn h LYS 120 N 0.70 0.65 -0.28 3.45 3.64 -1.91 -2.28 116.57 120.53 3cyn h LYS 120 Ca 0.51 -0.20 -0.11 0.00 -1.27 0.00 0.00 60.65 59.57 3cyn h LYS 120 Cb 0.74 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.49 3cyn h LYS 120 CO -0.37 0.75 -0.31 0.93 -2.27 0.00 0.00 179.45 178.18 3cyn h GLU 121 N 0.59 0.58 -0.25 1.90 5.08 -1.52 -2.59 114.58 118.37 3cyn h GLU 121 Ca 0.10 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 3cyn h GLU 121 Cb 0.54 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3cyn h GLU 121 CO 0.03 0.82 0.13 0.28 -1.00 0.00 0.00 179.01 179.27 3cyn h VAL 122 N 0.50 1.13 -0.59 3.13 2.07 -0.97 0.54 116.25 122.06 3cyn h VAL 122 Ca 0.06 -0.37 0.03 0.00 0.82 0.00 0.00 66.70 67.24 3cyn h VAL 122 Cb 0.78 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 3cyn h VAL 122 CO 0.06 0.13 0.35 -0.08 0.02 0.00 0.00 177.57 178.06 3cyn h GLU 123 N 0.28 0.68 -0.23 1.57 4.81 -1.40 -2.10 114.58 118.20 3cyn h GLU 123 Ca 0.09 -0.04 -0.12 0.00 -0.13 0.00 0.00 59.36 59.16 3cyn h GLU 123 Cb 0.09 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3cyn h GLU 123 CO -0.01 0.45 -0.35 0.66 -0.73 0.00 0.00 179.01 179.03 3cyn h SER 124 N 0.70 0.52 -0.19 1.04 4.64 -1.25 -1.90 113.55 117.10 3cyn h SER 124 Ca 0.24 -0.21 0.06 0.00 -0.47 0.00 0.00 61.79 61.41 3cyn h SER 124 Cb 0.03 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 61.91 3cyn h SER 124 CO -0.10 0.83 -0.27 0.15 -0.87 0.00 0.00 176.83 176.56 3cyn h PHE 125 N 0.42 -0.73 -0.33 4.77 3.57 -0.57 0.26 116.94 124.33 3cyn h PHE 125 Ca 0.05 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.57 3cyn h PHE 125 Cb 0.81 0.35 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3cyn h PHE 125 CO 0.03 -0.35 0.15 0.00 -2.23 0.00 0.00 178.31 175.91 3cyn h ALA 126 N 0.65 0.43 -0.43 2.41 0.00 -1.23 -0.65 119.26 120.43 3cyn h ALA 126 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 3cyn h ALA 126 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3cyn h ALA 126 CO -0.37 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 178.74 3cyn h ARG 127 N 0.40 0.86 -0.18 0.00 3.08 -1.11 -0.77 114.38 116.65 3cyn h ARG 127 Ca 0.11 -0.35 -0.04 0.00 0.07 0.00 0.00 59.98 59.78 3cyn h ARG 127 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3cyn h ARG 127 CO -0.01 0.98 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.60 3cyn h LYS 128 N 0.69 0.35 0.00 0.04 1.63 -0.38 -0.90 116.57 118.00 3cyn h LYS 128 Ca 0.10 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.63 3cyn h LYS 128 Cb 0.69 -0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.28 3cyn h LYS 128 CO 0.05 0.63 -1.18 -0.91 -3.45 0.00 0.00 179.45 174.58 3cyn h ASN 129 N 0.06 0.00 0.00 4.20 -0.26 -1.15 -3.40 115.58 115.03 3cyn h ASN 129 Ca 0.04 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 3cyn h ASN 129 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.76 3cyn h ASN 129 CO 0.02 0.51 -0.45 -1.22 -1.06 0.00 0.00 177.43 175.23 3cyn n TYR 130 N -2.94 0.00 -2.46 1.19 4.01 -0.31 -5.02 117.16 111.63 3cyn n TYR 130 Ca -0.06 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.48 3cyn n TYR 130 Cb 0.79 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.82 