#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cyn h THR 35 N 0.00 1.32 -0.33 2.61 2.02 -2.05 -3.05 112.91 113.42 3cyn h THR 35 Ca 0.00 -1.73 -0.13 0.00 0.77 0.00 0.00 66.41 65.32 3cyn h THR 35 Cb 0.00 1.91 -0.01 0.00 -1.74 0.00 0.00 68.15 68.31 3cyn h THR 35 CO 0.00 0.54 -0.33 -0.33 0.37 0.00 0.00 175.52 175.77 3cyn h GLU 36 N 0.36 0.73 0.33 6.66 4.39 -2.06 -1.58 114.58 123.42 3cyn h GLU 36 Ca -0.01 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.33 3cyn h GLU 36 Cb 1.11 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 3cyn h GLU 36 CO 0.11 0.96 -0.16 -0.91 -1.16 0.00 0.00 179.01 177.85 3cyn h ASN 37 N 0.62 -0.37 -0.74 1.42 2.35 -2.01 -2.83 115.58 114.01 3cyn h ASN 37 Ca 0.07 -0.07 0.02 0.00 -0.55 0.00 0.00 56.30 55.77 3cyn h ASN 37 Cb 0.85 0.10 -0.04 0.00 0.05 0.00 0.00 38.32 39.28 3cyn h ASN 37 CO 0.07 -0.17 0.48 0.25 -1.65 0.00 0.00 177.43 176.41 3cyn h LEU 38 N -0.56 0.80 -0.31 1.61 5.85 -1.57 -0.67 115.31 120.45 3cyn h LEU 38 Ca -0.04 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.73 3cyn h LEU 38 Cb 0.41 -0.18 -0.08 0.00 0.37 0.00 0.00 40.66 41.18 3cyn h LEU 38 CO 0.07 0.56 -0.35 0.22 -0.34 0.00 0.00 178.44 178.61 3cyn h TYR 39 N 0.94 -0.97 -0.22 1.25 3.20 -1.27 0.28 116.97 120.19 3cyn h TYR 39 Ca 0.29 0.05 -0.18 0.00 3.14 0.00 0.00 58.73 62.04 3cyn h TYR 39 Cb -0.02 0.47 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3cyn h TYR 39 CO -0.03 -0.40 -0.58 0.74 -1.64 0.00 0.00 178.16 176.25 3cyn h PHE 40 N -0.32 0.87 -0.43 -3.82 -1.00 -1.40 -3.11 116.94 107.73 3cyn h PHE 40 Ca 0.14 -0.32 -0.05 0.00 2.81 0.00 0.00 57.97 60.55 3cyn h PHE 40 Cb 0.55 -0.16 -0.02 0.00 3.61 0.00 0.00 35.95 39.93 3cyn h PHE 40 CO -0.51 1.10 0.08 1.96 -1.61 0.00 0.00 178.31 179.32 3cyn h GLN 41 N 0.52 0.66 0.00 1.51 4.20 -0.88 -2.92 115.11 118.19 3cyn h GLN 41 Ca 0.00 -0.13 0.00 0.00 0.06 0.00 0.00 58.65 58.58 3cyn h GLN 41 Cb 1.16 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.83 3cyn h GLN 41 CO 0.12 0.63 0.00 -1.13 -0.67 0.00 0.00 178.83 177.77 3cyn n SER 42 N -4.29 0.63 0.02 1.46 3.41 0.95 -1.35 113.62 114.46 3cyn n SER 42 Ca 0.03 0.72 -0.07 0.00 -0.26 0.00 0.00 58.87 59.29 3cyn n SER 42 Cb 0.22 -0.83 -0.12 0.00 -0.26 0.00 0.00 64.21 63.23 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 0.00 0.00 -6.63 4.33 2.86 -1.59 -3.45 114.93 110.46 3cyn h MET 43 Ca 0.00 0.00 -0.53 0.00 -2.06 0.00 0.00 59.70 57.11 3cyn h MET 43 Cb 0.18 0.00 0.03 0.00 0.06 0.00 0.00 31.60 31.88 3cyn h MET 43 CO 0.00 0.67 0.73 0.42 1.06 0.00 0.00 176.91 179.79 3cyn s ILE 44 N -2.69 3.08 0.00 -1.22 1.01 -0.46 -4.92 121.20 116.00 3cyn s ILE 44 Ca -0.02 0.83 0.00 0.00 0.00 0.00 0.00 60.65 61.46 3cyn s ILE 44 Cb 0.09 -3.53 0.00 0.00 0.01 0.00 0.00 42.46 39.03 3cyn s ILE 44 CO 0.82 0.09 0.00 -3.20 0.00 0.00 0.00 174.94 172.65 3cyn n ASN 45 N 3.28 0.00 -3.81 3.58 5.15 -1.26 -5.03 115.26 117.18 3cyn n ASN 45 Ca 0.09 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 53.95 3cyn n ASN 45 Cb 0.42 0.00 -0.09 0.00 -0.53 0.00 0.00 39.78 39.58 3cyn n ASN 45 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3cyn s SER 46 N 1.00 -0.08 0.29 1.20 0.15 -1.26 -4.86 113.70 110.13 3cyn s SER 46 Ca 0.00 -0.09 -0.01 0.00 0.70 0.00 0.00 55.95 56.55 3cyn s SER 46 Cb 0.00 0.27 0.42 0.00 -1.71 0.00 0.00 66.02 65.01 3cyn s SER 46 CO 0.00 -0.45 1.85 0.15 1.20 0.00 0.00 173.24 176.00 3cyn h PHE 47 N 3.91 0.87 0.00 3.44 3.57 -1.00 -2.58 116.94 125.15 3cyn h PHE 47 Ca -0.30 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.13 3cyn h PHE 47 Cb 1.19 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 39.67 3cyn h PHE 47 CO 0.54 0.69 0.00 0.66 -2.23 0.00 0.00 178.31 177.98 3cyn n TYR 48 N -4.30 0.00 0.58 0.41 4.01 -1.26 -2.77 117.16 113.83 3cyn n TYR 48 Ca 0.05 0.00 0.12 0.00 -0.16 0.00 0.00 57.90 57.91 3cyn n TYR 48 Cb 0.19 -0.44 0.46 0.00 -0.31 0.00 0.00 39.34 39.24 3cyn n TYR 48 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3cyn n ALA 49 N -1.44 1.99 -2.15 -0.72 0.00 -0.97 -1.32 120.51 115.90 3cyn n ALA 49 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.17 3cyn n ALA 49 Cb 0.20 -1.41 -0.06 0.00 0.00 0.00 0.00 19.45 18.18 3cyn n ALA 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3cyn s PHE 50 N -3.15 3.39 -0.04 0.00 0.08 -1.12 -4.88 117.98 112.27 3cyn s PHE 50 Ca 0.08 1.21 -0.11 0.00 0.12 0.00 0.00 56.93 58.24 3cyn s PHE 50 Cb 0.12 -2.53 -0.05 0.00 -0.57 0.00 0.00 43.02 39.99 3cyn s PHE 50 CO 0.47 0.11 0.29 -1.21 -0.10 0.00 0.00 175.22 174.79 3cyn s GLU 51 N -2.92 3.70 0.17 0.44 2.02 -1.26 -1.24 118.70 119.61 3cyn s GLU 51 Ca 0.53 0.16 0.01 0.00 0.02 0.00 0.00 54.97 55.69 3cyn s GLU 51 Cb -0.11 -3.19 -0.04 0.00 0.10 0.00 0.00 34.13 30.89 3cyn s GLU 51 CO 0.18 0.72 0.04 0.14 0.02 0.00 0.00 175.26 176.35 3cyn s VAL 52 N -1.09 0.47 0.01 2.63 -7.23 0.33 -4.89 120.40 110.63 3cyn s VAL 52 Ca 0.21 -1.96 -0.18 0.00 -1.81 0.00 0.00 61.98 58.23 3cyn s VAL 52 Cb -0.15 -2.19 -0.06 0.00 0.56 0.00 0.00 36.38 34.54 3cyn s VAL 52 CO 0.10 -0.38 0.53 -0.54 -0.31 0.00 0.00 175.10 174.50 3cyn s LYS 53 N -3.98 4.19 0.95 4.82 1.02 -1.26 -0.08 119.74 125.39 3cyn s LYS 53 Ca 0.27 0.63 -0.15 0.00 0.02 0.00 0.00 55.97 56.73 3cyn s LYS 53 Cb 0.07 -3.29 0.18 0.00 -0.52 0.00 0.00 37.83 34.27 3cyn s LYS 53 CO 0.05 0.52 1.28 0.16 -0.92 0.00 0.00 175.35 176.44 3cyn s ASP 54 N -0.64 3.25 0.56 2.83 1.47 0.34 -1.11 116.67 123.37 3cyn s ASP 54 Ca 0.28 0.41 0.24 0.00 1.18 0.00 0.00 52.55 54.66 3cyn s ASP 54 Cb -0.18 -0.57 1.57 0.00 -0.34 0.00 0.00 42.92 43.40 3cyn s ASP 54 CO 0.16 -2.66 2.17 0.00 0.68 0.00 0.00 175.17 175.52 3cyn h ALA 55 N -1.59 1.81 -0.07 2.11 0.00 -1.75 -0.18 119.26 119.58 3cyn h ALA 55 Ca -0.45 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3cyn h ALA 55 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 3cyn h ALA 55 CO 0.44 -0.10 0.00 1.63 