#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cyn h LEU 38 N 0.00 0.27 -1.88 -4.53 5.85 -2.07 -0.82 115.31 112.13 3cyn h LEU 38 Ca 0.00 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 3cyn h LEU 38 Cb 0.00 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 3cyn h LEU 38 CO 0.00 -0.02 -0.09 0.22 -0.34 0.00 0.00 178.44 178.22 3cyn h TYR 39 N 0.20 0.00 -0.75 1.25 3.20 -2.09 -2.94 116.97 115.85 3cyn h TYR 39 Ca 0.67 0.00 -0.53 0.00 3.14 0.00 0.00 58.73 62.01 3cyn h TYR 39 Cb 2.09 0.00 -0.43 0.00 1.54 0.00 0.00 36.73 39.93 3cyn h TYR 39 CO -0.00 0.09 -0.83 1.19 -1.64 0.00 0.00 178.16 176.96 3cyn n PHE 40 N -4.33 2.68 -0.04 -3.82 3.72 -0.32 -4.55 117.46 110.80 3cyn n PHE 40 Ca -0.03 -2.23 0.00 0.00 -0.05 0.00 0.00 57.45 55.14 3cyn n PHE 40 Cb 0.16 -0.33 0.00 0.00 -0.94 0.00 0.00 39.48 38.37 3cyn n PHE 40 CO 0.00 0.00 0.00 1.04 -0.05 0.00 0.00 176.76 177.75 3cyn n GLN 41 N -0.70 3.26 -1.52 -1.08 6.02 -1.11 -4.71 117.38 117.54 3cyn n GLN 41 Ca 0.42 -0.19 -0.20 0.00 -0.01 0.00 0.00 57.00 57.02 3cyn n GLN 41 Cb 0.96 -0.66 0.09 0.00 1.02 0.00 0.00 30.24 31.64 3cyn n GLN 41 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 3cyn n SER 42 N -0.52 4.72 -0.07 1.08 3.41 -1.26 -4.86 113.62 116.12 3cyn n SER 42 Ca 0.00 -3.78 -0.09 0.00 -0.26 0.00 0.00 58.87 54.74 3cyn n SER 42 Cb 0.01 -0.55 -0.06 0.00 -0.26 0.00 0.00 64.21 63.35 3cyn n SER 42 CO 0.00 0.00 0.00 0.24 -0.16 0.00 0.00 175.04 175.12 3cyn h MET 43 N 1.80 0.00 -5.08 4.33 2.86 -1.88 -3.43 114.93 113.54 3cyn h MET 43 Ca 0.36 0.00 -0.66 0.00 -2.06 0.00 0.00 59.70 57.34 3cyn h MET 43 Cb 1.39 0.00 -0.29 0.00 0.06 0.00 0.00 31.60 32.76 3cyn h MET 43 CO 0.80 0.44 -0.76 0.42 1.06 0.00 0.00 176.91 178.88 3cyn s ILE 44 N -2.08 3.08 -1.18 -1.22 -1.09 -1.26 -4.98 121.20 112.46 3cyn s ILE 44 Ca -0.15 -0.61 0.13 0.00 -2.23 0.00 0.00 60.65 57.79 3cyn s ILE 44 Cb 0.01 -2.36 0.00 0.00 -1.58 0.00 0.00 42.46 38.53 3cyn s ILE 44 CO 0.35 0.47 0.74 0.59 -1.23 0.00 0.00 174.94 175.85 3cyn n ASN 45 N 4.48 1.42 -3.82 3.58 4.13 -1.26 -5.02 115.26 118.78 3cyn n ASN 45 Ca -0.19 -1.21 -0.13 0.00 1.68 0.00 0.00 54.58 54.73 3cyn n ASN 45 Cb 0.51 0.45 -0.14 0.00 -1.54 0.00 0.00 39.78 39.06 3cyn n ASN 45 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 3cyn s SER 46 N -1.58 -0.05 0.38 6.41 0.15 -1.26 -4.34 113.70 113.41 3cyn s SER 46 Ca 0.11 0.15 0.11 0.00 0.70 0.00 0.00 55.95 57.02 3cyn s SER 46 Cb 0.10 0.11 0.77 0.00 -1.71 0.00 0.00 66.02 65.29 3cyn s SER 46 CO 0.31 -0.06 1.88 0.15 1.20 0.00 0.00 173.24 176.72 3cyn h PHE 47 N 6.47 0.12 0.00 3.44 3.57 -1.27 -3.13 116.94 126.15 3cyn h PHE 47 Ca -0.31 -0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.17 3cyn h PHE 47 Cb 1.18 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.89 3cyn h PHE 47 CO 0.43 0.36 0.00 0.66 -2.23 0.00 0.00 178.31 177.53 3cyn n TYR 48 N -4.20 0.00 0.39 0.41 4.01 -1.26 -3.05 117.16 113.47 3cyn n TYR 48 Ca -0.02 0.00 0.14 0.00 -0.16 0.00 0.00 57.90 57.86 3cyn n TYR 48 Cb 0.33 -0.28 0.46 0.00 -0.31 0.00 0.00 39.34 39.54 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 3.22 1.00 -2.28 -0.72 0.00 -1.85 -1.42 119.26 117.20 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 0.24 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 3cyn h ALA 49 CO 0.00 0.00 0.13 -0.06 0.00 0.00 0.00 179.25 179.32 3cyn s PHE 50 N -3.33 3.38 -0.08 0.00 0.08 -1.17 -4.88 117.98 111.99 3cyn s PHE 50 Ca 0.06 1.23 -0.10 0.00 0.12 0.00 0.00 56.93 58.24 3cyn s PHE 50 Cb 0.09 -2.55 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 3cyn s PHE 50 CO 0.54 0.04 0.25 -1.21 -0.10 0.00 0.00 175.22 174.73 3cyn s GLU 51 N -3.15 3.67 0.20 0.44 2.02 -1.26 -1.18 118.70 119.43 3cyn s GLU 51 Ca 0.55 0.08 0.02 0.00 0.02 0.00 0.00 54.97 55.63 3cyn s GLU 51 Cb -0.10 -3.22 -0.05 0.00 0.10 0.00 0.00 34.13 30.87 3cyn s GLU 51 CO 0.19 0.72 0.02 0.14 0.02 0.00 0.00 175.26 176.35 3cyn s VAL 52 N -0.96 0.68 0.01 2.63 -7.23 0.20 -4.89 120.40 110.86 3cyn s VAL 52 Ca 0.18 -1.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.17 3cyn s VAL 52 Cb -0.14 -2.27 -0.06 0.00 0.56 0.00 0.00 36.38 34.47 3cyn s VAL 52 CO 0.07 -0.34 0.54 -0.54 -0.31 0.00 0.00 175.10 174.53 3cyn s LYS 53 N -3.94 4.22 0.97 4.82 1.02 -1.26 -0.06 119.74 125.51 3cyn s LYS 53 Ca 0.28 0.66 -0.16 0.00 0.02 0.00 0.00 55.97 56.77 3cyn s LYS 53 Cb 0.06 -3.30 0.20 0.00 -0.52 0.00 0.00 37.83 34.28 3cyn s LYS 53 CO 0.07 0.50 1.29 0.16 -0.92 0.00 0.00 175.35 176.45 3cyn s ASP 54 N -0.58 3.04 0.56 2.83 1.47 0.36 -1.29 116.67 123.06 3cyn s ASP 54 Ca 0.29 0.35 0.26 0.00 1.18 0.00 0.00 52.55 54.62 3cyn s ASP 54 Cb -0.18 -0.45 1.64 0.00 -0.34 0.00 0.00 42.92 43.58 3cyn s ASP 54 CO 0.17 -2.79 2.21 0.00 0.68 0.00 0.00 175.17 175.44 3cyn h ALA 55 N -1.68 1.64 -0.05 2.11 0.00 -1.76 -0.72 119.26 118.81 3cyn h ALA 55 Ca -0.45 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.45 3cyn h ALA 55 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.04 3cyn h ALA 55 CO 0.40 0.01 0.00 1.63 0.00 0.00 0.00 179.25 181.30 3cyn n LYS 56 N -4.03 1.62 -0.40 0.00 5.02 -1.26 -3.46 118.16 115.65 3cyn n LYS 56 Ca -0.03 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.35 3cyn n LYS 56 Cb 0.10 -1.46 0.00 0.00 -0.02 0.00 0.00 35.03 33.65 3cyn n LYS 56 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cyn n GLY 57 N 1.14 0.75 3.79 0.72 0.00 -0.28 -5.06 105.19 106.25 3cyn n GLY 57 Ca 0.19 0.00 -0.39 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 -0.60 4.48 0.13 1.61 0.52 -1.26 -4.76 118.95 119.08 3cyn s ARG 58 Ca 0.00 1.07 -0.31 0.00 -0.52 0.00 0.00 55.73 55.97 3cyn s ARG 58 Cb 0.00 -3.22 -0.08 0.00 0.52 0.00 0.00 34.95 32.17 3cyn s ARG 58 CO 0.00 0.57 1.33 0.99 0.02 0.00 0.00 175.30 178.21 3cyn s THR 59 N -1.18 3.41 -0.02 0.02 2.01 -1.26 -0.49 