3cyn n TYR 130 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3cyn n GLY 131 N 1.54 -0.44 3.77 2.72 0.00 -0.34 -4.97 105.19 107.47 3cyn n GLY 131 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3cyn n GLY 131 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cyn s VAL 132 N -3.00 3.33 -0.64 1.61 -7.23 -1.25 -4.95 120.40 108.27 3cyn s VAL 132 Ca 0.04 1.04 0.05 0.00 -1.81 0.00 0.00 61.98 61.31 3cyn s VAL 132 Cb -0.02 -3.55 0.06 0.00 0.56 0.00 0.00 36.38 33.44 3cyn s VAL 132 CO 0.05 0.02 0.76 0.35 -0.31 0.00 0.00 175.10 175.98 3cyn n THR 133 N -0.18 0.20 -2.22 5.32 -2.24 -1.26 -4.66 114.28 109.24 3cyn n THR 133 Ca 0.06 -0.60 -0.33 0.00 -2.27 0.00 0.00 64.05 60.91 3cyn n THR 133 Cb 0.48 0.99 -0.01 0.00 -2.10 0.00 0.00 70.33 69.70 3cyn n THR 133 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 3cyn s PHE 134 N -0.56 3.09 0.19 4.78 -0.71 -1.26 -4.99 117.98 118.52 3cyn s PHE 134 Ca 0.07 1.51 -0.31 0.00 -1.04 0.00 0.00 56.93 57.17 3cyn s PHE 134 Cb 0.05 -2.97 -0.10 0.00 -1.21 0.00 0.00 43.02 38.79 3cyn s PHE 134 CO 0.07 -0.89 1.47 -1.25 -1.34 0.00 0.00 175.22 173.28 3cyn s PRO 135 N -3.91 4.26 -0.31 1.99 0.04 -1.25 -4.97 135.00 130.85 3cyn s PRO 135 Ca 0.63 2.27 -0.05 0.00 0.04 0.00 0.00 61.00 63.90 3cyn s PRO 135 Cb -0.15 -3.15 0.04 0.00 0.04 0.00 0.00 34.50 31.28 3cyn s PRO 135 CO 0.32 -0.49 0.05 0.42 0.04 0.00 0.00 177.00 177.35 3cyn s ILE 136 N 0.63 3.49 0.90 0.56 1.01 -1.26 -1.86 121.20 124.66 3cyn s ILE 136 Ca 0.64 -1.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.05 3cyn s ILE 136 Cb -0.41 -2.94 0.19 0.00 0.01 0.00 0.00 42.46 39.31 3cyn s ILE 136 CO 0.36 -0.09 1.23 -0.36 0.00 0.00 0.00 174.94 176.08 3cyn s PHE 137 N 1.36 1.32 0.52 3.97 0.08 -0.39 -3.71 117.98 121.13 3cyn s PHE 137 Ca -0.02 0.00 -0.22 0.00 0.12 0.00 0.00 56.93 56.81 3cyn s PHE 137 Cb -0.19 -3.76 -0.06 0.00 -0.57 0.00 0.00 43.02 38.45 3cyn s PHE 137 CO 0.01 -2.45 1.30 -1.58 -0.10 0.00 0.00 175.22 172.40 3cyn s HIS 138 N -3.66 2.47 0.31 0.36 2.46 -0.39 -4.35 115.29 112.50 3cyn s HIS 138 Ca 0.73 1.42 -0.28 0.00 0.47 0.00 0.00 55.06 57.40 3cyn s HIS 138 Cb -0.03 -3.67 -0.13 0.00 -0.13 0.00 0.00 32.58 28.62 3cyn s HIS 138 CO 0.50 -2.46 1.21 1.17 -2.47 0.00 0.00 174.74 172.69 3cyn n LYS 139 N -0.85 1.84 -4.38 2.88 4.81 -1.26 -4.36 118.16 116.84 3cyn n LYS 139 Ca 0.09 0.65 -0.19 0.00 -0.87 0.00 0.00 58.31 57.99 3cyn n LYS 139 Cb 0.46 -2.17 -0.10 0.00 0.02 0.00 0.00 35.03 33.24 3cyn n LYS 139 CO 0.00 0.00 0.00 0.96 1.17 0.00 0.00 177.40 179.53 3cyn s ILE 140 N -0.94 1.12 0.03 3.15 -4.36 -0.39 -4.98 121.20 114.84 3cyn s ILE 140 Ca 0.58 -2.03 -0.05 0.00 -0.26 0.00 0.00 60.65 58.89 3cyn s ILE 140 Cb -0.63 -2.54 -0.05 0.00 1.25 0.00 0.00 42.46 40.50 3cyn s ILE 140 CO 0.60 -0.18 0.27 -0.54 0.24 0.00 0.00 174.94 175.33 3cyn s LYS 141 N -3.87 3.56 -0.02 0.37 1.02 -1.26 -4.34 119.74 115.21 3cyn s LYS 141 Ca 0.32 -0.13 -0.00 0.00 0.02 0.00 0.00 55.97 56.17 3cyn s LYS 141 Cb 0.07 -3.04 -0.01 0.00 -0.52 0.00 0.00 37.83 34.33 3cyn s LYS 141 CO 0.12 0.62 -0.02 -0.89 -0.92 0.00 0.00 175.35 174.26 3cyn n ILE 142 N 0.85 0.09 -2.94 2.17 5.41 -1.26 -0.75 119.36 