0.00 0.00 0.00 179.25 181.22 3cyn n LYS 56 N -4.13 1.61 -0.42 0.00 5.02 -1.26 -3.43 118.16 115.55 3cyn n LYS 56 Ca -0.01 -0.90 0.00 0.00 -2.02 0.00 0.00 58.31 55.37 3cyn n LYS 56 Cb 0.16 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 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 1.13 0.75 3.80 0.72 0.00 -0.08 -5.06 105.19 106.44 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 -0.58 4.40 0.14 1.61 0.52 -1.26 -4.77 118.95 119.01 3cyn s ARG 58 Ca 0.00 0.99 -0.31 0.00 -0.52 0.00 0.00 55.73 55.90 3cyn s ARG 58 Cb 0.00 -3.10 -0.08 0.00 0.52 0.00 0.00 34.95 32.29 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 -1.30 3.48 -0.02 0.02 2.01 -1.26 -0.50 115.64 118.07 3cyn s THR 59 Ca 0.38 1.13 0.04 0.00 0.31 0.00 0.00 61.69 63.55 3cyn s THR 59 Cb -0.20 -3.72 -0.01 0.00 0.01 0.00 0.00 72.50 68.58 3cyn s THR 59 CO 0.23 0.13 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.47 3cyn s VAL 60 N 0.63 1.05 -0.04 3.82 1.01 0.88 -4.90 120.40 122.85 3cyn s VAL 60 Ca 0.59 -0.55 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 3cyn s VAL 60 Cb -0.34 -0.89 -0.05 0.00 0.00 0.00 0.00 36.38 35.10 3cyn s VAL 60 CO 0.33 0.30 0.58 -0.55 0.00 0.00 0.00 175.10 175.77 3cyn s SER 61 N -0.17 6.91 0.00 3.32 0.15 -1.26 -0.51 113.70 122.14 3cyn s SER 61 Ca 0.02 1.09 0.25 0.00 0.70 0.00 0.00 55.95 58.02 3cyn s SER 61 Cb -0.07 -2.35 1.42 0.00 -1.71 0.00 0.00 66.02 63.32 3cyn s SER 61 CO 0.00 0.05 1.87 0.18 1.20 0.00 0.00 173.24 176.54 3cyn n LEU 62 N 3.07 0.00 0.30 3.45 4.77 -0.37 -3.52 117.00 124.69 3cyn n LEU 62 Ca -0.06 0.12 0.16 0.00 -0.03 0.00 0.00 56.01 56.20 3cyn n LEU 62 Cb 0.51 -0.12 0.95 0.00 -2.33 0.00 0.00 43.42 42.43 3cyn n LEU 62 CO 0.44 -0.02 1.14 -0.33 -1.33 0.00 0.00 177.39 177.28 3cyn h GLU 63 N 0.00 0.00 0.00 3.23 5.08 -1.43 -1.56 114.58 119.90 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 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 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 -0.02 2.33 2.10 -1.86 -1.90 116.57 117.22 3cyn h LYS 64 Ca 0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.66 3cyn h LYS 64 Cb 0.05 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.38 3cyn h LYS 64 CO -0.00 0.00 -0.11 0.66 -2.00 0.00 0.00 179.45 178.00 3cyn n TYR 65 N -2.87 0.00 -1.69 0.07 4.01 -0.59 -4.94 117.16 111.15 3cyn n TYR 65 Ca -0.01 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.29 3cyn n TYR 65 Cb 0.15 -0.03 -0.03 0.00 -0.31 0.00 0.00 39.34 39.12 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 0.17 2.34 -0.20 -0.72 4.01 -0.72 -1.06 118.16 121.99 3cyn n LYS 66 Ca 0.15 0.84 0.00 0.00 -0.51 0.00 0.00 58.31 58.79 3cyn n LYS 66 Cb 0.41 -2.60 0.00 0.00 -0.51 0.00 0.00 35.03 32.33 3cyn n LYS 66 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3cyn n GLY 67 N 2.99 1.17 3.76 0.72 0.00 -0.18 -5.05 105.19 108.59 3cyn n GLY 67 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.51 2.73 -0.01 1.61 1.02 -0.22 -4.76 119.74 119.59 3cyn s LYS 68 Ca 0.00 -1.04 -0.25 0.00 0.02 0.00 0.00 55.97 54.70 3cyn s LYS 68 Cb 0.00 -2.50 -0.04 0.00 -0.52 0.00 0.00 37.83 34.77 3cyn s LYS 68 CO 0.00 0.44 0.79 0.08 -0.92 0.00 0.00 175.35 175.74 3cyn s VAL 69 N -1.92 4.90 -0.05 3.17 1.01 -0.71 -3.06 120.40 123.74 3cyn s VAL 69 Ca 0.31 1.65 0.04 0.00 0.00 0.00 0.00 61.98 63.98 3cyn s VAL 69 Cb -0.09 -4.13 -0.00 0.00 0.00 0.00 0.00 36.38 32.16 3cyn s VAL 69 CO 0.22 0.27 -0.18 -0.44 0.00 0.00 0.00 175.10 174.98 3cyn s SER 70 N 0.56 2.22 -0.42 3.32 0.01 -0.29 -1.20 113.70 117.92 3cyn s SER 70 Ca 0.41 -0.37 -0.14 0.00 1.31 0.00 0.00 55.95 57.16 3cyn s SER 70 Cb -0.19 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.43 3cyn s SER 70 CO 0.22 0.16 0.30 -0.22 0.41 0.00 0.00 173.24 174.11 3cyn s LEU 71 N 0.05 5.14 -0.18 2.44 2.96 -0.24 -0.24 118.68 128.62 3cyn s LEU 71 Ca -0.04 -1.00 -0.13 0.00 -0.22 0.00 0.00 54.13 52.74 3cyn s LEU 71 Cb -0.12 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.38 3cyn s LEU 71 CO 0.02 -0.48 0.25 -0.69 -1.32 0.00 0.00 176.35 174.14 3cyn s VAL 72 N 1.65 5.33 -0.02 1.68 1.01 0.87 -1.18 120.40 129.73 3cyn s VAL 72 Ca 0.04 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.48 3cyn s VAL 72 Cb -0.20 -3.59 0.02 0.00 0.00 0.00 0.00 36.38 32.61 3cyn s VAL 72 CO 0.09 0.39 0.00 -0.69 0.00 0.00 0.00 175.10 174.89 3cyn s VAL 73 N 0.54 0.12 -0.14 2.92 1.01 -0.73 -0.55 120.40 123.58 3cyn s VAL 73 Ca 0.14 0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.93 3cyn s VAL 73 Cb -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 36.38 36.03 3cyn s VAL 73 CO 0.03 0.11 0.92 0.54 0.00 0.00 0.00 175.10 176.70 3cyn s ASN 74 N 0.82 7.10 0.36 3.32 4.22 -1.15 -0.92 114.94 128.69 3cyn s ASN 74 Ca -0.08 1.36 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 39.86 3cyn s ASN 74 CO -0.02 -0.42 0.10 0.68 -2.04 0.00 0.00 177.10 175.40 3cyn s VAL 75 N 2.06 2.66 -0.08 3.54 -7.23 -0.43 -0.12 120.40 120.81 3cyn s VAL 75 Ca 0.43 -1.81 -0.28 0.00 -1.81 0.00 0.00 61.98 58.51 3cyn s VAL 75 Cb -0.17 -2.91 0.06 0.00 0.56 0.00 0.00 36.38 33.92 3cyn s VAL 75 CO 0.15 -0.14 0.64 0.00 -0.31 0.00 0.00 175.10 175.44 3cyn s ALA 76 N -2.51 -1.64 -0.14 1.32 0.00 -1.26 -1.80 121.76 115.73 3cyn s ALA 76 Ca 0.37 1.30 0.22 0.00 0.00 0.00 0.00 51.96 53.85 3cyn s ALA 76 Cb 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 23.12 22.78 3cyn s ALA 76 CO 0.21 -0.35 0.75 0.43 0.00 0.00 0.00 175.76 176.80 3cyn n SER 77 N 1.24 0.40 -3.16 0.00 7.64 -0.96 -4.63 113.62 114.15 3cyn n SER 77 Ca -0.18 0.14 -0.25 0.00 1.01 0.00 0.00 58.87 59.59 3cyn n SER 77 Cb 0.57 1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 64.98 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 -2.44 3.16 -3.82 6.43 2.03 0.01 -4.91 116.55 117.00 3cyn n ASP 78 Ca -0.02 -3.38 -0.12 0.00 0.52 0.00 0.00 54.79 51.78 3cyn n ASP 78 Cb 0.56 -0.61 -0.10 