115.64 118.13 3cyn s THR 59 Ca 0.35 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.44 3cyn s THR 59 Cb -0.22 -3.68 -0.00 0.00 0.01 0.00 0.00 72.50 68.61 3cyn s THR 59 CO 0.25 0.11 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.47 3cyn s VAL 60 N 0.78 1.04 -0.06 3.82 1.01 0.92 -4.90 120.40 123.00 3cyn s VAL 60 Ca 0.61 -0.53 -0.18 0.00 0.00 0.00 0.00 61.98 61.88 3cyn s VAL 60 Cb -0.35 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.09 3cyn s VAL 60 CO 0.32 0.30 0.49 -0.55 0.00 0.00 0.00 175.10 175.67 3cyn s SER 61 N -0.07 6.80 0.00 3.32 0.15 -1.26 -0.63 113.70 122.01 3cyn s SER 61 Ca 0.00 0.95 0.26 0.00 0.70 0.00 0.00 55.95 57.86 3cyn s SER 61 Cb -0.08 -2.30 1.51 0.00 -1.71 0.00 0.00 66.02 63.44 3cyn s SER 61 CO 0.00 0.10 1.91 0.18 1.20 0.00 0.00 173.24 176.64 3cyn n LEU 62 N 2.98 0.00 0.27 3.45 4.77 -0.33 -3.47 117.00 124.66 3cyn n LEU 62 Ca -0.09 0.07 0.15 0.00 -0.03 0.00 0.00 56.01 56.12 3cyn n LEU 62 Cb 0.52 -0.07 0.87 0.00 -2.33 0.00 0.00 43.42 42.40 3cyn n LEU 62 CO 0.42 -0.01 1.13 -0.33 -1.33 0.00 0.00 177.39 177.27 3cyn h GLU 63 N 0.00 0.00 0.00 3.23 5.08 -1.48 -1.73 114.58 119.68 3cyn h GLU 63 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3cyn h GLU 63 Cb 0.06 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3cyn h GLU 63 CO 0.00 0.00 0.00 1.57 -1.00 0.00 0.00 179.01 179.58 3cyn h LYS 64 N 0.00 0.00 -0.01 2.33 2.10 -1.86 -1.86 116.57 117.27 3cyn h LYS 64 Ca 0.03 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.68 3cyn h LYS 64 Cb 0.15 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.48 3cyn h LYS 64 CO -0.00 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 177.97 3cyn n TYR 65 N -3.05 0.00 -1.66 0.07 4.01 -0.65 -4.94 117.16 110.93 3cyn n TYR 65 Ca -0.02 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.27 3cyn n TYR 65 Cb 0.14 -0.04 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 3cyn n TYR 65 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 3cyn n LYS 66 N 0.01 1.95 -0.29 -0.72 5.02 -0.70 -1.10 118.16 122.32 3cyn n LYS 66 Ca 0.15 0.69 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 3cyn n LYS 66 Cb 0.40 -2.33 0.00 0.00 -0.02 0.00 0.00 35.03 33.07 3cyn n LYS 66 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3cyn n GLY 67 N 2.09 1.20 3.73 0.72 0.00 0.88 -5.04 105.19 108.78 3cyn n GLY 67 Ca 0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.44 2.63 0.01 1.61 1.02 -0.26 -4.78 119.74 119.52 3cyn s LYS 68 Ca 0.00 -1.07 -0.25 0.00 0.02 0.00 0.00 55.97 54.67 3cyn s LYS 68 Cb 0.00 -2.45 -0.05 0.00 -0.52 0.00 0.00 37.83 34.81 3cyn s LYS 68 CO 0.00 0.44 0.77 0.08 -0.92 0.00 0.00 175.35 175.72 3cyn s VAL 69 N -1.89 4.84 -0.05 3.17 1.01 -0.53 -2.89 120.40 124.06 3cyn s VAL 69 Ca 0.30 1.63 0.04 0.00 0.00 0.00 0.00 61.98 63.95 3cyn s VAL 69 Cb -0.09 -4.12 -0.00 0.00 0.00 0.00 0.00 36.38 32.17 3cyn s VAL 69 CO 0.21 0.31 -0.17 -0.44 0.00 0.00 0.00 175.10 175.01 3cyn s SER 70 N 0.32 2.22 -0.41 3.32 0.01 -0.45 -1.23 113.70 117.47 3cyn s SER 70 Ca 0.40 -0.37 -0.15 0.00 1.31 0.00 0.00 55.95 57.14 3cyn s SER 70 Cb -0.20 -0.70 0.02 0.00 0.21 0.00 0.00 66.02 65.36 3cyn s SER 70 CO 0.22 0.14 0.31 -0.22 0.41 0.00 0.00 173.24 174.10 3cyn s LEU 71 N 0.13 5.08 -0.18 2.44 2.96 -0.26 -0.31 118.68 128.54 3cyn s LEU 71 Ca -0.06 -0.87 -0.12 0.00 -0.22 0.00 0.00 54.13 52.86 3cyn s LEU 71 Cb -0.13 -2.17 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 3cyn s LEU 71 CO 0.03 -0.45 0.22 -0.69 -1.32 0.00 0.00 176.35 174.13 3cyn s VAL 72 N 1.71 5.36 -0.02 1.68 1.01 0.54 -1.02 120.40 129.66 3cyn s VAL 72 Ca 0.05 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.42 3cyn s VAL 72 Cb -0.19 -3.56 0.02 0.00 0.00 0.00 0.00 36.38 32.66 3cyn s VAL 72 CO 0.10 0.41 0.01 -0.69 0.00 0.00 0.00 175.10 174.94 3cyn s VAL 73 N 0.42 0.04 -0.18 2.92 1.01 -0.85 -0.35 120.40 123.41 3cyn s VAL 73 Ca 0.12 0.11 -0.27 0.00 0.00 0.00 0.00 61.98 61.95 3cyn s VAL 73 Cb -0.12 -0.13 -0.01 0.00 0.00 0.00 0.00 36.38 36.12 3cyn s VAL 73 CO 0.01 0.09 0.90 0.54 0.00 0.00 0.00 175.10 176.64 3cyn s ASN 74 N 0.76 7.01 0.37 3.32 4.22 -1.15 -0.98 114.94 128.49 3cyn s ASN 74 Ca -0.07 1.25 0.08 0.00 -2.14 0.00 0.00 52.86 51.99 3cyn s ASN 74 Cb -0.10 -2.49 -0.04 0.00 1.28 0.00 0.00 41.25 39.90 3cyn s ASN 74 CO -0.02 -0.48 0.16 0.68 -2.04 0.00 0.00 177.10 175.40 3cyn s VAL 75 N 2.45 2.77 -0.15 3.54 -7.23 -0.45 0.19 120.40 121.52 3cyn s VAL 75 Ca 0.41 -1.68 -0.27 0.00 -1.81 0.00 0.00 61.98 58.62 3cyn s VAL 75 Cb -0.16 -2.97 0.07 0.00 0.56 0.00 0.00 36.38 33.87 3cyn s VAL 75 CO 0.11 -0.12 0.68 0.00 -0.31 0.00 0.00 175.10 175.46 3cyn s ALA 76 N -2.48 -1.72 -0.17 1.32 0.00 -1.26 -2.18 121.76 115.27 3cyn s ALA 76 Ca 0.39 1.61 0.22 0.00 0.00 0.00 0.00 51.96 54.18 3cyn s ALA 76 Cb -0.01 -0.56 -0.14 0.00 0.00 0.00 0.00 23.12 22.41 3cyn s ALA 76 CO 0.23 -0.35 0.81 0.43 0.00 0.00 0.00 175.76 176.88 3cyn n SER 77 N 1.81 0.49 -3.11 0.00 7.64 -0.90 -4.61 113.62 114.94 3cyn n SER 77 Ca -0.17 0.17 -0.26 0.00 1.01 0.00 0.00 58.87 59.62 3cyn n SER 77 Cb 0.56 1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 64.81 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 -2.47 3.81 -3.81 6.43 2.03 -0.06 -4.91 116.55 117.57 3cyn n ASP 78 Ca -0.02 -3.52 -0.12 0.00 0.52 0.00 0.00 54.79 51.65 3cyn n ASP 78 Cb 0.55 -0.60 -0.10 0.00 -0.72 0.00 0.00 41.12 40.25 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 4.84 0.36 -0.01 0.00 4.15 -1.97 -1.65 115.11 120.82 3cyn h GLN 80 Ca -0.28 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.12 3cyn h GLN 80 Cb 1.19 -0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.80 3cyn h GLN 80 CO 0.38 0.24 -0.10 1.28 -1.93 0.00 0.00 178.83 178.70 3cyn n LEU 81 N -4.49 0.69 0.18 -2.39 4.77 -1.26 -4.46 117.00 110.05 3cyn n LEU 81 Ca 0.19 -0.13 -0.14 0.00 -0.03 0.00 0.00 56.01 55.89 3cyn n LEU 81 Cb 0.71 -0.11 -0.07 0.00 -2.33 0.00 0.00 43.42 41.61 3cyn n LEU 81 CO 0.31 0.12 0.67 0.74 -1.33 0.00 0.00 177.39 177.90 3cyn h THR 82 N 0.94 0.37 0.09 -5.08 2.02 -1.56 -2.28 112.91 107.41 3cyn h THR 82 Ca 0.00 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.18 3cyn h THR 82 Cb 0.36 0.37 0.00 0.00 -1.74 0.00 0.00 68.15 67.14 3cyn h THR 82 CO 0.00 0.00 -0.04 -0.78 0.37 0.00 0.00 175.52 175.07 3cyn h ASP 83 N -0.61 -0.10 -0.14 4.18 3.58 -1.80 -1.39 116.42 120.15 3cyn h ASP 83 Ca -0.01 -0.07 -0.06 0.00 0.42 0.00 0.00 57.03 57.32 3cyn h ASP 83 Cb 0.57 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.63 3cyn h ASP 83 CO -0.08 0.01 -0.07 0.08 -2.88 0.00 0.00 179.24 176.30 3cyn h ARG 84 N -0.20 0.44 -0.04 0.28 0.11 -1.84 -2.05 114.38 111.09 3cyn h ARG 84 Ca -0.01 -0.10 -0.05 0.00 0.10 0.00 0.00 59.98 59.91 3cyn h ARG 84 Cb 0.16 -0.06 0.00 0.00 1.11 0.00 0.00 29.97 31.19 3cyn h ARG 84 CO 0.02 0.52 -0.19 -0.91 0.10 0.00 0.00 179.97 179.52 3cyn h ASN 85 N 0.42 0.24 -0.83 0.08 2.35 -1.26 -1.04 115.58 115.54 3cyn h ASN 85 Ca 0.09 -0.65 0.06 0.00 -0.55 0.00 0.00 56.30 55.24 3cyn h ASN 85 Cb 0.38 -0.07 -0.06 0.00 0.05 0.00 0.00 38.32 38.63 3cyn h ASN 85 CO 0.02 0.85 0.51 1.88 -1.65 0.00 0.00 177.43 179.04 3cyn h TYR 86 N -0.36 0.95 -0.41 1.19 -1.99 -1.19 0.11 116.97 115.26 3cyn h TYR 86 Ca -0.01 0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.73 3cyn h TYR 86 Cb 0.84 -0.31 -0.02 0.00 2.00 0.00 0.00 36.73 39.25 3cyn h TYR 86 CO 0.14 0.49 0.19 -0.07 -0.00 0.00 0.00 178.16 178.91 3cyn h LEU 87 N 0.94 0.55 -0.35 3.88 3.38 -1.39 -0.73 115.31 121.59 3cyn h LEU 87 Ca 0.36 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 58.14 3cyn h LEU 87 Cb 0.15 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 3cyn h LEU 87 CO -0.17 0.53 0.01 1.23 0.09 0.00 0.00 178.44 180.14 3cyn h GLY 88 N 0.52 0.65 1.21 0.83 0.00 -0.82 -2.22 103.07 103.25 3cyn h GLY 88 Ca 0.14 -0.47 -0.09 0.00 0.00 0.00 0.00 47.33 46.91 3cyn h GLY 88 CO -0.02 0.43 -0.00 1.41 0.00 0.00 0.00 176.54 178.36 3cyn h LEU 89 N 0.42 0.92 -0.85 3.11 3.38 -0.75 -0.99 115.31 120.55 3cyn h LEU 89 Ca 0.10 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.87 3cyn h LEU 89 Cb 0.43 -0.25 -0.06 0.00 0.09 0.00 0.00 40.66 40.88 3cyn h LEU 89 CO 0.02 0.98 0.54 0.50 0.09 0.00 0.00 178.44 180.57 3cyn h LYS 90 N 0.87 0.99 -0.28 1.13 3.64 -1.07 -0.58 116.57 121.27 3cyn h LYS 90 Ca 0.16 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 59.31 3cyn h LYS 90 Cb 0.52 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 32.11 3cyn h LYS 90 CO 0.03 0.66 -0.48 0.93 -2.27 0.00 0.00 179.45 178.32 3cyn h GLU 91 N 1.02 0.81 -0.34 1.90 4.39 -0.74 0.30 114.58 121.93 3cyn h GLU 91 Ca 0.36 -0.50 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 3cyn h GLU 91 Cb 0.08 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 3cyn h GLU 91 CO -0.14 1.14 0.16 -0.07 -1.16 0.00 0.00 179.01 178.94 3cyn h LEU 92 N 0.58 0.46 -0.49 1.33 3.38 -1.06 -0.80 115.31 118.71 3cyn h LEU 92 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 3cyn h LEU 92 Cb 1.08 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 3cyn h LEU 92 CO 0.11 0.46 0.31 -0.74 0.09 0.00 0.00 178.44 178.67 3cyn h HIS 93 N 0.42 0.63 -0.45 1.13 2.76 -1.00 -0.68 115.15 117.95 3cyn h HIS 93 Ca 0.12 0.00 -0.07 0.00 -2.20 0.00 0.00 60.37 58.23 3cyn h HIS 93 Cb 0.13 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 3cyn h HIS 93 CO -0.01 0.42 0.01 0.87 -1.30 0.00 0.00 177.93 177.92 3cyn h LYS 94 N 0.65 0.74 -0.18 5.26 1.57 -0.82 0.17 116.57 123.96 3cyn h LYS 94 Ca 0.18 -0.18 -0.13 0.00 -1.87 0.00 0.00 60.65 58.64 3cyn h LYS 94 Cb -0.04 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.18 3cyn h LYS 94 CO -0.04 0.74 -0.41 1.49 -0.57 0.00 0.00 179.45 180.67 3cyn h GLU 95 N 0.69 0.59 0.00 3.15 4.81 -0.81 -3.39 114.58 119.63 3cyn h GLU 95 Ca 0.14 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 3cyn h GLU 95 Cb 0.41 0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.85 3cyn h GLU 95 CO 0.02 1.01 -1.60 1.19 -0.73 0.00 0.00 179.01 178.90 3cyn n PHE 96 N -4.25 0.00 -2.52 0.92 3.01 -0.29 -5.03 117.46 109.30 3cyn n PHE 96 Ca -0.06 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.23 3cyn n PHE 96 Cb 0.54 -0.31 0.09 0.00 -0.01 0.00 0.00 39.48 39.79 3cyn n PHE 96 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3cyn n GLY 97 N 1.68 0.69 0.06 1.37 0.00 0.61 -4.03 105.19 105.56 3cyn n GLY 97 Ca -0.02 -2.01 0.11 0.00 0.00 0.00 0.00 46.02 44.10 3cyn n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3cyn n PRO 98 N -2.35 0.44 -0.13 1.61 -0.04 -1.26 -4.86 135.00 128.40 3cyn n PRO 98 Ca 0.12 0.03 -0.12 0.00 -0.04 0.00 0.00 63.50 63.49 3cyn n PRO 98 Cb 0.43 -1.68 -0.02 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.00 0.95 -0.00 3.54 0.02 -1.97 -3.34 113.55 112.74 3cyn h SER 99 Ca 0.00 -0.44 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 3cyn h SER 99 Cb 0.85 -0.27 0.00 0.00 0.14 0.00 0.00 62.40 63.13 3cyn h SER 99 CO 0.00 1.19 -0.03 1.41 -1.14 0.00 0.00 176.83 178.25 3cyn n HIS 100 N -4.13 0.00 -3.75 3.45 8.25 -1.26 -4.90 115.22 112.87 3cyn n HIS 100 Ca -0.02 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.31 3cyn n HIS 100 Cb 0.49 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.50 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 -0.54 -0.38 0.04 4.41 5.36 -1.25 -1.45 117.98 124.17 3cyn s PHE 101 Ca 0.04 0.92 0.00 0.00 -0.96 0.00 0.00 56.93 56.94 3cyn s PHE 101 Cb 0.03 0.13 -0.03 0.00 -0.34 0.00 0.00 43.02 42.82 3cyn s PHE 101 CO 0.07 -0.18 -0.04 0.45 -1.46 0.00 0.00 175.22 174.05 3cyn s SER 102 N 0.17 0.51 -0.15 6.13 0.15 -0.37 -4.27 113.70 115.87 3cyn s SER 102 Ca -0.00 -0.65 -0.17 