122.93 3cyn n ILE 142 Ca -0.09 -0.03 -0.32 0.00 1.00 0.00 0.00 62.75 63.32 3cyn n ILE 142 Cb 0.52 -1.09 -0.05 0.00 -0.71 0.00 0.00 39.64 38.31 3cyn n ILE 142 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 3cyn s LEU 143 N -5.64 3.93 0.00 1.39 1.43 -1.26 -4.56 118.68 113.97 3cyn s LEU 143 Ca -0.02 1.29 0.00 0.00 -1.03 0.00 0.00 54.13 54.37 3cyn s LEU 143 Cb 0.01 -4.14 0.00 0.00 0.03 0.00 0.00 46.19 42.09 3cyn s LEU 143 CO 0.03 -0.32 0.00 0.61 0.23 0.00 0.00 176.35 176.90 3cyn n GLY 144 N -0.84 -2.69 0.22 -3.19 0.00 -1.26 -4.24 105.19 93.19 3cyn n GLY 144 Ca 0.04 -1.83 0.05 0.00 0.00 0.00 0.00 46.02 44.28 3cyn n GLY 144 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3cyn h SER 145 N 0.00 0.00 -0.43 1.61 4.64 -2.02 -2.83 113.55 114.52 3cyn h SER 145 Ca 0.00 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.31 3cyn h SER 145 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3cyn h SER 145 CO 0.00 0.23 0.02 -0.62 -0.87 0.00 0.00 176.83 175.59 3cyn n GLU 146 N -4.21 3.78 -1.76 4.77 1.02 -1.26 -4.99 120.64 117.99 3cyn n GLU 146 Ca -0.02 -2.28 -0.42 0.00 -0.02 0.00 0.00 57.16 54.42 3cyn n GLU 146 Cb 0.29 -2.05 -0.02 0.00 -0.02 0.00 0.00 31.44 29.64 3cyn n GLU 146 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3cyn s GLY 147 N -0.56 1.99 -0.12 0.62 0.00 -1.07 -4.66 107.32 103.51 3cyn s GLY 147 Ca 0.40 1.59 -0.33 0.00 0.00 0.00 0.00 44.72 46.37 3cyn s GLY 147 CO 0.11 2.61 1.98 -2.21 0.00 0.00 0.00 173.10 175.59 3cyn n GLU 148 N 2.40 2.11 -0.31 2.90 4.07 0.07 -4.84 120.64 127.04 3cyn n GLU 148 Ca 0.09 0.74 0.15 0.00 -0.06 0.00 0.00 57.16 58.08 3cyn n GLU 148 Cb 0.37 -2.75 0.33 0.00 -0.06 0.00 0.00 31.44 29.33 3cyn n GLU 148 CO 0.00 0.00 0.00 -1.35 -0.06 0.00 0.00 177.13 175.72 3cyn h PRO 149 N 10.56 0.39 -0.65 5.31 0.11 -1.91 -0.70 132.00 145.11 3cyn h PRO 149 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3cyn h PRO 149 Cb 1.27 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 32.26 3cyn h PRO 149 CO 0.96 0.26 0.42 0.00 -0.21 0.00 0.00 178.00 179.42 3cyn h ALA 150 N 1.73 0.83 -0.07 -0.75 0.00 -1.90 -1.69 119.26 117.41 3cyn h ALA 150 Ca 0.59 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.26 3cyn h ALA 150 Cb 1.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 3cyn h ALA 150 CO -0.54 0.28 -0.72 0.35 0.00 0.00 0.00 179.25 178.62 3cyn h PHE 151 N 0.89 0.52 0.00 0.00 3.57 -1.61 -3.05 116.94 117.26 3cyn h PHE 151 Ca 0.24 -0.23 -0.03 0.00 3.53 0.00 0.00 57.97 61.48 3cyn h PHE 151 Cb -0.07 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.59 3cyn h PHE 151 CO -0.02 0.98 -0.12 0.00 -2.23 0.00 0.00 178.31 176.92 3cyn h ARG 152 N 0.26 0.00 -0.51 1.11 2.47 -0.88 -1.54 114.38 115.30 3cyn h ARG 152 Ca -0.03 0.00 0.03 0.00 -1.26 0.00 0.00 59.98 58.72 3cyn h ARG 152 Cb 1.29 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.58 3cyn h ARG 152 CO 0.12 0.12 0.28 0.35 0.56 0.00 0.00 179.97 181.41 3cyn h PHE 153 N 0.00 0.53 -0.50 3.04 3.57 -1.20 0.16 116.94 122.55 3cyn h PHE 153 Ca -0.00 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.52 3cyn h PHE 153 Cb 0.24 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3cyn