#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2hey s HIS 30 N 0.00 -0.25 0.04 1.96 5.65 -1.26 -5.15 115.29 116.28 2hey s HIS 30 Ca 0.00 0.50 0.07 0.00 0.25 0.00 0.00 55.06 55.88 2hey s HIS 30 Cb 0.00 -0.27 -0.03 0.00 -1.18 0.00 0.00 32.58 31.10 2hey s HIS 30 CO 0.00 -0.43 -0.19 0.00 -0.65 0.00 0.00 174.74 173.47 2hey s VAL 32 N -0.91 0.55 0.00 0.00 -7.23 -1.26 -5.00 120.40 106.54 2hey s VAL 32 Ca 0.14 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.31 2hey s VAL 32 Cb -0.10 -2.60 0.00 0.00 0.56 0.00 0.00 36.38 34.24 2hey s VAL 32 CO 0.05 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 2hey n GLY 33 N -0.54 2.79 2.14 2.32 0.00 -1.26 -3.23 105.19 107.40 2hey n GLY 33 Ca -0.00 -0.34 -0.23 0.00 0.00 0.00 0.00 46.02 45.44 2hey n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2hey n ASP 34 N 3.20 6.75 -4.44 1.61 8.00 -1.26 -4.89 116.55 125.53 2hey n ASP 34 Ca 0.00 -3.26 -0.21 0.00 0.71 0.00 0.00 54.79 52.02 2hey n ASP 34 Cb 0.00 -1.08 -0.10 0.00 -0.02 0.00 0.00 41.12 39.92 2hey n ASP 34 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2hey s THR 35 N -2.88 1.43 0.01 -3.53 -4.23 -1.20 -1.75 115.64 103.50 2hey s THR 35 Ca 0.44 -2.06 0.01 0.00 -1.18 0.00 0.00 61.69 58.90 2hey s THR 35 Cb 0.33 -2.60 -0.01 0.00 1.34 0.00 0.00 72.50 71.56 2hey s THR 35 CO -0.07 -0.17 -0.05 -0.72 -0.54 0.00 0.00 174.62 173.08 2hey s TYR 36 N -3.14 0.40 0.03 3.99 1.13 0.03 -4.76 117.35 115.03 2hey s TYR 36 Ca 0.32 -0.24 -0.30 0.00 -1.41 0.00 0.00 57.07 55.44 2hey s TYR 36 Cb 0.06 -0.25 -0.04 0.00 -1.10 0.00 0.00 41.96 40.63 2hey s TYR 36 CO 0.13 -0.05 1.02 -1.25 -2.51 0.00 0.00 175.55 172.89 2hey s PRO 37 N -0.68 4.55 -0.26 -3.49 0.04 -1.26 -0.75 135.00 133.15 2hey s PRO 37 Ca -0.04 1.50 -0.17 0.00 0.04 0.00 0.00 61.00 62.33 2hey s PRO 37 Cb -0.05 -3.42 0.07 0.00 0.04 0.00 0.00 34.50 31.14 2hey s PRO 37 CO -0.00 -0.06 0.65 0.45 0.04 0.00 0.00 177.00 178.08 2hey s SER 38 N 0.88 -0.82 -1.49 6.66 0.15 -0.12 -4.97 113.70 113.98 2hey s SER 38 Ca 0.53 1.39 -0.11 0.00 0.70 0.00 0.00 55.95 58.45 2hey s SER 38 Cb -0.23 1.30 0.07 0.00 -1.71 0.00 0.00 66.02 65.45 2hey s SER 38 CO 0.29 -0.23 0.94 0.59 1.20 0.00 0.00 173.24 176.03 2hey n ASN 39 N 3.85 -4.23 -1.25 5.45 3.02 -1.26 -1.70 115.26 119.13 2hey n ASN 39 Ca -0.19 -0.78 -0.14 0.00 -0.03 0.00 0.00 54.58 53.45 2hey n ASN 39 Cb 0.57 -3.93 -0.04 0.00 -0.61 0.00 0.00 39.78 35.78 2hey n ASN 39 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 2hey n ASP 40 N -2.88 -4.46 -3.52 6.41 2.03 -1.26 -5.00 116.55 107.88 2hey n ASP 40 Ca -0.02 0.19 -0.13 0.00 0.52 0.00 0.00 54.79 55.36 2hey n ASP 40 Cb 0.55 -3.35 -0.05 0.00 -0.72 0.00 0.00 41.12 37.55 2hey n ASP 40 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2hey s ARG 41 N -3.78 1.76 -0.10 -0.67 1.04 -0.69 -5.01 118.95 111.50 2hey s ARG 41 Ca 0.00 -1.61 -0.03 0.00 -1.04 0.00 0.00 55.73 53.05 2hey s ARG 41 