0.00 0.70 0.00 0.00 55.95 55.83 3cyn s SER 102 Cb -0.02 0.10 -0.04 0.00 -1.71 0.00 0.00 66.02 64.35 3cyn s SER 102 CO 0.01 -0.35 0.44 -0.69 1.20 0.00 0.00 173.24 173.85 3cyn s VAL 103 N -2.08 5.20 -0.33 4.45 1.01 -1.26 -1.10 120.40 126.29 3cyn s VAL 103 Ca -0.08 0.85 -0.01 0.00 0.00 0.00 0.00 61.98 62.73 3cyn s VAL 103 Cb -0.05 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.62 3cyn s VAL 103 CO -0.03 0.31 0.05 -0.76 0.00 0.00 0.00 175.10 174.67 3cyn s LEU 104 N 0.83 4.25 -0.25 3.92 1.43 -0.19 -3.74 118.68 124.94 3cyn s LEU 104 Ca 0.23 -1.51 -0.10 0.00 -1.03 0.00 0.00 54.13 51.71 3cyn s LEU 104 Cb -0.15 -1.73 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3cyn s LEU 104 CO 0.09 -0.33 0.16 0.00 0.23 0.00 0.00 176.35 176.49 3cyn s ALA 105 N 1.20 3.54 -0.34 4.21 0.00 -0.85 -2.00 121.76 127.52 3cyn s ALA 105 Ca -0.01 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 3cyn s ALA 105 Cb -0.20 -2.33 0.08 0.00 0.00 0.00 0.00 23.12 20.67 3cyn s ALA 105 CO -0.02 -0.30 0.06 -0.06 0.00 0.00 0.00 175.76 175.44 3cyn s PHE 106 N 1.26 3.45 0.61 0.00 0.08 -0.15 -1.05 117.98 122.18 3cyn s PHE 106 Ca 0.07 -2.27 -0.18 0.00 0.12 0.00 0.00 56.93 54.66 3cyn s PHE 106 Cb -0.14 -2.56 -0.03 0.00 -0.57 0.00 0.00 43.02 39.72 3cyn s PHE 106 CO 0.06 -0.89 1.24 -2.14 -0.10 0.00 0.00 175.22 173.40 3cyn s PRO 107 N 1.15 2.80 -0.24 0.24 0.02 -1.26 -1.34 135.00 136.37 3cyn s PRO 107 Ca 0.01 1.92 -0.15 0.00 0.02 0.00 0.00 61.00 62.80 3cyn s PRO 107 Cb -0.21 -1.90 0.07 0.00 0.02 0.00 0.00 34.50 32.49 3cyn s PRO 107 CO -0.04 -1.36 0.60 0.00 -0.33 0.00 0.00 177.00 175.87 3cyn n ASN 109 N 3.94 4.87 -0.68 0.00 5.15 -1.26 -4.17 115.26 123.10 3cyn n ASN 109 Ca -0.19 -2.65 0.13 0.00 -0.60 0.00 0.00 54.58 51.26 3cyn n ASN 109 Cb 0.57 -0.59 0.36 0.00 -0.53 0.00 0.00 39.78 39.59 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 0.72 1.93 -3.92 1.20 6.02 -1.26 -3.55 117.38 118.53 3cyn n GLN 110 Ca 0.25 -1.37 -0.30 0.00 -0.01 0.00 0.00 57.00 55.57 3cyn n GLN 110 Cb 0.97 -1.46 -0.14 0.00 1.02 0.00 0.00 30.24 30.62 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 -1.91 3.07 -1.55 1.08 0.08 -1.26 -4.69 117.98 112.79 3cyn s PHE 111 Ca 0.34 -2.86 0.00 0.00 0.12 0.00 0.00 56.93 54.53 3cyn s PHE 111 Cb 0.20 -2.61 0.00 0.00 -0.57 0.00 0.00 43.02 40.04 3cyn s PHE 111 CO 0.31 -0.84 0.00 0.41 -0.10 0.00 0.00 175.22 175.01 3cyn n GLY 112 N 3.75 0.78 3.97 4.36 0.00 -1.26 -3.10 105.19 113.69 3cyn n GLY 112 Ca 0.04 -0.24 -0.28 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.54 -2.62 -0.13 1.61 1.02 -1.23 -4.86 120.64 111.89 3cyn n GLU 113 Ca -0.17 0.36 0.11 0.00 -0.02 0.00 0.00 57.16 57.44 3cyn n GLU 113 Cb 0.58 -4.27 0.28 0.00 -0.02 0.00 0.00 31.44 28.01 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 -2.90 2.64 -3.19 1.62 7.64 -1.18 -4.23 113.62 114.03 3cyn n SER 114 Ca -0.28 -1.87 -0.22 0.00 1.01 0.00 0.00 58.87 57.51 3cyn n SER 114 Cb 0.67 -0.17 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 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 0.97 1.37 0.22 1.43 4.07 -1.26 -0.88 120.64 126.56 3cyn n GLU 115 Ca 0.18 -3.68 0.11 0.00 -0.06 0.00 0.00 57.16 53.70 3cyn n GLU 115 Cb 0.48 -1.67 0.37 0.00 -0.06 0.00 0.00 31.44 30.57 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 3.50 0.00 -7.28 5.31 0.13 -1.94 -3.40 132.00 128.32 3cyn h PRO 116 Ca 0.11 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.74 3cyn h PRO 116 Cb 0.84 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.02 3cyn h PRO 116 CO 0.57 0.17 0.39 1.03 -0.23 0.00 0.00 178.00 179.94 3cyn s ARG 117 N -3.44 3.61 0.74 0.86 1.81 -1.26 -5.03 118.95 116.24 3cyn s ARG 117 Ca 0.03 0.90 -0.15 0.00 -1.72 0.00 0.00 55.73 54.78 3cyn s ARG 117 Cb 0.08 -2.08 0.04 0.00 -0.45 0.00 0.00 34.95 32.54 3cyn s ARG 117 CO 0.64 -0.56 1.22 -2.30 -0.68 0.00 0.00 175.30 173.62 3cyn n PRO 118 N -2.30 0.56 -0.32 3.54 -0.02 -1.26 -4.73 135.00 130.47 3cyn n PRO 118 Ca 0.07 0.26 0.09 0.00 -2.02 0.00 0.00 63.50 61.89 3cyn n PRO 118 Cb 0.54 -2.46 0.25 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 -0.31 0.68 -0.63 2.55 0.02 -1.96 -0.92 113.55 112.97 3cyn h SER 119 Ca -0.48 0.08 -0.07 0.00 -0.84 0.00 0.00 61.79 60.48 3cyn h SER 119 Cb 1.32 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.80 3cyn h SER 119 CO 0.49 0.29 0.13 0.50 -1.14 0.00 0.00 176.83 177.09 3cyn h LYS 120 N 0.73 1.05 -0.25 3.45 3.64 -1.91 -2.30 116.57 120.99 3cyn h LYS 120 Ca 0.50 -0.26 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3cyn h LYS 120 Cb 0.69 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 32.36 3cyn h LYS 120 CO -0.35 0.95 -0.32 0.93 -2.27 0.00 0.00 179.45 178.39 3cyn h GLU 121 N 0.99 0.52 -0.37 1.90 5.08 -1.56 -2.55 114.58 118.59 3cyn h GLU 121 Ca 0.20 -0.23 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3cyn h GLU 121 Cb 0.40 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 3cyn h GLU 121 CO 0.01 0.78 0.23 0.28 -1.00 0.00 0.00 179.01 179.31 3cyn h VAL 122 N 0.44 1.12 -0.59 3.13 2.07 -0.93 0.19 116.25 121.68 3cyn h VAL 122 Ca 0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 3cyn h VAL 122 Cb 0.78 0.62 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3cyn h VAL 122 CO 0.06 0.12 0.36 -0.08 0.02 0.00 0.00 177.57 178.05 3cyn h GLU 123 N 0.49 0.80 -0.22 1.57 4.81 -1.38 -1.99 114.58 118.67 3cyn h GLU 123 Ca 0.13 -0.07 -0.13 0.00 -0.13 0.00 0.00 59.36 59.16 3cyn h GLU 123 Cb -0.01 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.19 3cyn h GLU 123 CO -0.03 0.57 -0.41 0.66 -0.73 0.00 0.00 179.01 179.07 3cyn h SER 124 N 0.80 0.54 -0.22 1.04 4.64 -1.14 -1.89 113.55 117.31 3cyn h SER 124 Ca 0.21 -0.24 0.06 0.00 -0.47 0.00 0.00 61.79 61.35 3cyn h SER 124 Cb -0.03 -0.15 -0.06 0.00 -0.31 0.00 0.00 62.40 61.85 3cyn h SER 124 