h PHE 153 CO 0.00 0.29 0.32 -0.07 -2.23 0.00 0.00 178.31 176.62 3cyn h LEU 154 N 0.56 0.58 -0.22 0.59 3.38 -1.33 -0.83 115.31 118.05 3cyn h LEU 154 Ca 0.21 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 3cyn h LEU 154 Cb 0.07 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3cyn h LEU 154 CO -0.12 0.43 0.02 0.58 0.09 0.00 0.00 178.44 179.44 3cyn h VAL 155 N 0.67 1.24 -0.24 1.22 2.07 -1.14 -1.65 116.25 118.42 3cyn h VAL 155 Ca 0.18 -0.82 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 3cyn h VAL 155 Cb -0.06 1.36 -0.01 0.00 -1.52 0.00 0.00 31.29 31.06 3cyn h VAL 155 CO -0.04 0.25 -0.26 0.44 0.02 0.00 0.00 177.57 177.99 3cyn h ASP 156 N 0.15 0.47 -0.08 0.57 3.32 -0.61 0.32 116.42 120.56 3cyn h ASP 156 Ca 0.06 -0.16 -0.04 0.00 0.02 0.00 0.00 57.03 56.91 3cyn h ASP 156 Cb 0.36 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.78 3cyn h ASP 156 CO 0.01 0.73 -0.10 0.28 -1.72 0.00 0.00 179.24 178.44 3cyn h SER 157 N 0.41 0.22 1.40 6.45 0.02 -1.09 -3.30 113.55 117.66 3cyn h SER 157 Ca 0.06 -0.51 0.00 0.00 -0.84 0.00 0.00 61.79 60.50 3cyn h SER 157 Cb 0.68 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 63.15 3cyn h SER 157 CO 0.05 0.69 -0.40 0.77 -1.14 0.00 0.00 176.83 176.80 3cyn h SER 158 N -0.23 0.00 -2.35 3.07 4.64 -1.25 -3.48 113.55 113.95 3cyn h SER 158 Ca 0.01 -0.05 -0.41 0.00 -0.47 0.00 0.00 61.79 60.88 3cyn h SER 158 Cb 0.63 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.66 3cyn h SER 158 CO 0.02 0.02 -0.48 0.29 -0.87 0.00 0.00 176.83 175.82 3cyn n LYS 159 N -2.62 -1.56 -3.90 4.77 4.76 0.11 -5.00 118.16 114.72 3cyn n LYS 159 Ca 0.03 1.05 -0.29 0.00 -2.87 0.00 0.00 58.31 56.24 3cyn n LYS 159 Cb 0.50 -5.60 -0.16 0.00 -1.84 0.00 0.00 35.03 27.92 3cyn n LYS 159 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 3cyn s LYS 160 N -4.65 1.49 -0.07 1.97 -0.14 -1.09 -5.02 119.74 112.23 3cyn s LYS 160 Ca 0.00 -0.59 -0.19 0.00 -1.36 0.00 0.00 55.97 53.84 3cyn s LYS 160 Cb 0.00 -2.10 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 3cyn s LYS 160 CO 0.00 -0.45 0.51 -2.00 -0.76 0.00 0.00 175.35 172.65 3cyn s GLU 161 N 1.60 4.29 0.36 1.68 2.12 -1.26 -4.45 118.70 123.04 3cyn s GLU 161 Ca -0.00 0.54 -0.27 0.00 0.36 0.00 0.00 54.97 55.60 3cyn s GLU 161 Cb -0.16 -3.38 -0.12 0.00 0.26 0.00 0.00 34.13 30.73 3cyn s GLU 161 CO -0.08 0.28 1.21 -2.30 -0.54 0.00 0.00 175.26 173.83 3cyn n PRO 162 N 3.20 1.89 -0.01 4.30 -0.02 -1.26 -4.90 135.00 138.19 3cyn n PRO 162 Ca -0.08 0.66 0.04 0.00 -2.02 0.00 0.00 63.50 62.10 3cyn n PRO 162 Cb 0.52 -2.24 0.04 0.00 -0.02 0.00 0.00 33.50 31.79 3cyn n PRO 162 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3cyn n ARG 163 N 0.41 0.31 -3.86 -0.52 5.12 -1.26 -5.00 116.66 111.85 3cyn n ARG 163 Ca 0.06 -1.03 -0.05 0.00 -1.93 0.00 0.00 57.85 54.90 3cyn n ARG 163 Cb 0.37 -1.14 0.02 0.00 -1.16 0.00 0.00 32.46 30.55 3cyn n ARG 163 CO 0.00 0.00 0.00 -0.46 -1.93 0.00 0.00 177.63 175.24 3cyn s TRP 164 N -0.65 0.10 0.53 -1.55 -0.11 -1.26 -5.03 118.94 110.98 3cyn s TRP 164 Ca 0.09 -0.59 -0.22 0.00 1.22 0.00 0.00 56.10 56.60 3cyn s TRP 164 Cb 0.06 0.75 -0.05 0.00 -1.50 0.00 0.00 33.47 32.73 3cyn s TRP 