0.00 -0.72 0.00 0.00 41.12 40.24 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 4.68 0.49 -0.00 0.00 4.15 -1.98 -2.12 115.11 120.33 3cyn h GLN 80 Ca -0.29 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.10 3cyn h GLN 80 Cb 1.19 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 28.77 3cyn h GLN 80 CO 0.39 0.33 -0.14 1.28 -1.93 0.00 0.00 178.83 178.75 3cyn n LEU 81 N -4.60 0.34 0.03 -2.39 4.77 -1.26 -4.45 117.00 109.44 3cyn n LEU 81 Ca 0.21 0.14 -0.12 0.00 -0.03 0.00 0.00 56.01 56.21 3cyn n LEU 81 Cb 0.69 -0.27 -0.05 0.00 -2.33 0.00 0.00 43.42 41.46 3cyn n LEU 81 CO 0.27 0.07 0.62 0.74 -1.33 0.00 0.00 177.39 177.76 3cyn h THR 82 N 0.30 0.23 0.10 -5.08 2.02 -1.64 -2.21 112.91 106.63 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 0.41 0.23 -0.00 0.00 -1.74 0.00 0.00 68.15 67.05 3cyn h THR 82 CO 0.00 0.00 -0.06 -0.78 0.37 0.00 0.00 175.52 175.05 3cyn h ASP 83 N -0.48 -0.14 0.11 4.18 3.58 -1.80 -1.28 116.42 120.59 3cyn h ASP 83 Ca 0.07 0.01 -0.07 0.00 0.42 0.00 0.00 57.03 57.46 3cyn h ASP 83 Cb 0.59 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.67 3cyn h ASP 83 CO -0.33 -0.09 -0.24 0.08 -2.88 0.00 0.00 179.24 175.78 3cyn h ARG 84 N -0.15 0.22 -0.03 0.28 0.11 -1.84 -1.80 114.38 111.18 3cyn h ARG 84 Ca -0.01 -0.07 -0.06 0.00 0.10 0.00 0.00 59.98 59.94 3cyn h ARG 84 Cb 0.12 -0.02 0.00 0.00 1.11 0.00 0.00 29.97 31.18 3cyn h ARG 84 CO 0.01 0.46 -0.22 -0.91 0.10 0.00 0.00 179.97 179.41 3cyn h ASN 85 N 0.21 0.24 -0.87 0.08 2.35 -1.20 -1.48 115.58 114.92 3cyn h ASN 85 Ca 0.03 -0.69 0.01 0.00 -0.55 0.00 0.00 56.30 55.10 3cyn h ASN 85 Cb 0.54 -0.07 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 3cyn h ASN 85 CO 0.04 0.89 0.57 1.88 -1.65 0.00 0.00 177.43 179.16 3cyn h TYR 86 N -0.39 1.09 -0.26 1.19 -1.99 -1.18 0.95 116.97 116.37 3cyn h TYR 86 Ca -0.02 0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.74 3cyn h TYR 86 Cb 0.90 -0.37 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 3cyn h TYR 86 CO 0.15 0.68 0.16 -0.07 -0.00 0.00 0.00 178.16 179.09 3cyn h LEU 87 N 1.17 0.30 -0.44 3.88 3.38 -1.36 -1.49 115.31 120.76 3cyn h LEU 87 Ca 0.32 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 58.16 3cyn h LEU 87 Cb -0.13 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.53 3cyn h LEU 87 CO -0.07 0.24 -0.10 1.23 0.09 0.00 0.00 178.44 179.83 3cyn h GLY 88 N 0.34 0.91 1.42 0.83 0.00 -0.90 -2.63 103.07 103.04 3cyn h GLY 88 Ca 0.09 -0.75 -0.08 0.00 0.00 0.00 0.00 47.33 46.60 3cyn h GLY 88 CO -0.02 0.68 -0.07 1.41 0.00 0.00 0.00 176.54 178.54 3cyn h LEU 89 N 0.67 0.68 -0.62 3.11 3.38 -0.81 -1.56 115.31 120.16 3cyn h LEU 89 Ca 0.11 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3cyn h LEU 89 Cb 0.64 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 3cyn h LEU 89 CO 0.04 0.79 0.37 0.50 0.09 0.00 0.00 178.44 180.23 3cyn h LYS 90 N 0.64 0.85 -0.35 1.13 3.64 -1.19 -0.96 116.57 120.33 3cyn h LYS 90 Ca 0.12 -0.08 -0.15 0.00 -1.27 0.00 0.00 60.65 59.27 3cyn h LYS 90 Cb 0.51 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.15 3cyn h LYS 90 CO 0.03 0.61 -0.36 0.93 -2.27 0.00 0.00 179.45 178.40 3cyn h GLU 91 N 0.84 0.86 -0.39 1.90 4.39 -1.11 -0.05 114.58 121.03 3cyn h GLU 91 Ca 0.22 -0.46 0.01 0.00 0.34 0.00 0.00 59.36 59.47 3cyn h GLU 91 Cb -0.01 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 3cyn h GLU 91 CO -0.04 1.10 0.24 -0.07 -1.16 0.00 0.00 179.01 179.08 3cyn h LEU 92 N 0.66 0.40 -0.42 1.33 3.38 -1.23 -0.97 115.31 118.47 3cyn h LEU 92 Ca 0.06 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 3cyn h LEU 92 Cb 0.95 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 3cyn h LEU 92 CO 0.09 0.29 0.18 -0.74 0.09 0.00 0.00 178.44 178.35 3cyn h HIS 93 N 0.49 0.63 -0.84 1.13 2.76 -0.99 -1.19 115.15 117.15 3cyn h HIS 93 Ca 0.15 -0.04 -0.01 0.00 -2.20 0.00 0.00 60.37 58.27 3cyn h HIS 93 Cb -0.02 -0.19 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 3cyn h HIS 93 CO -0.06 0.54 0.49 0.87 -1.30 0.00 0.00 177.93 178.47 3cyn h LYS 94 N 0.54 1.15 -0.09 5.26 1.57 -0.93 0.14 116.57 124.21 3cyn h LYS 94 Ca 0.14 -0.12 -0.09 0.00 -1.87 0.00 0.00 60.65 58.72 3cyn h LYS 94 Cb 0.17 -0.24 0.00 0.00 0.08 0.00 0.00 32.23 32.24 3cyn h LYS 94 CO -0.01 0.83 -0.29 1.49 -0.57 0.00 0.00 179.45 180.90 3cyn h GLU 95 N 1.16 0.35 0.00 3.15 4.81 -0.96 -3.38 114.58 119.71 3cyn h GLU 95 Ca 0.30 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3cyn h GLU 95 Cb -0.01 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.41 3cyn h GLU 95 CO -0.05 0.88 -1.12 1.19 -0.73 0.00 0.00 179.01 179.18 3cyn n PHE 96 N -4.44 0.00 -2.88 0.92 3.01 -0.47 -5.02 117.46 108.58 3cyn n PHE 96 Ca -0.08 0.00 -0.21 0.00 1.01 0.00 0.00 57.45 58.18 3cyn n PHE 96 Cb 0.48 -0.15 0.07 0.00 -0.01 0.00 0.00 39.48 39.87 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 -2.97 1.76 0.00 1.37 0.00 0.47 -3.80 107.32 104.15 3cyn s GLY 97 Ca 0.01 -1.96 0.21 0.00 0.00 0.00 0.00 44.72 42.97 3cyn s GLY 97 CO 0.62 -1.49 1.00 -1.55 0.00 0.00 0.00 173.10 171.68 3cyn n PRO 98 N -2.41 1.25 0.07 2.90 -0.04 -1.26 -4.84 135.00 130.67 3cyn n PRO 98 Ca 0.15 -0.84 -0.21 0.00 -0.04 0.00 0.00 63.50 62.56 3cyn n PRO 98 Cb 0.61 -1.43 -0.11 0.00 -0.04 0.00 0.00 33.50 32.53 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 2.02 0.84 -0.01 3.54 0.02 -1.97 -3.36 113.55 114.63 3cyn h SER 99 Ca 0.00 -0.74 0.00 0.00 -0.84 0.00 0.00 61.79 60.21 3cyn h SER 99 Cb 0.68 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.95 3cyn h SER 99 CO 0.00 1.54 -0.09 1.41 -1.14 0.00 0.00 176.83 178.55 3cyn n HIS 100 N -3.80 0.00 -3.73 3.45 8.25 -1.26 -4.85 115.22 113.29 3cyn n HIS 100 Ca -0.12 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.20 3cyn n HIS 100 Cb 0.94 0.00 -0.09 0.00 1.12 0.00 0.00 29.99 31.96 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 -0.92 -0.38 