CO -0.04 0.89 -0.21 0.15 -0.87 0.00 0.00 176.83 176.75 3cyn h PHE 125 N 0.42 -0.56 -0.35 4.77 3.57 -0.40 0.18 116.94 124.57 3cyn h PHE 125 Ca 0.04 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 3cyn h PHE 125 Cb 0.90 0.28 -0.02 0.00 2.79 0.00 0.00 35.95 39.90 3cyn h PHE 125 CO 0.03 -0.29 0.19 0.00 -2.23 0.00 0.00 178.31 176.01 3cyn h ALA 126 N 0.84 0.45 -0.26 2.41 0.00 -1.16 -1.12 119.26 120.43 3cyn h ALA 126 Ca 0.13 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 3cyn h ALA 126 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3cyn h ALA 126 CO -0.35 -0.01 -0.05 0.00 0.00 0.00 0.00 179.25 178.83 3cyn h ARG 127 N 0.44 0.49 -0.25 0.00 2.47 -1.17 -1.04 114.38 115.32 3cyn h ARG 127 Ca 0.12 -0.18 -0.06 0.00 -1.26 0.00 0.00 59.98 58.60 3cyn h ARG 127 Cb 0.07 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.35 3cyn h ARG 127 CO -0.02 0.70 -0.06 -0.22 0.56 0.00 0.00 179.97 180.93 3cyn h LYS 128 N 0.25 0.49 0.00 0.04 1.63 -0.56 -0.34 116.57 118.07 3cyn h LYS 128 Ca 0.07 -0.19 -0.13 0.00 -0.85 0.00 0.00 60.65 59.55 3cyn h LYS 128 Cb 0.52 -0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 32.10 3cyn h LYS 128 CO 0.02 0.71 -1.23 -0.91 -3.45 0.00 0.00 179.45 174.60 3cyn h ASN 129 N 0.23 0.00 0.00 4.20 -0.26 -1.26 -3.40 115.58 115.09 3cyn h ASN 129 Ca 0.06 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.80 3cyn h ASN 129 Cb 0.53 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.79 3cyn h ASN 129 CO 0.03 0.46 -0.36 -1.22 -1.06 0.00 0.00 177.43 175.27 3cyn n TYR 130 N -2.89 0.00 -2.41 1.19 4.01 -0.41 -5.02 117.16 111.64 3cyn n TYR 130 Ca -0.07 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.48 3cyn n TYR 130 Cb 0.77 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.80 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 1.44 -0.44 3.78 2.72 0.00 -0.14 -4.97 105.19 107.59 3cyn n GLY 131 Ca 0.00 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.98 3.74 -0.66 1.61 -7.23 -1.25 -4.96 120.40 108.66 3cyn s VAL 132 Ca 0.02 1.39 0.06 0.00 -1.81 0.00 0.00 61.98 61.63 3cyn s VAL 132 Cb -0.01 -3.74 0.07 0.00 0.56 0.00 0.00 36.38 33.26 3cyn s VAL 132 CO 0.02 0.06 0.78 0.35 -0.31 0.00 0.00 175.10 176.01 3cyn n THR 133 N 0.14 0.23 -2.27 5.32 -2.24 -1.26 -4.64 114.28 109.55 3cyn n THR 133 Ca 0.04 -0.61 -0.33 0.00 -2.27 0.00 0.00 64.05 60.88 3cyn n THR 133 Cb 0.49 0.98 -0.02 0.00 -2.10 0.00 0.00 70.33 69.68 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 -0.59 3.19 0.22 4.78 -0.71 -1.26 -4.98 117.98 118.62 3cyn s PHE 134 Ca 0.08 1.50 -0.31 0.00 -1.04 0.00 0.00 56.93 57.17 3cyn s PHE 134 Cb 0.05 -2.92 -0.10 0.00 -1.21 0.00 0.00 43.02 38.84 3cyn s PHE 134 CO 0.07 -0.74 1.49 -1.25 -1.34 0.00 0.00 175.22 173.45 3cyn s PRO 135 N -3.95 4.24 -0.31 1.99 0.04 -1.25 -4.96 135.00 130.80 3cyn s PRO 135 Ca 0.62 2.33 -0.05 0.00 0.04 0.00 0.00 61.00 63.93 3cyn s PRO 135 Cb -0.13 -3.12 0.03 0.00 0.04 0.00 0.00 34.50 31.31 3cyn s PRO 135 CO 0.32 -0.49 0.07 0.42 0.04 0.00 0.00 177.00 177.35 3cyn s ILE 136 N 0.41 3.64 0.86 0.56 -1.09 -1.26 -2.01 121.20 122.31 3cyn s ILE 136 Ca 0.63 -1.05 -0.08 0.00 -2.23 0.00 0.00 60.65 57.93 3cyn s ILE 136 Cb -0.43 -3.00 0.18 0.00 -1.58 0.00 0.00 42.46 37.64 3cyn s ILE 136 CO 0.39 -0.07 1.17 -0.36 -1.23 0.00 0.00 174.94 174.84 3cyn s PHE 137 N 1.40 1.29 0.63 3.97 0.08 -0.22 -3.68 117.98 121.45 3cyn s PHE 137 Ca -0.01 -0.11 -0.18 0.00 0.12 0.00 0.00 56.93 56.74 3cyn s PHE 137 Cb -0.19 -3.54 -0.02 0.00 -0.57 0.00 0.00 43.02 38.70 3cyn s PHE 137 CO 0.02 -2.29 1.27 -1.58 -0.10 0.00 0.00 175.22 172.54 3cyn s HIS 138 N -3.53 2.18 0.36 0.36 2.46 -0.41 -4.38 115.29 112.34 3cyn s HIS 138 Ca 0.72 1.49 -0.28 0.00 0.47 0.00 0.00 55.06 57.46 3cyn s HIS 138 Cb -0.03 -3.63 -0.11 0.00 -0.13 0.00 0.00 32.58 28.67 3cyn s HIS 138 CO 0.49 -2.70 1.45 1.17 -2.47 0.00 0.00 174.74 172.68 3cyn n LYS 139 N -1.78 2.54 -4.37 2.88 4.81 -1.26 -4.30 118.16 116.68 3cyn n LYS 139 Ca 0.15 0.89 -0.19 0.00 -0.87 0.00 0.00 58.31 58.29 3cyn n LYS 139 Cb 0.48 -2.59 -0.10 0.00 0.02 0.00 0.00 35.03 32.84 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 -1.03 1.09 0.00 3.15 -4.36 -0.23 -4.98 121.20 114.85 3cyn s ILE 140 Ca 0.54 -2.03 -0.07 0.00 -0.26 0.00 0.00 60.65 58.84 3cyn s ILE 140 Cb -0.50 -2.52 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 3cyn s ILE 140 CO 0.62 -0.19 0.27 -0.54 0.24 0.00 0.00 174.94 175.34 3cyn s LYS 141 N -3.88 3.59 -0.03 0.37 1.02 -1.26 -4.34 119.74 115.21 3cyn s LYS 141 Ca 0.32 -0.06 -0.01 0.00 0.02 0.00 0.00 55.97 56.24 3cyn s LYS 141 Cb 0.07 -3.08 -0.01 0.00 -0.52 0.00 0.00 37.83 34.28 3cyn s LYS 141 CO 0.12 0.65 -0.03 -0.89 -0.92 0.00 0.00 175.35 174.28 3cyn n ILE 142 N 1.16 0.15 -2.77 2.17 5.41 -1.26 -0.76 119.36 123.46 3cyn n ILE 142 Ca -0.12 -0.05 -0.31 0.00 1.00 0.00 0.00 62.75 63.28 3cyn n ILE 142 Cb 0.53 -1.13 -0.04 0.00 -0.71 0.00 0.00 39.64 38.29 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 -5.72 3.80 0.00 1.39 1.43 -1.26 -4.56 118.68 113.77 3cyn s LEU 143 Ca -0.04 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3cyn s LEU 143 Cb 0.01 -4.16 0.00 0.00 0.03 0.00 0.00 46.19 42.08 3cyn s LEU 143 CO 0.05 -0.43 0.00 0.61 0.23 0.00 0.00 176.35 176.82 3cyn n GLY 144 N -1.26 -2.62 0.21 -3.19 0.00 -1.26 -4.15 105.19 92.92 3cyn n GLY 144 Ca 0.04 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.52 1.61 4.64 -2.02 -2.89 113.55 114.37 3cyn h SER 145 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3cyn h SER 145 Cb 0.00 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.05 3cyn h SER 145 CO 0.00 0.27 0.09 -0.62 -0.87 0.00 0.00 176.83 175.70 3cyn n GLU 146 N -4.00 3.76 -1.83 4.77 4.71 -1.26 -4.98 120.64 121.81 3cyn n GLU 146 Ca -0.02 -2.49 -0.42 0.00 -0.01 0.00 0.00 57.16 54.22 3cyn n GLU 146 Cb 0.34 -2.09 -0.02 0.00 -1.01 0.00 0.00 31.44 28.66 3cyn n GLU 146 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 3cyn s GLY 147 N -0.65 1.88 -0.10 0.62 0.00 -1.10 -4.65 107.32 103.33 3cyn s GLY 147 Ca 0.44 1.51 -0.33 0.00 0.00 0.00 0.00 44.72 46.33 3cyn s GLY 147 CO 0.12 2.58 1.93 -2.21 0.00 0.00 0.00 173.10 175.53 3cyn n GLU 148 N 2.83 2.18 -0.32 2.90 4.07 0.06 -4.84 120.64 127.52 3cyn n GLU 148 Ca 0.10 0.78 0.13 0.00 -0.06 0.00 0.00 57.16 58.12 3cyn n GLU 148 Cb 0.38 -2.71 0.32 0.00 -0.06 0.00 0.00 31.44 29.36 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 9.88 0.54 -0.86 5.31 0.11 -1.91 -0.58 132.00 144.50 3cyn h PRO 149 Ca -0.47 -0.03 0.02 0.00 0.11 0.00 0.00 66.00 65.62 3cyn h PRO 149 Cb 1.27 -0.12 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 3cyn h PRO 149 CO 0.95 0.36 0.57 0.00 -0.21 0.00 0.00 178.00 179.66 3cyn h ALA 150 N 1.68 1.10 0.01 -0.75 0.00 -1.90 -1.04 119.26 118.35 3cyn h ALA 150 Ca 0.57 -0.05 -0.21 0.00 0.00 0.00 0.00 54.91 55.22 3cyn h ALA 150 Cb 1.01 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3cyn h ALA 150 CO -0.46 0.47 -0.91 0.35 0.00 0.00 0.00 179.25 178.70 3cyn h PHE 151 N 1.14 0.42 0.00 0.00 3.57 -1.66 -3.08 116.94 117.33 3cyn h PHE 151 Ca 0.32 -0.23 -0.04 0.00 3.53 0.00 0.00 57.97 61.55 3cyn h PHE 151 Cb -0.10 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 3cyn h PHE 151 CO -0.01 1.05 -0.19 0.00 -2.23 0.00 0.00 178.31 176.93 3cyn h ARG 152 N 0.15 0.00 -0.66 1.11 2.47 -0.77 -1.32 114.38 115.38 3cyn h ARG 152 Ca -0.06 0.00 0.05 0.00 -1.26 0.00 0.00 59.98 58.71 3cyn h ARG 152 Cb 1.54 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 29.81 3cyn h ARG 152 CO 0.15 0.19 0.37 0.35 0.56 0.00 0.00 179.97 181.59 3cyn h PHE 153 N 0.00 0.69 -0.58 3.04 3.57 -1.11 0.16 116.94 122.70 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 0.35 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 38.85 3cyn h PHE 153 CO 0.00 0.34 0.35 -0.07 -2.23 0.00 0.00 178.31 176.71 3cyn h LEU 154 N 0.70 0.69 -0.15 0.59 3.38 -1.28 -0.96 115.31 118.28 3cyn h LEU 154 Ca 0.29 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.18 3cyn h LEU 154 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3cyn h LEU 154 CO -0.17 0.54 -0.00 0.58 0.09 0.00 0.00 178.44 179.48 3cyn h VAL 155 N 0.78 1.26 -0.77 1.22 2.07 -0.99 -1.62 116.25 118.19 3cyn h VAL 155 Ca 0.21 -0.85 -0.05 0.00 0.82 0.00 0.00 66.70 66.82 3cyn h VAL 155 Cb -0.03 1.52 -0.03 0.00 -1.52 0.00 0.00 31.29 31.23 3cyn h VAL 155 CO -0.04 0.25 0.27 0.44 0.02 0.00 0.00 177.57 178.52 3cyn h ASP 156 N 0.01 1.09 -0.00 0.57 3.32 -0.68 0.29 116.42 121.02 3cyn h ASP 156 Ca 0.04 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 56.90 3cyn h ASP 156 Cb 0.38 -0.28 -0.00 0.00 0.22 0.00 0.00 39.33 39.65 3cyn h ASP 156 CO 0.01 0.99 0.00 0.28 -1.72 0.00 0.00 179.24 178.80 3cyn h SER 157 N 1.13 0.01 1.50 6.45 0.02 -1.12 -3.24 113.55 118.30 3cyn h SER 157 Ca 0.25 -0.26 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 3cyn h SER 157 Cb 0.26 -0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3cyn h SER 157 CO -0.01 0.27 -0.24 0.77 -1.14 0.00 0.00 176.83 176.47 3cyn h SER 158 N -0.25 0.00 -2.58 3.07 4.64 -1.25 -3.48 113.55 113.70 3cyn h SER 158 Ca 0.00 -0.04 -0.42 0.00 -0.47 0.00 0.00 61.79 60.87 3cyn h SER 158 Cb 0.26 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.31 3cyn h SER 158 CO 0.00 0.02 -0.50 0.29 -0.87 0.00 0.00 176.83 175.76 3cyn n LYS 159 N -2.60 -1.62 -3.83 4.77 4.76 0.10 -5.00 118.16 114.74 3cyn n LYS 159 Ca 0.04 1.05 -0.28 0.00 -2.87 0.00 0.00 58.31 56.25 3cyn n LYS 159 Cb 0.49 -5.65 -0.16 0.00 -1.84 0.00 0.00 35.03 27.86 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 -4.79 1.11 0.01 1.97 -0.14 -1.06 -5.02 119.74 111.81 3cyn s LYS 160 Ca 0.00 -0.59 -0.23 0.00 -1.36 0.00 0.00 55.97 53.79 3cyn s LYS 160 Cb 0.00 -2.19 -0.05 0.00 -1.68 0.00 0.00 37.83 33.91 3cyn s LYS 160 CO 0.00 -0.57 0.70 -2.00 -0.76 0.00 0.00 175.35 172.72 3cyn s GLU 161 N 1.68 4.43 0.40 1.68 2.12 -1.26 -4.49 118.70 123.25 3cyn s GLU 161 Ca -0.02 0.93 -0.26 0.00 0.36 0.00 0.00 54.97 55.97 3cyn s GLU 161 Cb -0.17 -3.37 -0.10 0.00 0.26 0.00 0.00 34.13 30.74 3cyn s GLU 161 CO -0.07 0.26 1.31 -2.30 -0.54 0.00 0.00 175.26 173.92 3cyn n PRO 162 N 2.98 2.09 0.00 4.30 -0.02 -1.26 -4.91 135.00 138.17 3cyn n PRO 162 Ca -0.04 0.74 0.04 0.00 -2.02 0.00 0.00 63.50 62.22 3cyn n PRO 162 Cb 0.51 -2.42 0.03 0.00 -0.02 0.00 0.00 33.50 31.59 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 0.19 0.33 -3.79 -0.52 5.12 -1.26 -5.00 116.66 111.73 3cyn n ARG 163 Ca 0.05 -0.91 -0.05 0.00 -1.93 0.00 0.00 57.85 55.01 3cyn n ARG 163 Cb 0.39 -1.13 0.02 0.00 -1.16 0.00 0.00 32.46 30.58 3cyn n ARG 163 CO 0.00 0.00 0.00 1.87 -1.93 0.00 0.00 177.63 177.57 3cyn n TRP 164 N 0.35 -1.75 -1.87 -1.55 -0.00 -1.26 -5.03 117.44 106.33 3cyn n TRP 164 Ca 0.04 -1.48 -0.39 0.00 -0.00 0.00 0.00 57.50 55.67 3cyn n TRP 164 Cb 0.19 0.73 0.02 0.00 -0.00 0.00 0.00 31.31 32.25 3cyn n TRP 164 CO 0.00 0.00 0.00 -0.80 -0.00 0.00 0.00 177.69 176.89 3cyn s ASN 165 N -3.26 5.68 -0.38 5.87 0.01 -1.26 -4.16 114.94 117.44 3cyn s ASN 165 Ca 0.20 2.75 -0.00 0.00 -0.71 0.00 0.00 52.86 55.09 3cyn s ASN 165 Cb -0.04 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.99 3cyn s ASN 165 CO 0.08 -1.29 0.05 0.49 -1.51 0.00 0.00 177.10 174.92 3cyn n PHE 166 N -0.57 -0.30 -2.24 2.20 3.72 0.13 -4.71 117.46 115.69 3cyn n PHE 166 Ca 0.08 0.04 -0.36 0.00 -0.05 0.00 0.00 57.45 57.16 3cyn n PHE 166 Cb 0.44 -1.71 -0.00 0.00 -0.94 0.00 0.00 39.48 37.27 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 -2.40 2.76 -0.01 1.38 0.52 -1.26 -3.79 118.94 116.14 3cyn s TRP 167 Ca 0.03 1.53 0.03 0.00 0.02 0.00 0.00 56.10 57.71 3cyn s TRP 167 Cb -0.01 -3.36 -0.01 0.00 -1.15 