Cb 0.00 0.44 -0.03 0.00 -2.04 0.00 0.00 34.95 33.31 2hey s ARG 41 CO 0.00 -0.72 0.03 0.00 -0.04 0.00 0.00 175.30 174.56 2hey s HIS 44 N -0.99 3.68 0.76 0.00 3.76 -1.26 -0.79 115.29 120.46 2hey s HIS 44 Ca 0.12 1.46 -0.11 0.00 -0.15 0.00 0.00 55.06 56.38 2hey s HIS 44 Cb -0.10 -2.88 0.05 0.00 1.11 0.00 0.00 32.58 30.76 2hey s HIS 44 CO 0.04 0.17 1.08 -1.21 -0.85 0.00 0.00 174.74 173.98 2hey s GLU 45 N 0.36 2.38 0.40 1.40 2.02 -0.72 -4.89 118.70 119.65 2hey s GLU 45 Ca 0.41 0.95 -0.24 0.00 0.02 0.00 0.00 54.97 56.10 2hey s GLU 45 Cb -0.20 -1.93 -0.09 0.00 0.10 0.00 0.00 34.13 32.02 2hey s GLU 45 CO 0.23 -1.49 1.09 0.00 0.02 0.00 0.00 175.26 175.10 2hey s ARG 47 N -2.44 2.61 0.28 0.00 1.81 -1.26 -1.67 118.95 118.28 2hey s ARG 47 Ca 0.58 -0.27 -0.28 0.00 -1.72 0.00 0.00 55.73 54.03 2hey s ARG 47 Cb -0.25 -2.30 -0.14 0.00 -0.45 0.00 0.00 34.95 31.81 2hey s ARG 47 CO 0.31 -0.85 1.04 -2.30 -0.68 0.00 0.00 175.30 172.82 2hey n PRO 48 N -2.62 1.39 -0.59 3.54 -0.02 -1.23 -1.88 135.00 133.59 2hey n PRO 48 Ca 0.06 0.49 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 2hey n PRO 48 Cb 0.59 -1.88 0.00 0.00 -0.02 0.00 0.00 33.50 32.19 2hey n PRO 48 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hey n GLY 49 N 1.27 0.78 3.00 -1.23 0.00 0.10 -4.86 105.19 104.25 2hey n GLY 49 Ca 0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.01 2hey n GLY 49 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2hey s ASN 50 N -2.80 0.39 0.14 1.61 -0.87 -0.79 -1.58 114.94 111.05 2hey s ASN 50 Ca 0.00 -0.49 0.09 0.00 -1.57 0.00 0.00 52.86 50.90 2hey s ASN 50 Cb 0.00 0.08 -0.04 0.00 -0.02 0.00 0.00 41.25 41.27 2hey s ASN 50 CO 0.00 -0.26 -0.22 -0.83 -2.57 0.00 0.00 177.10 173.22 2hey s GLY 51 N -1.42 1.44 0.01 0.66 0.00 -0.05 -4.56 107.32 103.40 2hey s GLY 51 Ca -0.14 -1.44 -0.27 0.00 0.00 0.00 0.00 44.72 42.88 2hey s GLY 51 CO -0.01 -1.46 0.83 -0.29 0.00 0.00 0.00 173.10 172.18 2hey s MET 52 N -2.35 4.52 -0.20 2.90 1.75 -0.72 -0.75 119.30 124.45 2hey s MET 52 Ca 0.13 1.16 -0.08 0.00 -1.25 0.00 0.00 55.69 55.65 2hey s MET 52 Cb -0.08 -3.42 -0.20 0.00 2.84 0.00 0.00 34.83 33.97 2hey s MET 52 CO 0.06 0.11 0.05 0.28 -0.65 0.00 0.00 175.02 174.88 2hey n VAL 53 N 3.41 1.62 -3.67 10.11 0.31 0.10 -3.95 118.33 126.25 2hey n VAL 53 Ca 0.01 -0.49 -0.12 0.00 -0.01 0.00 0.00 64.34 63.73 2hey n VAL 53 Cb 0.51 -1.71 -0.08 0.00 -0.91 0.00 0.00 33.84 31.64 2hey n VAL 53 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2hey s SER 54 N -6.92 -0.65 0.77 4.52 1.04 -0.98 -5.00 113.70 106.48 2hey s SER 54 Ca -0.30 1.19 -0.11 0.00 0.48 0.00 0.00 55.95 57.22 2hey s SER 54 Cb 0.08 1.17 0.05 0.00 0.10 0.00 0.00 66.02 67.43 2hey s SER 54 CO 0.65 -0.21 1.08 -0.13 0.98 0.00 0.00 173.24 175.62 2hey s ARG 55 N 0.65 2.28 1.02 4.02 0.52 -1.26 -0.38 118.95 125.79 2hey s ARG 55 Ca -0.03 1.06 -0.11 0.00 -0.52 0.00 0.00 55.73 56.13 2hey s ARG 55 Cb -0.05 -1.91 0.20 0.00 0.52 0.00 0.00 34.95 33.72 2hey s ARG 55 CO -0.04 -1.59 1.09 0.00 0.02 0.00 0.00 175.30 174.78 2hey n SER 57 N -4.49 -0.05 -0.08 0.00 3.41 -0.34 -4.91 113.62 107.16 2hey n SER 57 Ca 0.08 -1.12 0.05 0.00 -0.26 0.00 0.00 58.87 57.62 2hey n SER 57 Cb 0.53 0.11 0.40 0.00 -0.26 0.00 0.00 64.21 64.99 2hey n SER 57 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2hey h ARG 58 N 0.00 0.61 0.00 4.33 2.43 -1.95 -3.23 114.38 116.58 2hey h ARG 58 Ca -0.01 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2hey h ARG 58 Cb 0.07 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 2hey h ARG 58 CO 0.02 0.41 -0.14 0.43 -1.51 0.00 0.00 179.97 179.17 2hey n SER 59 N -4.47 1.03 -4.06 -3.80 7.64 -1.26 -5.06 113.62 103.64 2hey n SER 59 Ca 0.06 -2.04 -0.14 0.00 1.01 0.00 0.00 58.87 57.77 2hey n SER 59 Cb 0.14 -0.17 -0.12 0.00 -1.01 0.00 0.00 64.21 63.05 2hey n SER 59 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2hey s GLN 60 N -0.95 0.55 0.65 1.43 -1.52 -1.22 -5.16 119.66 113.44 2hey s GLN 60 Ca 0.08 -0.69 -0.11 0.00 -1.95 0.00 0.00 55.36 52.69 2hey s GLN 60 Cb 0.07 -0.36 -0.02 0.00 -0.22 0.00 0.00 33.01 32.48 2hey s GLN 60 CO 0.01 0.07 1.05 -0.80 -0.25 0.00 0.00 175.29 175.37 2hey s ASN 61 N -1.37 5.94 0.30 5.90 0.02 -1.26 -1.20 114.94 123.26 2hey s ASN 61 Ca -0.07 1.31 -0.29 0.00 -1.02 0.00 0.00 52.86 52.78 2hey s ASN 61 Cb -0.09 -2.26 -0.13 0.00 0.02 0.00 0.00 41.25 38.79 2hey s ASN 61 CO 0.00 -1.04 1.31 0.41 0.02 0.00 0.00 177.10 177.80 2hey n THR 62 N -2.84 1.59 -3.86 1.60 -1.04 -1.26 -4.31 114.28 104.16 2hey n THR 62 Ca 0.06 -0.40 -0.36 0.00 -2.04 0.00 0.00 64.05 61.32 2hey n THR 62 Cb 0.55 -1.47 -0.13 0.00 -1.82 0.00 0.00 70.33 67.46 2hey n THR 62 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hey s VAL 63 N -0.69 3.23 0.10 12.58 1.01 0.48 -4.90 120.40 132.22 2hey s VAL 63 Ca 0.61 -1.28 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2hey s VAL 63 Cb -0.61 -2.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.89 2hey s VAL 63 CO 0.57 -0.11 -0.05 0.00 0.00 0.00 0.00 175.10 175.51 2hey s ARG 65 N -2.31 0.76 0.37 0.00 1.81 0.07 -4.91 118.95 114.74 2hey s ARG 65 Ca 0.24 -0.45 -0.27 0.00 -1.72 0.00 0.00 55.73 53.53 2hey s ARG 65 Cb -0.11 -0.72 -0.11 0.00 -0.45 0.00 0.00 34.95 33.55 2hey s ARG 65 CO 0.16 0.19 1.28 -2.30 -0.68 0.00 0.00 175.30 173.95 2hey n PRO 66 N 2.54 2.05 -1.92 3.54 -0.02 -1.26 -0.87 135.00 139.05 2hey n PRO 66 Ca -0.15 0.72 -0.42 0.00 -2.02 0.00 0.00 63.50 61.63 2hey n PRO 66 Cb 0.56 -2.34 -0.02 0.00 -0.02 0.00 0.00 33.50 31.67 2hey n PRO 66 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hey s GLY 68 N 0.66 1.69 0.19 0.00 0.00 -1.26 -4.89 107.32 103.71 2hey s GLY 68 Ca 0.64 -0.96 -0.33 0.00 0.00 0.00 0.00 44.72 44.07 2hey s GLY 68 CO 0.40 -0.27 1.56 -1.05 0.00 0.00 0.00 173.10 173.74 2hey n PRO 69 N -3.80 2.21 -0.70 2.90 -0.02 -1.26 -1.83 