0.02 4.41 5.36 -1.25 -1.74 117.98 123.48 3cyn s PHE 101 Ca 0.07 0.83 -0.04 0.00 -0.96 0.00 0.00 56.93 56.83 3cyn s PHE 101 Cb 0.06 0.15 -0.01 0.00 -0.34 0.00 0.00 43.02 42.88 3cyn s PHE 101 CO 0.15 -0.30 0.05 0.45 -1.46 0.00 0.00 175.22 174.11 3cyn s SER 102 N -0.38 0.19 -0.13 6.13 0.15 -0.34 -4.28 113.70 115.03 3cyn s SER 102 Ca -0.05 -0.48 -0.17 0.00 0.70 0.00 0.00 55.95 55.95 3cyn s SER 102 Cb -0.03 0.17 -0.04 0.00 -1.71 0.00 0.00 66.02 64.40 3cyn s SER 102 CO 0.02 -0.40 0.41 -0.69 1.20 0.00 0.00 173.24 173.78 3cyn s VAL 103 N -1.98 5.22 -0.31 4.45 1.01 -1.26 -1.08 120.40 126.46 3cyn s VAL 103 Ca -0.11 0.82 0.01 0.00 0.00 0.00 0.00 61.98 62.70 3cyn s VAL 103 Cb -0.05 -3.75 0.07 0.00 0.00 0.00 0.00 36.38 32.64 3cyn s VAL 103 CO -0.02 0.36 -0.00 -0.76 0.00 0.00 0.00 175.10 174.67 3cyn s LEU 104 N 0.51 4.07 -0.24 3.92 1.43 -0.33 -3.76 118.68 124.28 3cyn s LEU 104 Ca 0.23 -1.56 -0.10 0.00 -1.03 0.00 0.00 54.13 51.66 3cyn s LEU 104 Cb -0.14 -1.66 -0.05 0.00 0.03 0.00 0.00 46.19 44.37 3cyn s LEU 104 CO 0.08 -0.29 0.16 0.00 0.23 0.00 0.00 176.35 176.53 3cyn s ALA 105 N 1.13 3.59 -0.32 4.21 0.00 -0.83 -1.77 121.76 127.78 3cyn s ALA 105 Ca -0.02 -0.91 -0.01 0.00 0.00 0.00 0.00 51.96 51.02 3cyn s ALA 105 Cb -0.20 -2.34 0.07 0.00 0.00 0.00 0.00 23.12 20.65 3cyn s ALA 105 CO -0.04 -0.23 0.02 -0.06 0.00 0.00 0.00 175.76 175.45 3cyn s PHE 106 N 1.14 3.37 0.57 0.00 0.08 -0.10 -1.15 117.98 121.88 3cyn s PHE 106 Ca 0.07 -2.12 -0.20 0.00 0.12 0.00 0.00 56.93 54.80 3cyn s PHE 106 Cb -0.14 -2.35 -0.04 0.00 -0.57 0.00 0.00 43.02 39.92 3cyn s PHE 106 CO 0.05 -0.85 1.26 -2.14 -0.10 0.00 0.00 175.22 173.44 3cyn s PRO 107 N 1.18 3.05 -0.19 0.24 0.02 -1.26 -1.31 135.00 136.73 3cyn s PRO 107 Ca -0.02 1.98 -0.13 0.00 0.02 0.00 0.00 61.00 62.85 3cyn s PRO 107 Cb -0.20 -2.07 0.06 0.00 0.02 0.00 0.00 34.50 32.31 3cyn s PRO 107 CO -0.03 -1.18 0.48 0.00 -0.33 0.00 0.00 177.00 175.94 3cyn n ASN 109 N 3.79 4.63 -0.55 0.00 5.15 -1.26 -4.07 115.26 122.94 3cyn n ASN 109 Ca -0.20 -2.46 0.14 0.00 -0.60 0.00 0.00 54.58 51.46 3cyn n ASN 109 Cb 0.56 -0.56 0.43 0.00 -0.53 0.00 0.00 39.78 39.68 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 0.99 1.72 -3.92 1.20 6.02 -1.26 -3.54 117.38 118.59 3cyn n GLN 110 Ca 0.25 -1.11 -0.30 0.00 -0.01 0.00 0.00 57.00 55.83 3cyn n GLN 110 Cb 0.87 -1.48 -0.14 0.00 1.02 0.00 0.00 30.24 30.51 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 -2.04 3.07 -1.08 1.08 0.08 -1.26 -4.68 117.98 113.15 3cyn s PHE 111 Ca 0.35 -2.91 0.00 0.00 0.12 0.00 0.00 56.93 54.49 3cyn s PHE 111 Cb 0.21 -2.63 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 3cyn s PHE 111 CO 0.35 -0.82 0.00 0.41 -0.10 0.00 0.00 175.22 175.06 3cyn n GLY 112 N 3.64 0.91 4.04 4.36 0.00 -1.26 -3.13 105.19 113.75 3cyn n GLY 112 Ca 0.05 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.25 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 -2.00 -0.08 1.61 1.02 -1.23 -4.87 120.64 112.55 3cyn n GLU 113 Ca -0.11 0.28 0.12 0.00 -0.02 0.00 0.00 57.16 57.43 3cyn n GLU 113 Cb 0.41 -3.96 0.29 0.00 -0.02 0.00 0.00 31.44 28.15 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 -2.82 2.49 -3.19 1.62 7.64 -1.18 -4.30 113.62 113.88 3cyn n SER 114 Ca -0.27 -1.83 -0.22 0.00 1.01 0.00 0.00 58.87 57.56 3cyn n SER 114 Cb 0.66 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.70 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 0.89 1.28 0.21 1.43 4.07 -1.26 -0.81 120.64 126.45 3cyn n GLU 115 Ca 0.17 -3.61 0.10 0.00 -0.06 0.00 0.00 57.16 53.75 3cyn n GLU 115 Cb 0.48 -1.63 0.35 0.00 -0.06 0.00 0.00 31.44 30.58 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 3.51 0.00 -7.15 5.31 0.13 -1.94 -3.40 132.00 128.46 3cyn h PRO 116 Ca 0.10 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.75 3cyn h PRO 116 Cb 0.85 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.00 3cyn h PRO 116 CO 0.55 0.22 0.32 1.03 -0.23 0.00 0.00 178.00 179.90 3cyn s ARG 117 N -3.44 3.83 0.71 0.86 1.81 -1.26 -5.03 118.95 116.43 3cyn s ARG 117 Ca 0.02 0.79 -0.16 0.00 -1.72 0.00 0.00 55.73 54.66 3cyn s ARG 117 Cb 0.09 -2.18 0.02 0.00 -0.45 0.00 0.00 34.95 32.43 3cyn s ARG 117 CO 0.65 -0.28 1.27 -2.14 -0.68 0.00 0.00 175.30 174.12 3cyn s PRO 118 N -4.27 2.21 0.27 3.54 0.02 -1.26 -4.72 135.00 130.80 3cyn s PRO 118 Ca 0.56 1.96 -0.00 0.00 0.02 0.00 0.00 61.00 63.54 3cyn s PRO 118 Cb -0.10 -1.82 0.53 0.00 0.02 0.00 0.00 34.50 33.13 3cyn s PRO 118 CO 0.36 -1.83 1.79 0.77 -0.33 0.00 0.00 177.00 177.76 3cyn h SER 119 N 0.03 0.67 -0.62 2.53 0.02 -1.96 -0.51 113.55 113.70 3cyn h SER 119 Ca -0.49 0.07 -0.04 0.00 -0.84 0.00 0.00 61.79 60.49 3cyn h SER 119 Cb 1.32 -0.04 -0.03 0.00 0.14 0.00 0.00 62.40 63.79 3cyn h SER 119 CO 0.51 0.31 0.23 0.50 -1.14 0.00 0.00 176.83 177.24 3cyn h LYS 120 N 0.75 0.98 -0.15 3.45 3.64 -1.91 -2.27 116.57 121.05 3cyn h LYS 120 Ca 0.47 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.54 3cyn h LYS 120 Cb 0.59 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3cyn h LYS 120 CO -0.32 0.82 -0.47 0.93 -2.27 0.00 0.00 179.45 178.13 3cyn h GLU 121 N 0.95 0.39 -0.40 1.90 5.08 -1.49 -2.52 114.58 118.50 3cyn h GLU 121 Ca 0.22 -0.22 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 3cyn h GLU 121 Cb 0.23 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.48 3cyn h GLU 121 CO -0.01 0.79 0.16 0.28 -1.00 0.00 0.00 179.01 179.22 3cyn h VAL 122 N 0.32 1.20 -0.49 3.13 2.07 -0.93 0.06 116.25 121.60 3cyn h VAL 122 Ca 0.02 -0.60 0.00 0.00 0.82 0.00 0.00 66.70 66.94 3cyn h VAL 122 Cb 0.95 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 3cyn h VAL 122 CO 0.08 0.22 0.32 -0.08 0.02 0.00 0.00 177.57 178.13 3cyn h GLU 123 N 0.50 0.65 -0.25 1.57 4.81 -1.37 -2.17 114.58 118.31 3cyn h GLU 123 Ca 0.13 -0.04 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 3cyn h GLU 123 Cb 0.19 