0.00 0.00 33.47 28.94 3cyn s TRP 167 CO 0.03 -1.60 -0.11 0.15 0.02 0.00 0.00 176.95 175.44 3cyn s LYS 168 N -2.96 0.93 -0.06 4.98 1.02 -0.56 -2.93 119.74 120.14 3cyn s LYS 168 Ca 0.68 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 56.30 3cyn s LYS 168 Cb -0.27 -0.89 0.02 0.00 -0.52 0.00 0.00 37.83 36.17 3cyn s LYS 168 CO 0.32 0.22 -0.10 0.71 -0.92 0.00 0.00 175.35 175.58 3cyn s TYR 169 N -0.18 1.30 -0.21 3.18 2.02 0.53 -0.48 117.35 123.51 3cyn s TYR 169 Ca 0.03 -0.47 -0.15 0.00 -0.37 0.00 0.00 57.07 56.10 3cyn s TYR 169 Cb -0.05 -0.99 -0.04 0.00 -0.40 0.00 0.00 41.96 40.48 3cyn s TYR 169 CO -0.00 -0.27 0.37 -1.17 -1.57 0.00 0.00 175.55 172.90 3cyn s LEU 170 N 0.79 4.15 -0.13 -1.29 2.96 0.27 -0.34 118.68 125.09 3cyn s LEU 170 Ca -0.12 0.46 -0.00 0.00 -0.22 0.00 0.00 54.13 54.24 3cyn s LEU 170 Cb -0.15 -2.46 -0.02 0.00 0.50 0.00 0.00 46.19 44.06 3cyn s LEU 170 CO 0.02 -0.06 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.18 3cyn s VAL 171 N 1.30 3.15 0.89 1.68 1.01 0.58 -0.88 120.40 128.13 3cyn s VAL 171 Ca 0.18 -0.63 -0.14 0.00 0.00 0.00 0.00 61.98 61.39 3cyn s VAL 171 Cb -0.15 -2.33 0.14 0.00 0.00 0.00 0.00 36.38 34.05 3cyn s VAL 171 CO 0.08 0.52 1.25 0.54 0.00 0.00 0.00 175.10 177.49 3cyn s ASN 172 N 0.31 3.80 0.64 3.32 2.20 0.31 -1.34 114.94 124.18 3cyn s ASN 172 Ca -0.09 0.54 0.32 0.00 -0.94 0.00 0.00 52.86 52.69 3cyn s ASN 172 Cb -0.16 -0.82 1.77 0.00 -2.00 0.00 0.00 41.25 40.04 3cyn s ASN 172 CO 0.05 -2.33 2.05 -0.65 -2.94 0.00 0.00 177.10 173.28 3cyn h PRO 173 N -1.35 0.00 -0.02 3.55 0.11 -1.83 -1.35 132.00 131.11 3cyn h PRO 173 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3cyn h PRO 173 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3cyn h PRO 173 CO 0.52 0.00 -0.09 0.39 -0.21 0.00 0.00 178.00 178.61 3cyn n GLU 174 N -3.26 1.91 -0.34 1.05 4.71 -1.26 -0.08 120.64 123.36 3cyn n GLU 174 Ca 0.00 -1.47 0.00 0.00 -0.01 0.00 0.00 57.16 55.68 3cyn n GLU 174 Cb 0.35 -1.47 0.00 0.00 -1.01 0.00 0.00 31.44 29.31 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 1.32 0.83 3.79 0.62 0.00 -0.51 -4.67 105.19 106.57 3cyn n GLY 175 Ca 0.14 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.78 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 -0.66 4.47 0.01 1.61 -0.21 -1.26 -0.81 119.66 122.80 3cyn s GLN 176 Ca 0.00 1.06 -0.30 0.00 0.02 0.00 0.00 55.36 56.14 3cyn s GLN 176 Cb 0.00 -3.16 -0.04 0.00 1.00 0.00 0.00 33.01 30.81 3cyn s GLN 176 CO 0.00 0.53 1.05 0.08 -2.12 0.00 0.00 175.29 174.83 3cyn s VAL 177 N -1.24 4.62 -0.04 1.09 1.01 -1.26 -0.53 120.40 124.04 3cyn s VAL 177 Ca 0.37 1.88 0.06 0.00 0.00 0.00 0.00 61.98 64.30 3cyn s VAL 177 Cb -0.21 -4.21 -0.09 0.00 0.00 0.00 0.00 36.38 31.87 3cyn s VAL 177 CO 0.24 0.13 0.07 1.33 0.00 0.00 0.00 175.10 176.88 3cyn n VAL 178 N 3.98 0.28 -3.56 2.92 0.24 -0.06 -4.96 118.33 117.17 3cyn n VAL 178 Ca 0.07 -0.23 -0.13 0.00 -2.04 0.00 0.00 64.34 62.01 3cyn n VAL 178 Cb 0.49 -0.40 -0.04 0.00 -1.47 0.00 0.00 33.84 32.42 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 -2.28 1.09 0.12 7.34 2.20 -1.24 -5.01 119.74 121.96 3cyn s LYS 179 Ca -0.03 -0.41 0.04 0.00 -0.36 0.00 0.00 55.97 55.21 3cyn s LYS 179 Cb 0.03 0.49 -0.04 0.00 -1.51 0.00 0.00 37.83 36.80 3cyn s LYS 179 CO 0.28 -0.42 -0.11 -0.59 -0.36 0.00 0.00 175.35 174.15 3cyn s PHE 180 N -3.07 1.19 0.01 4.03 -0.12 -1.26 -0.57 117.98 118.19 3cyn s PHE 180 Ca -0.02 -0.66 0.03 0.00 -0.05 0.00 0.00 56.93 56.23 3cyn s PHE 180 Cb -0.00 -0.63 -0.01 0.00 -0.63 0.00 0.00 43.02 41.75 3cyn s PHE 180 CO -0.07 0.05 -0.10 -1.58 -0.05 0.00 0.00 175.22 173.47 3cyn s TRP 181 N -2.63 0.90 0.64 3.49 0.51 0.37 -4.99 118.94 117.24 3cyn s TRP 181 Ca 0.09 -0.23 -0.13 0.00 -2.12 0.00 0.00 56.10 53.72 3cyn s TRP 181 Cb -0.02 -0.57 -0.02 0.00 -0.81 0.00 0.00 33.47 32.06 3cyn s TRP 181 CO 0.01 -0.01 1.05 1.03 -0.51 0.00 0.00 176.95 178.52 3cyn s ARG 182 N -0.52 3.22 0.56 4.98 0.52 -1.26 -1.50 118.95 124.94 3cyn s ARG 182 Ca 0.02 0.98 0.25 0.00 -0.52 0.00 0.00 55.73 56.46 3cyn s ARG 182 Cb -0.05 -2.03 1.51 0.00 0.52 0.00 0.00 34.95 34.91 3cyn s ARG 182 CO 0.00 -0.87 2.11 -1.35 0.02 0.00 0.00 175.30 175.20 3cyn h PRO 183 N -0.23 0.00 0.00 3.54 0.11 -1.85 -2.01 132.00 131.56 3cyn h PRO 183 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 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 0.58 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.76 3cyn n GLU 184 N -4.14 0.16 -2.64 1.05 4.71 -1.26 -4.82 120.64 113.70 3cyn n GLU 184 Ca 0.02 0.29 -0.42 0.00 -0.01 0.00 0.00 57.16 57.04 3cyn n GLU 184 Cb 0.30 -1.75 -0.03 0.00 -1.01 0.00 0.00 31.44 28.95 3cyn n GLU 184 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 3cyn s GLU 185 N -3.17 4.43 0.68 3.49 2.02 -0.76 -5.02 118.70 120.37 3cyn s GLU 185 Ca 0.07 1.46 -0.11 0.00 0.02 0.00 0.00 54.97 56.41 3cyn s GLU 185 Cb 0.11 -3.53 -0.00 0.00 0.10 0.00 0.00 34.13 30.81 3cyn s GLU 185 CO 0.44 -0.30 1.05 -1.25 0.02 0.00 0.00 175.26 175.22 3cyn s PRO 186 N 1.89 3.11 0.60 0.39 0.04 -1.26 -4.94 135.00 134.83 3cyn s PRO 186 Ca 0.51 0.82 0.40 0.00 0.04 0.00 0.00 61.00 62.76 3cyn s PRO 186 Cb -0.20 -2.02 2.02 0.00 0.04 0.00 0.00 34.50 34.34 3cyn s PRO 186 CO 0.20 -0.94 2.21 -0.84 0.04 0.00 0.00 177.00 177.67 3cyn h ILE 187 N -0.60 0.00 -0.57 0.56 3.07 -1.96 -2.10 117.51 115.91 3cyn h ILE 187 Ca -0.44 -0.16 0.10 0.00 1.55 0.00 0.00 64.86 65.91 3cyn h ILE 187 Cb 1.21 1.12 -0.03 0.00 -0.27 0.00 0.00 36.82 38.85 3cyn h ILE 187 CO 0.59 0.00 0.38 -0.33 -1.05 0.00 0.00 178.15 177.75 3cyn h GLU 188 N 0.00 0.36 -0.02 0.16 4.39 -2.02 -0.38 114.58 117.07 3cyn h GLU 188 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 3cyn h GLU 188 Cb 0.16 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 3cyn h GLU 188 CO 0.00 0.24 -0.15 1.33 -1.16 0.00 0.00 179.01 179.27 3cyn n VAL 189 N -4.47 0.00 -0.06 3.13 0.24 -0.79 -4.25 118.33 112.13 3cyn n VAL 189 Ca 0.09 -0.37 -0.19 0.00 -2.04 0.00 0.00 64.34 61.83 3cyn n VAL 189 Cb 0.37 1.18 -0.13 0.00 -1.47 0.00 0.00 33.84 33.79 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 0.63 1.63 -0.21 1.34 5.41 -0.48 -4.59 119.36 123.10 3cyn n ILE 190 Ca 0.13 -0.62 -0.01 0.00 1.00 0.00 0.00 62.75 63.25 3cyn n ILE 190 Cb 0.51 -1.54 0.05 0.00 -0.71 0.00 0.00 39.64 37.95 3cyn n ILE 190 CO 0.00 0.00 0.00 0.03 0.00 0.00 0.00 176.55 176.58 3cyn h ARG 191 N 0.03 -0.04 -0.72 0.38 3.08 -1.30 -2.89 114.38 112.93 3cyn h ARG 191 Ca -0.50 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.65 3cyn h ARG 191 Cb 1.97 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 31.96 3cyn h ARG 191 CO -0.00 -0.03 0.36 -1.35 -1.07 0.00 0.00 179.97 177.88 3cyn h PRO 192 N -0.04 0.59 -0.29 0.04 0.11 -1.81 0.19 132.00 130.78 3cyn h PRO 192 Ca 0.29 -0.04 -0.12 0.00 0.11 0.00 0.00 66.00 66.25 3cyn h PRO 192 Cb 0.49 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 31.46 3cyn h PRO 192 CO -0.66 0.39 -0.32 -0.44 -0.21 0.00 0.00 178.00 176.76 3cyn h ASP 193 N 0.61 0.65 -0.31 -2.05 3.32 -1.79 -1.65 116.42 115.19 3cyn h ASP 193 Ca 0.36 -0.26 -0.05 0.00 0.02 0.00 0.00 57.03 57.10 3cyn h ASP 193 Cb 0.38 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.74 3cyn h ASP 193 CO -0.27 0.92 -0.02 0.40 -1.72 0.00 0.00 179.24 178.55 3cyn h ILE 194 N 0.53 1.26 -0.56 0.35 2.04 -1.28 -2.94 117.51 116.92 3cyn h ILE 194 Ca 0.06 -0.98 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 3cyn h ILE 194 Cb 0.81 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.16 3cyn h ILE 194 CO 0.07 0.32 0.31 0.00 0.00 0.00 0.00 178.15 178.84 3cyn h ALA 195 N 0.83 0.72 -0.44 1.87 0.00 -0.50 0.18 119.26 121.91 3cyn h ALA 195 Ca 0.08 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3cyn h ALA 195 Cb 0.47 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.98 3cyn h ALA 195 CO 0.02 0.24 0.15 0.00 0.00 0.00 0.00 179.25 179.66 3cyn h ALA 196 N 1.14 0.53 -0.04 0.00 0.00 -1.32 -0.76 119.26 118.80 3cyn h ALA 196 Ca 0.20 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 55.00 3cyn h ALA 196 Cb 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3cyn h ALA 196 CO -0.03 -0.24 -0.73 -0.07 0.00 0.00 0.00 179.25 178.18 3cyn h LEU 197 N 0.31 0.30 -0.27 0.00 3.38 -1.26 -2.86 115.31 114.91 3cyn h LEU 197 Ca 0.21 -0.20 -0.18 0.00 0.09 0.00 0.00 57.88 57.80 3cyn h LEU 197 Cb 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.88 3cyn h LEU 197 CO -0.22 0.93 -0.55 0.58 0.09 0.00 0.00 178.44 179.27 3cyn h VAL 198 N 0.17 1.28 -0.45 1.22 2.07 -0.79 -2.09 116.25 117.66 3cyn h VAL 198 Ca -0.02 -1.73 -0.04 0.00 0.82 0.00 0.00 66.70 65.72 3cyn h VAL 198 Cb 1.29 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.72 3cyn h VAL 198 CO 0.11 0.56 0.13 -0.09 0.02 0.00 0.00 177.57 178.31 3cyn h ARG 199 N 0.62 0.71 -0.55 1.57 2.43 -1.16 -0.89 114.38 117.11 3cyn h ARG 199 Ca 0.01 -0.16 -0.01 0.00 -0.81 0.00 0.00 59.98 59.02 3cyn h ARG 199 Cb 1.16 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 30.58 3cyn h ARG 199 CO 0.12 0.69 0.32 0.37 -1.51 0.00 0.00 179.97 179.96 3cyn h GLN 200 N 0.59 0.75 -0.41 0.20 4.15 -1.50 -2.19 115.11 116.70 3cyn h GLN 200 Ca 0.14 -0.07 -0.13 0.00 0.77 0.00 0.00 58.65 59.36 3cyn h GLN 200 Cb 0.28 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.80 3cyn h GLN 200 CO -0.00 0.55 -0.28 -0.24 -1.93 0.00 0.00 178.83 176.93 3cyn h VAL 201 N 0.74 1.27 -0.68 2.39 3.04 -1.14 -1.08 116.25 120.80 3cyn h VAL 201 Ca 0.20 -1.43 0.06 0.00 -1.01 0.00 0.00 66.70 64.51 3cyn h VAL 201 Cb 0.00 1.25 -0.06 0.00 -2.01 0.00 0.00 31.29 30.48 3cyn h VAL 201 CO -0.04 0.48 0.38 0.40 -1.01 0.00 0.00 177.57 177.78 3cyn h ILE 202 N 0.75 0.97 -0.26 3.17 2.04 -1.04 0.28 117.51 123.43 3cyn h ILE 202 Ca 0.09 -0.24 -0.11 0.00 1.00 0.00 0.00 64.86 65.59 3cyn h ILE 202 Cb 0.83 0.21 -0.00 0.00 -0.74 0.00 0.00 36.82 37.12 3cyn h ILE 202 CO 0.07 0.13 -0.29 0.40 0.00 0.00 0.00 178.15 178.46 3cyn h ILE 203 N 0.70 1.31 -0.79 -0.67 2.04 -1.22 -2.51 117.51 116.37 3cyn h ILE 203 Ca 0.30 -1.46 -0.05 0.00 1.00 0.00 0.00 64.86 64.65 3cyn h ILE 203 Cb 0.19 1.66 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 3cyn h ILE 203 CO -0.18 0.46 0.30 0.50 0.00 0.00 0.00 178.15 179.23 3cyn h LYS 204 N 0.36 1.19 -0.46 2.37 3.64 -0.99 0.22 116.57 122.90 3cyn h LYS 204 Ca 0.04 -0.22 -0.07 0.00 -1.27 0.00 0.00 60.65 59.12 3cyn h LYS 204 Cb 0.86 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.47 3cyn h LYS 204 CO 0.07 0.97 -0.02 0.87 -2.27 0.00 0.00 179.45 179.08 3cyn h LYS 205 N 1.16 0.76 0.15 1.90 1.57 -0.91 -1.54 116.57 119.66 3cyn h LYS 205 Ca 0.26 -0.21 -0.24 0.00 -1.87 0.00 0.00 60.65 58.60 3cyn h LYS 205 Cb 0.24 -0.09 0.03 0.00 0.08 0.00 0.00 32.23 32.48 3cyn h LYS 205 CO -0.02 0.78 -1.02 -0.22 -0.57 0.00 0.00 179.45 178.40 3cyn h LYS 206 N 0.71 0.42 0.18 3.15 1.63 -1.21 -3.39 116.57 118.06 3cyn h LYS 206 Ca 0.14 -0.66 -0.30 0.00 -0.85 0.00 0.00 60.65 58.98 3cyn h LYS 206 Cb 0.46 0.24 0.02 0.00 -0.60 0.00 0.00 32.23 32.35 3cyn h LYS 206 CO 0.02 1.30 -1.33 0.93 -3.45 0.00 0.00 179.45 176.92 3cyn h GLU 207 N -0.12 0.47 -6.20 1.90 5.08 -0.95 -3.46 114.58 111.31 3cyn h GLU 207 Ca -0.17 -0.75 -0.58 0.00 -1.00 0.00 0.00 59.36 56.87 3cyn h GLU 207 Cb 1.78 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 31.26 3cyn h GLU 207 CO 0.19 1.35 -0.26 -0.51 -1.00 0.00 0.00 179.01 178.77 3cyn s ASP 208 N -7.40 6.55 0.00 1.42 -0.00 -0.58 -5.08 116.67 111.57 3cyn s ASP 208 Ca -0.07 0.69 0.25 0.00 -0.00 0.00 0.00 52.55 53.42 3cyn s ASP 208 Cb 0.06 -2.13 1.48 0.00 -0.00 0.00 0.00 42.92 42.33 3cyn s ASP 208 CO 0.92 0.06 1.84 0.18 -0.00 0.00 0.00 175.17 178.18