164 CO 0.09 -1.15 1.28 -0.80 -4.62 0.00 0.00 176.95 171.76 3cyn s ASN 165 N -3.31 5.48 -0.52 5.86 0.01 -1.26 -4.08 114.94 117.11 3cyn s ASN 165 Ca 0.20 2.59 -0.01 0.00 -0.71 0.00 0.00 52.86 54.93 3cyn s ASN 165 Cb -0.03 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.00 3cyn s ASN 165 CO 0.07 -1.41 0.13 0.49 -1.51 0.00 0.00 177.10 174.87 3cyn n PHE 166 N -0.99 -0.52 -2.19 2.20 3.72 0.91 -4.71 117.46 115.88 3cyn n PHE 166 Ca 0.10 0.11 -0.35 0.00 -0.05 0.00 0.00 57.45 57.26 3cyn n PHE 166 Cb 0.47 -2.06 0.01 0.00 -0.94 0.00 0.00 39.48 36.96 3cyn n PHE 166 CO 0.00 0.00 0.00 -1.58 -0.05 0.00 0.00 176.76 175.13 3cyn s TRP 167 N -2.60 2.65 -0.02 1.38 0.52 -1.26 -3.82 118.94 115.80 3cyn s TRP 167 Ca 0.06 1.54 0.02 0.00 0.02 0.00 0.00 56.10 57.75 3cyn s TRP 167 Cb -0.03 -3.29 0.00 0.00 -1.15 0.00 0.00 33.47 29.01 3cyn s TRP 167 CO 0.08 -1.62 -0.08 0.15 0.02 0.00 0.00 176.95 175.50 3cyn s LYS 168 N -3.38 0.77 -0.07 4.98 1.02 -0.77 -2.83 119.74 119.45 3cyn s LYS 168 Ca 0.72 -0.26 0.02 0.00 0.02 0.00 0.00 55.97 56.47 3cyn s LYS 168 Cb -0.24 -0.74 0.02 0.00 -0.52 0.00 0.00 37.83 36.35 3cyn s LYS 168 CO 0.29 0.11 -0.11 0.71 -0.92 0.00 0.00 175.35 175.43 3cyn s TYR 169 N 0.10 1.42 -0.23 3.18 2.02 0.58 -0.71 117.35 123.71 3cyn s TYR 169 Ca -0.01 -0.55 -0.17 0.00 -0.37 0.00 0.00 57.07 55.96 3cyn s TYR 169 Cb -0.07 -1.07 -0.03 0.00 -0.40 0.00 0.00 41.96 40.39 3cyn s TYR 169 CO 0.00 -0.31 0.48 -1.17 -1.57 0.00 0.00 175.55 172.98 3cyn s LEU 170 N 0.84 4.10 -0.17 -1.29 2.96 -0.11 -0.26 118.68 124.75 3cyn s LEU 170 Ca -0.11 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.32 3cyn s LEU 170 Cb -0.15 -2.63 -0.01 0.00 0.50 0.00 0.00 46.19 43.89 3cyn s LEU 170 CO 0.02 -0.20 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.08 3cyn s VAL 171 N 1.89 3.35 0.82 1.68 1.01 0.62 -1.07 120.40 128.71 3cyn s VAL 171 Ca 0.21 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.54 3cyn s VAL 171 Cb -0.15 -2.47 0.10 0.00 0.00 0.00 0.00 36.38 33.85 3cyn s VAL 171 CO 0.09 0.48 1.19 0.54 0.00 0.00 0.00 175.10 177.40 3cyn s ASN 172 N 0.83 4.33 0.60 3.32 2.20 -0.16 -1.14 114.94 124.92 3cyn s ASN 172 Ca -0.02 0.68 0.30 0.00 -0.94 0.00 0.00 52.86 52.88 3cyn s ASN 172 Cb -0.15 -1.12 1.64 0.00 -2.00 0.00 0.00 41.25 39.62 3cyn s ASN 172 CO 0.01 -2.00 2.03 -0.65 -2.94 0.00 0.00 177.10 173.55 3cyn h PRO 173 N -1.11 0.00 -0.01 3.55 0.11 -1.86 -0.00 132.00 132.68 3cyn h PRO 173 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3cyn h PRO 173 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3cyn h PRO 173 CO 0.62 0.00 -0.02 0.39 -0.21 0.00 0.00 178.00 178.77 3cyn n GLU 174 N -3.62 1.28 -0.72 1.05 4.71 -1.26 -1.83 120.64 120.25 3cyn n GLU 174 Ca 0.03 -0.53 0.00 0.00 -0.01 0.00 0.00 57.16 56.65 3cyn n GLU 174 Cb 0.41 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.35 3cyn n GLU 174 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3cyn n GLY 175 N 1.14 0.62 3.81 0.62 0.00 -0.01 -4.68 105.19 106.68 3cyn n GLY 175 Ca 0.20 -0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 3cyn n GLY 175 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3cyn s GLN 176 N -0.57 4.10 -0.16 1.61 -0.21 -1.26 -1.13 119.66 122.04 3cyn s GLN 176 Ca 0.00 0.54 -0.29 0.00 0.02 0.00 0.00 55.36 55.63 3cyn s GLN 176 Cb 0.00 -3.27 -0.01 0.00 1.00 0.00 0.00 33.01 30.73 3cyn s GLN 176 CO 0.00 0.57 1.15 0.08 -2.12 0.00 0.00 175.29 174.97 3cyn s VAL 177 N -0.77 4.46 -0.24 1.09 1.01 -1.26 -0.99 120.40 123.71 3cyn s VAL 177 Ca 0.26 1.77 0.07 0.00 0.00 0.00 0.00 61.98 64.08 3cyn s VAL 177 Cb -0.17 -4.14 -0.09 0.00 0.00 0.00 0.00 36.38 31.98 3cyn s VAL 177 CO 0.15 -0.11 0.26 1.33 0.00 0.00 0.00 175.10 176.73 3cyn n VAL 178 N 5.11 0.00 -3.49 2.92 0.24 -0.23 -4.89 118.33 117.99 3cyn n VAL 178 Ca 0.12 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.99 3cyn n VAL 178 Cb 0.46 0.81 -0.04 0.00 -1.47 0.00 0.00 33.84 33.60 3cyn n VAL 178 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3cyn s LYS 179 N -1.91 1.05 0.09 7.34 2.20 -1.24 -5.02 119.74 122.26 3cyn s LYS 179 Ca 0.01 -0.06 0.02 0.00 -0.36 0.00 0.00 55.97 55.59 3cyn s LYS 179 Cb 0.05 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.82 3cyn s LYS 179 CO 0.29 -0.39 -0.07 -0.59 -0.36 0.00 0.00 175.35 174.23 3cyn s PHE 180 N -2.24 0.89 0.01 4.03 -0.12 -1.26 -0.93 117.98 118.37 3cyn s PHE 180 Ca -0.04 -0.82 0.03 0.00 -0.05 0.00 0.00 56.93 56.05 3cyn s PHE 180 Cb -0.00 -0.51 -0.01 0.00 -0.63 0.00 0.00 43.02 41.86 3cyn s PHE 180 CO -0.01 -0.11 -0.11 -1.58 -0.05 0.00 0.00 175.22 173.36 3cyn s TRP 181 N -3.18 0.94 0.67 3.49 0.51 0.11 -4.99 118.94 116.50 3cyn s TRP 181 Ca 0.08 -0.25 -0.11 0.00 -2.12 0.00 0.00 56.10 53.70 3cyn s TRP 181 Cb 0.02 -0.58 -0.01 0.00 -0.81 0.00 0.00 33.47 32.09 3cyn s TRP 181 CO -0.03 -0.01 1.05 1.03 -0.51 0.00 0.00 176.95 178.48 3cyn s ARG 182 N -0.63 3.14 0.57 4.98 0.52 -1.26 -1.85 118.95 124.42 3cyn s ARG 182 Ca 0.02 0.80 0.26 0.00 -0.52 0.00 0.00 55.73 56.28 3cyn s ARG 182 Cb -0.05 -2.02 1.66 0.00 0.52 0.00 0.00 34.95 35.05 3cyn s ARG 182 CO 0.00 -0.91 2.22 -1.35 0.02 0.00 0.00 175.30 175.28 3cyn h PRO 183 N -0.58 0.00 0.00 3.54 0.11 -1.85 -1.96 132.00 131.27 3cyn h PRO 183 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 3cyn h PRO 183 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3cyn h PRO 183 CO 0.60 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.54 3cyn n GLU 184 N -4.05 0.17 -2.81 1.05 0.00 -1.26 -4.80 120.64 108.94 3cyn n GLU 184 Ca -0.03 0.11 -0.41 0.00 0.00 0.00 0.00 57.16 56.83 3cyn n GLU 184 Cb 0.10 -1.50 -0.03 0.00 0.00 0.00 0.00 31.44 30.00 3cyn n GLU 184 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.13 175.92 3cyn s GLU 185 N -2.76 4.47 0.68 3.44 2.02 -0.74 -5.03 118.70 120.79 3cyn s GLU 185 Ca 0.16 1.23 -0.11 0.00 0.02 0.00 0.00 54.97 56.27 3cyn s GLU 185 Cb 0.14 -3.49 0.00 0.00 0.10 0.00 0.00 34.13 30.88 3cyn s GLU 185 CO 0.35 -0.11 1.07 -1.25 0.02 0.00 0.00 175.26 175.34 3cyn s PRO 186 N 1.29 3.05 0.48 0.39 0.04 -1.26 -4.95 135.00 134.04 3cyn s PRO 186 Ca 0.46 0.66 0.20 0.00 0.04 0.00 0.00 61.00 62.36 3cyn s PRO 186 Cb -0.19 -2.03 1.22 0.00 0.04 0.00 0.00 34.50 33.54 3cyn s PRO 186 CO 0.22 -0.94 1.97 0.82 0.04 0.00 0.00 177.00 179.10 3cyn h ILE 187 N -0.59 0.78 -0.05 0.56 1.08 -1.97 -1.34 117.51 115.97 3cyn h ILE 187 