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.41 3cyn h GLU 123 CO -0.01 0.43 -0.26 0.66 -0.73 0.00 0.00 179.01 179.11 3cyn h SER 124 N 0.66 0.49 -0.31 1.04 4.64 -1.25 -1.70 113.55 117.12 3cyn h SER 124 Ca 0.18 -0.17 0.06 0.00 -0.47 0.00 0.00 61.79 61.39 3cyn h SER 124 Cb -0.07 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.83 3cyn h SER 124 CO -0.04 0.74 -0.10 0.15 -0.87 0.00 0.00 176.83 176.72 3cyn h PHE 125 N 0.43 -0.22 -0.32 4.77 3.57 -0.74 0.22 116.94 124.64 3cyn h PHE 125 Ca 0.06 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 3cyn h PHE 125 Cb 0.68 0.15 -0.01 0.00 2.79 0.00 0.00 35.95 39.55 3cyn h PHE 125 CO 0.02 -0.16 0.12 0.00 -2.23 0.00 0.00 178.31 176.06 3cyn h ALA 126 N 1.26 0.42 -0.34 2.41 0.00 -1.17 -0.98 119.26 120.86 3cyn h ALA 126 Ca 0.15 -0.13 -0.12 0.00 0.00 0.00 0.00 54.91 54.81 3cyn h ALA 126 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3cyn h ALA 126 CO -0.34 0.02 -0.26 0.00 0.00 0.00 0.00 179.25 178.68 3cyn h ARG 127 N 0.37 0.78 -0.13 0.00 2.47 -1.13 -1.10 114.38 115.63 3cyn h ARG 127 Ca 0.11 -0.38 -0.04 0.00 -1.26 0.00 0.00 59.98 58.40 3cyn h ARG 127 Cb 0.19 -0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.51 3cyn h ARG 127 CO -0.01 1.01 -0.08 0.87 0.56 0.00 0.00 179.97 182.32 3cyn h LYS 128 N 0.56 0.28 0.00 0.04 1.79 -0.53 -0.86 116.57 117.85 3cyn h LYS 128 Ca 0.06 -0.13 -0.18 0.00 -2.18 0.00 0.00 60.65 58.22 3cyn h LYS 128 Cb 0.83 -0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.44 3cyn h LYS 128 CO 0.07 0.63 -1.16 -0.91 -1.08 0.00 0.00 179.45 177.00 3cyn h ASN 129 N -0.08 0.00 0.00 0.86 2.35 -1.22 -3.40 115.58 114.10 3cyn h ASN 129 Ca 0.03 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.78 3cyn h ASN 129 Cb 0.56 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.93 3cyn h ASN 129 CO 0.02 0.71 -0.49 -1.22 -1.65 0.00 0.00 177.43 174.80 3cyn n TYR 130 N -3.08 0.00 -2.28 1.19 4.01 -0.43 -5.03 117.16 111.54 3cyn n TYR 130 Ca -0.06 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.50 3cyn n TYR 130 Cb 0.87 0.00 -0.01 0.00 -0.31 0.00 0.00 39.34 39.89 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 1.65 -0.21 3.78 2.72 0.00 -0.33 -4.98 105.19 107.82 3cyn n GLY 131 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.87 3.63 -0.75 1.61 -7.23 -1.25 -4.95 120.40 108.59 3cyn s VAL 132 Ca 0.00 1.33 0.07 0.00 -1.81 0.00 0.00 61.98 61.56 3cyn s VAL 132 Cb 0.00 -3.72 0.09 0.00 0.56 0.00 0.00 36.38 33.30 3cyn s VAL 132 CO 0.00 0.08 0.83 0.35 -0.31 0.00 0.00 175.10 176.05 3cyn n THR 133 N 0.17 0.27 -1.98 5.32 -2.24 -1.26 -4.65 114.28 109.92 3cyn n THR 133 Ca 0.04 -0.64 -0.32 0.00 -2.27 0.00 0.00 64.05 60.86 3cyn n THR 133 Cb 0.48 0.96 0.01 0.00 -2.10 0.00 0.00 70.33 69.69 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 -0.67 3.19 0.22 4.78 -0.71 -1.26 -4.99 117.98 118.53 3cyn s PHE 134 Ca 0.09 1.46 -0.30 0.00 -1.04 0.00 0.00 56.93 57.14 3cyn s PHE 134 Cb 0.06 -2.90 -0.09 0.00 -1.21 0.00 0.00 43.02 38.88 3cyn s PHE 134 CO 0.09 -0.94 1.37 -1.25 -1.34 0.00 0.00 175.22 173.15 3cyn s PRO 135 N -4.43 4.33 -0.32 1.99 0.04 -1.25 -4.96 135.00 130.40 3cyn s PRO 135 Ca 0.60 2.17 -0.05 0.00 0.04 0.00 0.00 61.00 63.76 3cyn s PRO 135 Cb -0.14 -3.16 0.04 0.00 0.04 0.00 0.00 34.50 31.28 3cyn s PRO 135 CO 0.42 -0.33 0.06 0.42 0.04 0.00 0.00 177.00 177.60 3cyn s ILE 136 N 0.10 3.49 0.89 0.56 -1.09 -1.26 -1.96 121.20 121.93 3cyn s ILE 136 Ca 0.58 -1.15 -0.10 0.00 -2.23 0.00 0.00 60.65 57.75 3cyn s ILE 136 Cb -0.39 -2.95 0.19 0.00 -1.58 0.00 0.00 42.46 37.73 3cyn s ILE 136 CO 0.40 -0.10 1.21 -0.36 -1.23 0.00 0.00 174.94 174.86 3cyn s PHE 137 N 1.36 1.32 0.58 3.97 0.08 -0.30 -3.70 117.98 121.29 3cyn s PHE 137 Ca -0.02 -0.02 -0.20 0.00 0.12 0.00 0.00 56.93 56.80 3cyn s PHE 137 Cb -0.19 -3.71 -0.03 0.00 -0.57 0.00 0.00 43.02 38.52 3cyn s PHE 137 CO 0.01 -2.41 1.31 -1.58 -0.10 0.00 0.00 175.22 172.46 3cyn s HIS 138 N -3.63 2.24 0.35 0.36 2.46 -0.27 -4.32 115.29 112.48 3cyn s HIS 138 Ca 0.73 1.43 -0.28 0.00 0.47 0.00 0.00 55.06 57.41 3cyn s HIS 138 Cb -0.03 -3.72 -0.12 0.00 -0.13 0.00 0.00 32.58 28.58 3cyn s HIS 138 CO 0.50 -2.79 1.27 1.17 -2.47 0.00 0.00 174.74 172.42 3cyn n LYS 139 N -1.39 2.07 -4.33 2.88 4.81 -1.26 -4.31 118.16 116.62 3cyn n LYS 139 Ca 0.13 0.73 -0.17 0.00 -0.87 0.00 0.00 58.31 58.12 3cyn n LYS 139 Cb 0.47 -2.31 -0.10 0.00 0.02 0.00 0.00 35.03 33.10 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 -1.11 0.92 0.03 3.15 -4.36 -0.44 -4.98 121.20 114.41 3cyn s ILE 140 Ca 0.56 -2.02 -0.07 0.00 -0.26 0.00 0.00 60.65 58.86 3cyn s ILE 140 Cb -0.56 -2.45 -0.05 0.00 1.25 0.00 0.00 42.46 40.65 3cyn s ILE 140 CO 0.62 -0.23 0.30 -0.54 0.24 0.00 0.00 174.94 175.33 3cyn s LYS 141 N -3.91 3.62 -0.02 0.37 1.02 -1.26 -4.38 119.74 115.19 3cyn s LYS 141 Ca 0.31 -0.02 -0.00 0.00 0.02 0.00 0.00 55.97 56.28 3cyn s LYS 141 Cb 0.07 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.31 3cyn s LYS 141 CO 0.10 0.62 -0.02 -0.89 -0.92 0.00 0.00 175.35 174.24 3cyn n ILE 142 N 1.03 0.13 -3.00 2.17 5.41 -1.26 -0.68 119.36 123.16 3cyn n ILE 142 Ca -0.10 -0.05 -0.32 0.00 1.00 0.00 0.00 62.75 63.28 3cyn n ILE 142 Cb 0.53 -0.84 -0.05 0.00 -0.71 0.00 0.00 39.64 38.57 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 -5.40 3.97 0.00 1.39 1.43 -1.26 -4.58 118.68 114.22 3cyn s LEU 143 Ca -0.03 1.27 0.00 0.00 -1.03 0.00 0.00 54.13 54.33 3cyn s LEU 143 Cb 0.01 -4.10 0.00 0.00 0.03 0.00 0.00 46.19 42.13 3cyn s LEU 143 CO 0.05 -0.29 0.00 0.61 0.23 0.00 0.00 176.35 176.95 3cyn n GLY 144 N -0.72 -2.57 0.22 -3.19 0.00 -1.26 -4.22 105.19 93.45 3cyn n GLY 144 Ca 0.03 -1.77 0.04 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 0.07 -0.39 1.61 4.64 -2.02 -2.77 113.55 114.69 3cyn h SER 145 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3cyn h SER 145 Cb 0.00 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.07 3cyn h SER 145 CO 0.00 0.27 0.01 -0.62 -0.87 0.00 0.00 176.83 175.62 3cyn n GLU 146 N -4.28 3.54 -1.83 4.77 4.71 -1.26 -4.98 120.64 121.31 3cyn n GLU 146 Ca -0.02 -2.08 -0.41 0.00 -0.01 0.00 0.00 57.16 54.63 3cyn n GLU 146 Cb 0.27 -2.01 -0.02 0.00 -1.01 0.00 0.00 31.44 28.68 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 -0.51 2.22 -0.14 0.62 0.00 -1.05 -4.65 107.32 103.81 3cyn s GLY 147 Ca 0.36 1.52 -0.34 0.00 0.00 0.00 0.00 44.72 46.26 3cyn s GLY 147 CO 0.10 2.47 1.96 -2.21 0.00 0.00 0.00 173.10 175.43 3cyn n GLU 148 N 2.08 2.01 -0.34 2.90 4.07 0.14 -4.84 120.64 126.66 3cyn n GLU 148 Ca 0.07 0.70 0.16 0.00 -0.06 0.00 0.00 57.16 58.03 3cyn n GLU 148 Cb 0.38 -2.69 0.37 0.00 -0.06 0.00 0.00 31.44 29.44 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 10.29 0.64 -0.60 5.31 0.11 -1.91 -0.35 132.00 145.49 3cyn h PRO 149 Ca -0.45 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3cyn h PRO 149 Cb 1.27 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 3cyn h PRO 149 CO 0.96 0.42 0.38 0.00 -0.21 0.00 0.00 178.00 179.55 3cyn h ALA 150 N 1.67 0.76 -0.05 -0.75 0.00 -1.90 -1.81 119.26 117.18 3cyn h ALA 150 Ca 0.60 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 55.28 3cyn h ALA 150 Cb 1.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 3cyn h ALA 150 CO -0.40 0.21 -0.73 0.35 0.00 0.00 0.00 179.25 178.68 3cyn h PHE 151 N 0.81 0.41 0.00 0.00 3.57 -1.66 -2.89 116.94 117.18 3cyn h PHE 151 Ca 0.22 -0.19 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3cyn h PHE 151 Cb -0.06 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 38.61 3cyn h PHE 151 CO -0.03 0.93 -0.12 0.00 -2.23 0.00 0.00 178.31 176.86 3cyn h ARG 152 N 0.20 0.00 -0.47 1.11 2.47 -0.91 -1.59 114.38 115.18 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 1.30 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.58 3cyn h ARG 152 CO 0.12 0.12 0.27 0.35 0.56 0.00 0.00 179.97 181.39 3cyn h PHE 153 N 0.00 0.50 -0.75 3.04 3.57 -1.11 0.17 116.94 122.36 3cyn h PHE 153 Ca -0.00 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.51 3cyn h PHE 153 Cb 0.24 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.78 3cyn h PHE 153 CO 0.00 0.27 0.44 -0.07 -2.23 0.00 0.00 178.31 176.73 3cyn h LEU 154 N 0.53 0.90 -0.15 0.59 3.38 -1.32 -0.50 115.31 118.75 3cyn h LEU 154 Ca 0.19 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.06 3cyn h LEU 154 Cb 0.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.56 3cyn h LEU 154 CO -0.10 0.71 -0.04 0.58 0.09 0.00 0.00 178.44 179.68 3cyn h VAL 155 N 1.02 1.29 -0.48 1.22 2.07 -0.99 -1.63 116.25 118.75 3cyn h VAL 155 Ca 0.27 -1.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.71 3cyn h VAL 155 Cb -0.02 1.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 3cyn h VAL 155 CO -0.05 0.29 -0.00 0.44 0.02 0.00 0.00 177.57 178.27 3cyn h ASP 156 N -0.02 0.76 0.11 0.57 3.32 -0.60 0.33 116.42 120.90 3cyn h ASP 156 Ca 0.04 -0.19 -0.01 0.00 0.02 0.00 0.00 57.03 56.90 3cyn h ASP 156 Cb 0.47 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3cyn h ASP 156 CO 0.02 0.83 -0.05 0.28 -1.72 0.00 0.00 179.24 178.59 3cyn h SER 157 N 0.74 -0.13 1.35 6.45 0.02 -1.06 -3.28 113.55 117.65 3cyn h SER 157 Ca 0.14 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 3cyn h SER 157 Cb 0.45 0.03 0.00 0.00 0.14 0.00 0.00 62.40 63.03 3cyn h SER 157 CO 0.02 0.15 -0.28 0.77 -1.14 0.00 0.00 176.83 176.35 3cyn h SER 158 N -0.42 0.00 -2.48 3.07 4.64 -1.21 -3.48 113.55 113.67 3cyn h SER 158 Ca -0.02 -0.06 -0.41 0.00 -0.47 0.00 0.00 61.79 60.83 3cyn h SER 158 Cb 0.34 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.37 3cyn h SER 158 CO 0.03 0.03 -0.49 0.29 -0.87 0.00 0.00 176.83 175.82 3cyn n LYS 159 N -2.42 -1.64 -3.85 4.77 4.76 0.12 -4.99 118.16 114.90 3cyn n LYS 159 Ca 0.04 1.06 -0.29 0.00 -2.87 0.00 0.00 58.31 56.24 3cyn n LYS 159 Cb 0.46 -5.64 -0.16 0.00 -1.84 0.00 0.00 35.03 27.85 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 -4.68 1.22 0.05 1.97 -0.14 -1.09 -5.03 119.74 112.04 3cyn s LYS 160 Ca 0.00 -0.75 -0.24 0.00 -1.36 0.00 0.00 55.97 53.62 3cyn s LYS 160 Cb 0.00 -2.39 -0.06 0.00 -1.68 0.00 0.00 37.83 33.70 3cyn s LYS 160 CO 0.00 -0.62 0.71 -2.00 -0.76 0.00 0.00 175.35 172.69 3cyn s GLU 161 N 1.59 4.45 0.39 1.68 2.12 -1.26 -4.51 118.70 123.15 3cyn s GLU 161 Ca -0.04 0.98 -0.27 0.00 0.36 0.00 0.00 54.97 56.00 3cyn s GLU 161 Cb -0.18 -3.34 -0.11 0.00 0.26 0.00 0.00 34.13 30.77 3cyn s GLU 161 CO -0.07 0.37 1.45 -2.30 -0.54 0.00 0.00 175.26 174.17 3cyn n PRO 162 N 2.54 2.51 0.00 4.30 -0.02 -1.26 -4.90 135.00 138.17 3cyn n PRO 162 Ca -0.04 0.88 0.05 0.00 -2.02 0.00 0.00 63.50 62.37 3cyn n PRO 162 Cb 0.50 -2.62 0.02 0.00 -0.02 0.00 0.00 33.50 31.38 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 0.29 1.16 -3.86 -0.52 5.12 -1.26 -5.00 116.66 112.59 3cyn n ARG 163 Ca 0.03 -0.87 -0.05 0.00 -1.93 0.00 0.00 57.85 55.03 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 -0.46 -1.93 0.00 0.00 177.63 175.24 3cyn s TRP 164 N -1.04 0.09 0.48 -1.55 -0.11 -1.26 -5.02 118.94 110.53 3cyn s TRP 164 Ca 0.10 -0.60 -0.24 0.00 1.22 0.00 0.00 56.10 56.58 3cyn s TRP 164 Cb 0.08 0.76 -0.07 0.00 -1.50 0.00 0.00 33.47 32.74 3cyn s TRP 164 CO 0.17 -1.17 1.36 -0.80 -4.62 0.00 0.00 176.95 171.89 3cyn s ASN 165 N -3.29 5.72 -0.24 5.86 0.01 -1.26 -4.15 114.94 117.59 3cyn s ASN 165 Ca 0.20 2.77 0.00 0.00 -0.71 0.00 0.00 52.86 55.11 3cyn s ASN 165 Cb -0.04 -2.64 0.00 0.00 0.41 0.00 0.00 41.25 38.98 3cyn s ASN 165 CO 0.08 -1.27 0.00 0.49 -1.51 0.00 0.00 177.10 174.89 3cyn n PHE 166 N -0.50 -0.13 -2.15 2.20 3.72 0.83 -4.72 117.46 116.71 3cyn n PHE 166 Ca 0.07 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.11 3cyn n PHE 166 Cb 0.44 -1.37 0.01 0.00 -0.94 0.00 0.00 39.48 37.62 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 -2.14 2.60 -0.01 1.38 0.52 -1.26 -3.87 118.94 116.15 3cyn s TRP 167 Ca 0.00 1.52 0.02 0.00 0.02 0.00 0.00 56.10 57.66 3cyn s TRP 167 Cb 0.00 -3.41 0.00 0.00 -1.15 0.00 0.00 33.47 28.91 3cyn s TRP 167 CO 0.00 -1.86 -0.07 0.15 0.02 0.00 0.00 176.95 175.19 3cyn s LYS 168 N -3.14 0.62 -0.07 4.98 1.02 -0.67 -2.96 119.74 119.52 3cyn s LYS 168 Ca 0.72 -0.22 0.01 0.00 0.02 0.00 0.00 55.97 56.50 3cyn s LYS 168 Cb -0.28 -0.61 0.02 0.00 -0.52 0.00 0.00 37.83 36.44 3cyn s LYS 168 CO 0.32 0.11 -0.09 0.71 -0.92 0.00 0.00 175.35 175.48 3cyn s TYR 169 N 0.05 1.29 -0.22 3.18 2.02 0.28 -0.35 117.35 123.60 3cyn s TYR 169 Ca -0.00 -0.51 -0.17 0.00 -0.37 0.00 0.00 57.07 56.02 3cyn s TYR 169 Cb -0.05 -1.02 -0.03 0.00 -0.40 0.00 0.00 41.96 40.46 3cyn s TYR 169 CO -0.00 -0.32 0.47 -1.17 -1.57 0.00 0.00 175.55 172.96 3cyn s LEU 170 N 1.03 4.11 -0.14 -1.29 2.96 0.66 -0.09 118.68 125.91 3cyn s LEU 170 Ca -0.08 0.55 -0.02 0.00 -0.22 0.00 0.00 54.13 54.36 3cyn s LEU 170 Cb -0.15 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 43.91 3cyn s LEU 170 CO -0.00 -0.18 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.06 3cyn s VAL 171 N 1.76 3.37 0.76 1.68 1.01 0.66 -0.55 120.40 129.09 3cyn s VAL 171 Ca 0.21 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.55 3cyn s VAL 171 Cb -0.15 -2.45 0.07 0.00 0.00 0.00 0.00 36.38 33.85 3cyn s VAL 171 CO 0.09 0.51 1.10 0.54 0.00 0.00 0.00 175.10 177.33 3cyn s ASN 172 N 0.43 4.64 0.64 3.32 2.20 0.07 -1.13 114.94 125.11 3cyn s ASN 172 Ca -0.07 0.59 0.27 0.00 -0.94 0.00 0.00 52.86 52.71 3cyn s ASN 172 Cb -0.15 -1.16 1.41 0.00 -2.00 0.00 0.00 41.25 39.35 3cyn s ASN 172 CO 0.04 -1.76 1.81 -0.65 -2.94 0.00 0.00 177.10 173.60 3cyn h PRO 173 N -0.83 0.00 -0.02 3.55 0.11 -1.84 0.14 132.00 133.12 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 1.32 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 -0.03 0.39 -0.21 0.00 0.00 178.00 178.77 3cyn n GLU 174 N -3.10 1.75 -0.80 1.05 1.02 -1.26 -1.01 120.64 118.30 3cyn n GLU 174 Ca 0.02 -1.17 0.00 0.00 -0.02 0.00 0.00 57.16 55.99 3cyn n GLU 174 Cb 0.56 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.50 3cyn n GLU 174 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3cyn n GLY 175 N 1.24 0.57 3.89 0.62 0.00 0.04 -4.77 105.19 106.78 3cyn n GLY 175 Ca 0.17 -0.27 -0.35 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.63 3.47 -0.04 1.61 -1.52 -1.26 -0.36 119.66 120.93 3cyn s GLN 176 Ca 0.00 -0.20 -0.30 0.00 -1.95 0.00 0.00 55.36 52.91 3cyn s GLN 176 Cb 0.00 -3.14 -0.03 0.00 -0.22 0.00 0.00 33.01 29.63 3cyn s GLN 176 CO 0.00 0.72 1.06 0.08 -0.25 0.00 0.00 175.29 176.90 3cyn s VAL 177 N -1.20 4.62 -0.03 1.09 1.01 -1.26 -0.75 120.40 123.88 3cyn s VAL 177 Ca 0.22 1.89 0.10 0.00 0.00 0.00 0.00 61.98 64.19 3cyn s VAL 177 Cb -0.13 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.90 3cyn s VAL 177 CO 0.12 0.06 0.17 1.33 0.00 0.00 0.00 175.10 176.79 3cyn n VAL 178 N 4.30 0.14 -3.54 2.92 0.24 0.29 -4.95 118.33 117.73 3cyn n VAL 178 Ca 0.08 -0.26 -0.16 0.00 -2.04 0.00 0.00 64.34 61.96 3cyn n VAL 178 Cb 0.49 0.04 -0.06 0.00 -1.47 0.00 0.00 33.84 32.84 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 -2.58 1.05 0.16 7.34 2.20 -1.22 -5.01 119.74 121.68 3cyn s LYS 179 Ca -0.04 0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.69 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 0.40 -0.35 -0.12 -0.59 -0.36 0.00 0.00 175.35 174.33 3cyn s PHE 180 N -1.68 1.42 0.01 4.03 -0.12 -1.26 -0.25 117.98 120.13 3cyn s PHE 180 Ca -0.09 -0.67 0.03 0.00 -0.05 0.00 0.00 56.93 56.15 3cyn s PHE 180 Cb -0.01 -0.70 -0.01 0.00 -0.63 0.00 0.00 43.02 41.67 3cyn s PHE 180 CO 0.05 0.18 -0.08 -1.58 -0.05 0.00 0.00 175.22 173.74 3cyn s TRP 181 N -3.00 0.73 0.62 3.49 0.51 0.52 -4.99 118.94 116.82 3cyn s TRP 181 Ca 0.17 -0.22 -0.13 0.00 -2.12 0.00 0.00 56.10 53.80 3cyn s TRP 181 Cb 0.00 -0.45 -0.03 0.00 -0.81 0.00 0.00 33.47 32.18 3cyn s TRP 181 CO 0.03 -0.02 1.04 1.03 -0.51 0.00 0.00 176.95 178.52 3cyn s ARG 182 N -0.55 3.38 0.59 4.98 0.52 -1.26 -1.67 118.95 124.95 3cyn s ARG 182 Ca 0.00 0.94 0.29 0.00 -0.52 0.00 0.00 55.73 56.45 3cyn s ARG 182 Cb -0.05 -2.05 1.70 0.00 0.52 0.00 0.00 34.95 35.08 3cyn s ARG 182 CO 0.00 -0.74 2.12 -1.35 0.02 0.00 0.00 175.30 175.35 3cyn h PRO 183 N -0.09 0.00 0.00 3.54 0.11 -1.85 -1.88 132.00 131.83 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 1.20 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3cyn h PRO 183 CO 0.59 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.77 3cyn n GLU 184 N -3.76 0.17 -2.75 1.05 4.71 -1.26 -4.82 120.64 113.97 3cyn n GLU 184 Ca 0.01 0.29 -0.42 0.00 -0.01 0.00 0.00 57.16 57.03 3cyn n GLU 184 Cb 0.29 -1.76 -0.03 0.00 -1.01 0.00 0.00 31.44 28.93 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 4.45 0.65 3.49 2.02 -0.71 -5.02 118.70 120.42 3cyn s GLU 185 Ca 0.08 1.31 -0.11 0.00 0.02 0.00 0.00 54.97 56.27 3cyn s GLU 185 Cb 0.11 -3.51 -0.02 0.00 0.10 0.00 0.00 34.13 30.81 3cyn s GLU 185 CO 0.45 -0.20 1.05 -1.25 0.02 0.00 0.00 175.26 175.33 3cyn s PRO 186 N 1.62 3.32 0.48 0.39 0.04 -1.26 -4.93 135.00 134.65 3cyn s PRO 186 Ca 0.47 0.76 0.21 0.00 0.04 0.00 0.00 61.00 62.48 3cyn s PRO 186 Cb -0.19 -2.05 1.24 0.00 0.04 0.00 0.00 34.50 33.54 3cyn s PRO 186 CO 0.20 -0.78 1.95 0.82 0.04 0.00 0.00 177.00 179.24 3cyn h ILE 187 N -0.47 0.75 -0.93 0.56 1.08 -1.97 -0.96 117.51 115.57 3cyn h ILE 187 Ca -0.44 -0.07 0.20 0.00 -0.39 0.00 0.00 64.86 64.16 3cyn h ILE 187 Cb 1.20 0.53 -0.07 0.00 -3.07 0.00 0.00 36.82 35.41 3cyn h ILE 187 CO 0.61 0.04 0.60 -0.33 -0.69 0.00 0.00 178.15 178.38 3cyn h GLU 188 N 0.20 0.47 -0.01 2.37 3.07 -2.01 0.21 114.58 118.88 3cyn h GLU 188 Ca 0.32 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 59.15 3cyn h GLU 188 Cb 0.98 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3cyn