Ca -0.45 -0.07 0.02 0.00 -0.39 0.00 0.00 64.86 63.97 3cyn h ILE 187 Cb 1.23 0.56 -0.00 0.00 -3.07 0.00 0.00 36.82 35.53 3cyn h ILE 187 CO 0.62 0.04 0.05 -0.33 -0.69 0.00 0.00 178.15 177.83 3cyn h GLU 188 N 0.20 0.00 -0.02 2.37 3.07 -2.01 0.83 114.58 119.03 3cyn h GLU 188 Ca 0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3cyn h GLU 188 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3cyn h GLU 188 CO -0.05 0.00 -0.16 1.33 -1.40 0.00 0.00 179.01 178.73 3cyn n VAL 189 N -4.18 0.00 -0.10 3.13 0.24 -0.51 -4.36 118.33 112.55 3cyn n VAL 189 Ca -0.02 -0.37 -0.20 0.00 -2.04 0.00 0.00 64.34 61.71 3cyn n VAL 189 Cb 0.15 1.21 -0.12 0.00 -1.47 0.00 0.00 33.84 33.61 3cyn n VAL 189 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3cyn n ILE 190 N 0.64 1.57 -0.23 1.34 5.41 -0.44 -4.64 119.36 123.01 3cyn n ILE 190 Ca 0.13 -0.56 0.00 0.00 1.00 0.00 0.00 62.75 63.33 3cyn n ILE 190 Cb 0.51 -1.56 0.12 0.00 -0.71 0.00 0.00 39.64 38.00 3cyn n ILE 190 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 176.55 176.46 3cyn h ARG 191 N -0.11 0.54 -0.78 0.38 2.43 -1.09 -2.78 114.38 112.97 3cyn h ARG 191 Ca -0.55 -0.03 0.06 0.00 -0.81 0.00 0.00 59.98 58.65 3cyn h ARG 191 Cb 1.89 -0.12 -0.06 0.00 -0.42 0.00 0.00 29.97 31.26 3cyn h ARG 191 CO -0.08 0.36 0.46 -1.35 -1.51 0.00 0.00 179.97 177.85 3cyn h PRO 192 N 0.55 0.82 -0.67 0.20 0.11 -1.82 0.40 132.00 131.59 3cyn h PRO 192 Ca 0.32 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.33 3cyn h PRO 192 Cb 0.33 -0.18 -0.03 0.00 0.11 0.00 0.00 31.00 31.23 3cyn h PRO 192 CO -0.26 0.54 0.22 -0.44 -0.21 0.00 0.00 178.00 177.85 3cyn h ASP 193 N 0.84 0.96 0.18 -2.05 3.32 -1.78 -1.51 116.42 116.38 3cyn h ASP 193 Ca 0.35 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.18 3cyn h ASP 193 Cb 0.19 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.49 3cyn h ASP 193 CO -0.18 0.91 -0.09 0.40 -1.72 0.00 0.00 179.24 178.56 3cyn h ILE 194 N 0.96 0.87 -0.55 0.35 2.04 -1.19 -1.51 117.51 118.50 3cyn h ILE 194 Ca 0.22 -0.22 0.09 0.00 1.00 0.00 0.00 64.86 65.95 3cyn h ILE 194 Cb 0.28 1.01 -0.07 0.00 -0.74 0.00 0.00 36.82 37.30 3cyn h ILE 194 CO -0.01 0.05 0.14 0.00 0.00 0.00 0.00 178.15 178.33 3cyn h ALA 195 N 0.46 0.65 -0.48 1.87 0.00 -0.92 0.13 119.26 120.98 3cyn h ALA 195 Ca -0.02 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 3cyn h ALA 195 Cb 0.27 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3cyn h ALA 195 CO 0.04 -0.28 0.12 0.00 0.00 0.00 0.00 179.25 179.13 3cyn h ALA 196 N 1.41 0.63 -0.34 0.00 0.00 -1.20 -0.79 119.26 118.99 3cyn h ALA 196 Ca 0.28 -0.21 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 3cyn h ALA 196 Cb 0.37 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 3cyn h ALA 196 CO -0.34 0.32 -0.41 -0.07 0.00 0.00 0.00 179.25 178.76 3cyn h LEU 197 N 0.65 0.94 -0.93 0.00 4.07 -0.91 -3.09 115.31 116.05 3cyn h LEU 197 Ca 0.15 -0.49 -0.05 0.00 0.08 0.00 0.00 57.88 57.57 3cyn h LEU 197 Cb 0.33 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 3cyn h LEU 197 CO 0.00 1.24 0.21 0.58 -1.08 0.00 0.00 178.44 179.39 3cyn h VAL 198 N 0.66 1.24 -0.51 1.22 2.07 -0.69 -2.51 116.25 117.74 3cyn h VAL 198 Ca 0.04 -0.82 0.06 0.00 0.82 0.00 0.00 66.70 66.80 3cyn h VAL 198 Cb 1.00 0.51 -0.05 0.00 -1.52 0.00 0.00 31.29 31.23 3cyn h VAL 198 CO 0.10 0.32 0.22 -0.09 0.02 0.00 0.00 177.57 178.14 3cyn h ARG 199 N 0.97 0.42 -0.72 1.57 2.43 -1.12 -1.60 114.38 116.33 3cyn h ARG 199 Ca 0.22 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3cyn h ARG 199 Cb 0.26 -0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.69 3cyn h ARG 199 CO -0.01 0.28 0.24 1.96 -1.51 0.00 0.00 179.97 180.93 3cyn h GLN 200 N 0.43 1.09 -0.56 0.20 1.08 -1.43 -2.03 115.11 113.90 3cyn h GLN 200 Ca 0.23 -0.22 -0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3cyn h GLN 200 Cb 0.20 -0.17 -0.03 0.00 -0.05 0.00 0.00 27.48 27.43 3cyn h GLN 200 CO -0.20 0.92 0.30 0.28 -0.95 0.00 0.00 178.83 179.18 3cyn h VAL 201 N 1.06 1.19 -0.43 -0.54 2.07 -1.06 -1.79 116.25 116.75 3cyn h VAL 201 Ca 0.23 -0.48 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 3cyn h VAL 201 Cb 0.27 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 30.51 3cyn h VAL 201 CO -0.01 0.20 0.15 0.40 0.02 0.00 0.00 177.57 178.34 3cyn h ILE 202 N 0.75 1.21 -0.61 4.57 2.04 -1.06 -0.77 117.51 123.64 3cyn h ILE 202 Ca 0.20 -0.68 -0.02 0.00 1.00 0.00 0.00 64.86 65.36 3cyn h ILE 202 Cb 0.06 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 36.95 3cyn h ILE 202 CO -0.03 0.24 0.30 0.40 0.00 0.00 0.00 178.15 179.06 3cyn h ILE 203 N 0.55 1.21 -0.51 -0.67 2.04 -1.31 -2.47 117.51 116.36 3cyn h ILE 203 Ca 0.14 -0.59 -0.12 0.00 1.00 0.00 0.00 64.86 65.29 3cyn h ILE 203 Cb 0.23 0.48 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 3cyn h ILE 203 CO -0.01 0.24 -0.13 0.50 0.00 0.00 0.00 178.15 178.75 3cyn h LYS 204 N 0.83 0.99 -0.73 2.37 3.64 -1.13 -0.66 116.57 121.89 3cyn h LYS 204 Ca 0.21 -0.38 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 3cyn h LYS 204 Cb 0.11 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 31.84 3cyn h LYS 204 CO -0.03 1.06 0.32 0.87 -2.27 0.00 0.00 179.45 179.40 3cyn h LYS 205 N 0.85 1.06 -0.11 1.90 1.57 -1.06 -1.30 116.57 119.49 3cyn h LYS 205 Ca 0.13 -0.16 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3cyn h LYS 205 Cb 0.70 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.82 3cyn h LYS 205 CO 0.05 0.84 -0.07 0.87 -0.57 0.00 0.00 179.45 180.57 3cyn h LYS 206 N 1.04 0.24 0.07 3.15 1.57 -1.17 -3.38 116.57 118.10 3cyn h LYS 206 Ca 0.25 -0.11 -0.28 0.00 -1.87 0.00 0.00 60.65 58.64 3cyn h LYS 206 Cb 0.15 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3cyn h LYS 206 CO -0.03 0.62 -1.39 0.93 -0.57 0.00 0.00 179.45 179.01 3cyn h GLU 207 N -0.14 0.15 -5.86 3.15 5.08 -1.04 -3.46 114.58 112.46 3cyn h GLU 207 Ca 0.02 -0.26 -0.63 0.00 -1.00 0.00 0.00 59.36 57.49 3cyn h GLU 207 Cb 0.56 0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.85 3cyn h GLU 207 CO 0.02 1.01 -0.38 -0.51 -1.00 0.00 0.00 179.01 178.15 3cyn s ASP 208 N -6.80 6.52 0.00 1.42 1.01 -0.50 -5.08 116.67 113.24 3cyn s ASP 208 Ca -0.05 0.60 0.19 0.00 0.71 0.00 0.00 52.55 54.00 3cyn s ASP 208 Cb 0.08 -2.11 1.11 0.00 1.01 0.00 0.00 42.92 43.00 3cyn s ASP 208 CO 0.84 0.30 1.50 0.18 0.21 0.00 0.00 175.17 178.20