h GLU 188 CO -0.06 0.31 -0.66 1.33 -1.40 0.00 0.00 179.01 178.53 3cyn n VAL 189 N -4.56 0.00 -0.08 3.13 0.24 -0.38 -4.27 118.33 112.41 3cyn n VAL 189 Ca 0.20 -0.10 -0.21 0.00 -2.04 0.00 0.00 64.34 62.19 3cyn n VAL 189 Cb 0.67 0.87 -0.12 0.00 -1.47 0.00 0.00 33.84 33.80 3cyn n VAL 189 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 3cyn h ILE 190 N 0.91 0.99 -0.85 1.34 2.04 -1.11 -3.41 117.51 117.43 3cyn h ILE 190 Ca 0.00 -2.22 0.17 0.00 1.00 0.00 0.00 64.86 63.80 3cyn h ILE 190 Cb 0.58 2.40 -0.16 0.00 -0.74 0.00 0.00 36.82 38.90 3cyn h ILE 190 CO 0.00 0.42 -0.24 0.03 0.00 0.00 0.00 178.15 178.36 3cyn h ARG 191 N -0.87 -0.01 0.00 2.37 3.08 -0.83 -2.50 114.38 115.63 3cyn h ARG 191 Ca -0.32 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.73 3cyn h ARG 191 Cb 1.36 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.41 3cyn h ARG 191 CO -0.15 -0.01 -0.01 -1.35 -1.07 0.00 0.00 179.97 177.38 3cyn h PRO 192 N -0.01 0.00 0.20 0.04 0.11 -1.79 0.21 132.00 130.76 3cyn h PRO 192 Ca 0.39 0.00 -0.32 0.00 0.11 0.00 0.00 66.00 66.18 3cyn h PRO 192 Cb 0.62 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.76 3cyn h PRO 192 CO -0.88 0.01 -1.38 -0.44 -0.21 0.00 0.00 178.00 175.11 3cyn h ASP 193 N 0.00 0.86 0.61 -2.05 3.32 -1.71 -2.12 116.42 115.33 3cyn h ASP 193 Ca -0.00 -0.86 -0.03 0.00 0.02 0.00 0.00 57.03 56.16 3cyn h ASP 193 Cb 0.03 -0.28 0.01 0.00 0.22 0.00 0.00 39.33 39.31 3cyn h ASP 193 CO 0.00 1.67 -0.29 0.40 -1.72 0.00 0.00 179.24 179.30 3cyn h ILE 194 N 0.20 0.38 -0.75 0.35 2.04 -1.35 -1.70 117.51 116.67 3cyn h ILE 194 Ca -0.23 -0.12 0.17 0.00 1.00 0.00 0.00 64.86 65.69 3cyn h ILE 194 Cb 2.06 0.42 -0.13 0.00 -0.74 0.00 0.00 36.82 38.44 3cyn h ILE 194 CO 0.26 0.02 0.04 0.00 0.00 0.00 0.00 178.15 178.47 3cyn h ALA 195 N -0.54 0.83 -0.62 1.87 0.00 -0.71 0.19 119.26 120.28 3cyn h ALA 195 Ca -0.08 0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 3cyn h ALA 195 Cb 0.65 0.38 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 3cyn h ALA 195 CO 0.14 -0.41 0.05 0.00 0.00 0.00 0.00 179.25 179.02 3cyn h ALA 196 N 1.69 0.92 0.05 0.00 0.00 -1.32 -1.86 119.26 118.73 3cyn h ALA 196 Ca 0.42 -0.29 -0.24 0.00 0.00 0.00 0.00 54.91 54.80 3cyn h ALA 196 Cb 0.74 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3cyn h ALA 196 CO -0.63 0.66 -1.13 1.25 0.00 0.00 0.00 179.25 179.39 3cyn h LEU 197 N 0.97 0.15 -0.23 0.00 5.85 -0.35 -3.17 115.31 118.53 3cyn h LEU 197 Ca 0.18 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.69 3cyn h LEU 197 Cb 0.49 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.46 3cyn h LEU 197 CO 0.02 1.13 -0.04 0.58 -0.34 0.00 0.00 178.44 179.80 3cyn h VAL 198 N 0.03 1.28 -0.96 1.05 2.07 -0.65 -2.81 116.25 116.25 3cyn h VAL 198 Ca -0.07 -1.00 0.20 0.00 0.82 0.00 0.00 66.70 66.65 3cyn h VAL 198 Cb 1.86 1.47 -0.11 0.00 -1.52 0.00 0.00 31.29 32.98 3cyn h VAL 198 CO 0.15 0.31 0.54 -0.09 0.02 0.00 0.00 177.57 178.50 3cyn h ARG 199 N 0.17 0.62 -0.12 1.57 2.43 -1.39 -1.60 114.38 116.07 3cyn h ARG 199 Ca 0.06 -0.04 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 3cyn h ARG 199 Cb 0.48 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.89 3cyn h ARG 199 CO 0.02 0.41 -0.77 1.96 -1.51 0.00 0.00 179.97 180.08 3cyn h GLN 200 N 0.64 0.65 -0.44 0.20 1.08 -1.50 -1.75 115.11 113.99 3cyn h GLN 200 Ca 0.57 -0.53 -0.05 0.00 -1.45 0.00 0.00 58.65 57.18 3cyn h GLN 200 Cb 0.95 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 28.47 3cyn h GLN 200 CO -0.42 1.15 0.05 -0.24 -0.95 0.00 0.00 178.83 178.42 3cyn h VAL 201 N 0.44 1.22 -0.17 -0.54 3.04 -1.16 0.63 116.25 119.71 3cyn h VAL 201 Ca -0.05 -0.83 -0.04 0.00 -1.01 0.00 0.00 66.70 64.77 3cyn h VAL 201 Cb 1.38 0.82 -0.00 0.00 -2.01 0.00 0.00 31.29 31.47 3cyn h VAL 201 CO 0.15 0.30 -0.07 0.40 -1.01 0.00 0.00 177.57 177.34 3cyn h ILE 202 N 0.66 1.31 -0.34 3.17 2.04 -1.14 -0.74 117.51 122.47 3cyn h ILE 202 Ca 0.14 -1.09 0.04 0.00 1.00 0.00 0.00 64.86 64.95 3cyn h ILE 202 Cb 0.33 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 38.06 3cyn h ILE 202 CO 0.01 0.32 0.10 0.40 0.00 0.00 0.00 178.15 178.98 3cyn h ILE 203 N 0.02 0.88 -0.27 -0.67 2.04 -1.18 -2.59 117.51 115.75 3cyn h ILE 203 Ca 0.04 -0.08 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3cyn h ILE 203 Cb 0.53 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 3cyn h ILE 203 CO 0.02 0.04 -0.15 0.50 0.00 0.00 0.00 178.15 178.56 3cyn h LYS 204 N 0.23 0.46 -0.10 2.37 1.63 -0.73 -0.75 116.57 119.69 3cyn h LYS 204 Ca 0.16 -0.14 -0.14 0.00 -0.85 0.00 0.00 60.65 59.68 3cyn h LYS 204 Cb 0.15 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 3cyn h LYS 204 CO -0.18 0.60 -0.55 0.87 -3.45 0.00 0.00 179.45 176.75 3cyn h LYS 205 N 0.42 0.28 0.01 1.90 6.56 -0.96 -1.58 116.57 123.21 3cyn h LYS 205 Ca 0.08 -0.18 -0.00 0.00 -1.06 0.00 0.00 60.65 59.49 3cyn h LYS 205 Cb 0.52 0.02 0.00 0.00 -0.57 0.00 0.00 32.23 32.20 3cyn h LYS 205 CO 0.03 0.76 -0.01 0.87 -2.06 0.00 0.00 179.45 179.04 3cyn h LYS 206 N 0.22 -0.02 -0.07 3.15 1.57 -1.06 -3.38 116.57 116.97 3cyn h LYS 206 Ca 0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 3cyn h LYS 206 Cb 1.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 3cyn h LYS 206 CO 0.09 0.65 -0.22 0.93 -0.57 0.00 0.00 179.45 180.33 3cyn h GLU 207 N -0.72 0.28 -6.42 3.15 5.08 -1.22 -3.45 114.58 111.28 3cyn h GLU 207 Ca -0.00 -0.20 -0.54 0.00 -1.00 0.00 0.00 59.36 57.61 3cyn h GLU 207 Cb 0.68 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.93 3cyn h GLU 207 CO 0.00 0.82 0.04 -0.51 -1.00 0.00 0.00 179.01 178.37 3cyn s ASP 208 N -6.23 7.07 0.00 1.42 -0.00 -0.60 -5.09 116.67 113.25 3cyn s ASP 208 Ca -0.15 1.35 0.18 0.00 -0.00 0.00 0.00 52.55 53.93 3cyn s ASP 208 Cb 0.03 -2.39 1.06 0.00 -0.00 0.00 0.00 42.92 41.62 3cyn s ASP 208 CO 0.75 0.15 1.46 0.18 -0.00 0.00 0.00 175.17 177.71