135.00 132.49 2hey n PRO 69 Ca 0.12 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.40 2hey n PRO 69 Cb 0.60 -2.55 0.00 0.00 -0.02 0.00 0.00 33.50 31.53 2hey n PRO 69 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hey n GLY 70 N 3.14 0.79 3.26 -1.23 0.00 -1.26 -5.04 105.19 104.83 2hey n GLY 70 Ca 0.15 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.00 2hey n GLY 70 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2hey s PHE 71 N -2.95 1.41 0.19 1.61 0.40 -0.76 -0.96 117.98 116.92 2hey s PHE 71 Ca 0.00 -0.60 -0.12 0.00 -0.60 0.00 0.00 56.93 55.61 2hey s PHE 71 Cb 0.00 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.81 2hey s PHE 71 CO 0.00 0.16 0.39 1.52 0.70 0.00 0.00 175.22 177.99 2hey s TYR 72 N -2.51 0.23 -0.16 0.36 1.13 0.04 -4.43 117.35 112.00 2hey s TYR 72 Ca 0.12 -0.58 -0.04 0.00 -1.41 0.00 0.00 57.07 55.16 2hey s TYR 72 Cb -0.03 0.13 0.08 0.00 -1.10 0.00 0.00 41.96 41.04 2hey s TYR 72 CO 0.03 -0.83 0.26 1.21 -2.51 0.00 0.00 175.55 173.72 2hey s ASN 73 N -2.95 0.59 0.00 -0.18 2.47 0.16 -0.76 114.94 114.27 2hey s ASN 73 Ca 0.15 0.36 0.25 0.00 0.42 0.00 0.00 52.86 54.04 2hey s ASN 73 Cb 0.01 0.66 0.36 0.00 -1.45 0.00 0.00 41.25 40.83 2hey s ASN 73 CO 0.01 -0.27 1.33 -0.90 -3.72 0.00 0.00 177.10 173.55 2hey n ASP 74 N 5.34 1.92 -4.34 -4.21 5.75 -1.25 -0.72 116.55 119.04 2hey n ASP 74 Ca -0.06 -1.46 -0.17 0.00 -0.01 0.00 0.00 54.79 53.09 2hey n ASP 74 Cb 0.50 0.23 -0.10 0.00 -1.03 0.00 0.00 41.12 40.72 2hey n ASP 74 CO 0.00 0.00 0.00 0.68 -0.11 0.00 0.00 177.20 177.77 2hey s VAL 75 N -2.32 0.67 0.06 2.12 -7.23 -1.26 -4.86 120.40 107.58 2hey s VAL 75 Ca 0.24 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.11 2hey s VAL 75 Cb 0.19 -2.66 -0.06 0.00 0.56 0.00 0.00 36.38 34.42 2hey s VAL 75 CO 0.47 -0.01 1.20 -0.69 -0.31 0.00 0.00 175.10 175.76 2hey s VAL 76 N -3.68 4.03 0.22 1.32 1.01 -1.26 -3.57 120.40 118.47 2hey s VAL 76 Ca 0.37 1.45 -0.15 0.00 0.00 0.00 0.00 61.98 63.66 2hey s VAL 76 Cb 0.08 -3.93 0.01 0.00 0.00 0.00 0.00 36.38 32.54 2hey s VAL 76 CO 0.14 0.11 0.49 -0.94 0.00 0.00 0.00 175.10 174.90 2hey s SER 77 N 1.06 -0.14 -0.25 3.32 1.04 -0.67 -4.98 113.70 113.08 2hey s SER 77 Ca 0.59 -0.74 0.09 0.00 0.48 0.00 0.00 55.95 56.37 2hey s SER 77 Cb -0.30 0.57 0.44 0.00 0.10 0.00 0.00 66.02 66.84 2hey s SER 77 CO 0.29 -1.09 1.23 -1.20 0.98 0.00 0.00 173.24 173.45 2hey n SER 78 N -0.35 3.05 -4.34 7.02 7.64 -1.26 -1.20 113.62 124.18 2hey n SER 78 Ca -0.06 -3.84 -0.19 0.00 1.01 0.00 0.00 58.87 55.80 2hey n SER 78 Cb 0.62 -0.47 -0.10 0.00 -1.01 0.00 0.00 64.21 63.25 2hey n SER 78 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 2hey s LYS 79 N -3.39 1.31 1.01 1.43 1.02 -1.26 -4.75 119.74 115.12 2hey s LYS 79 Ca 0.44 -1.56 -0.12 0.00 0.02 0.00 0.00 55.97 54.75 2hey s LYS 79 Cb 0.39 -1.12 0.17 0.00 -0.52 0.00 0.00 37.83 36.76 2hey s LYS 79 CO -0.02 0.19 0.96 -2.30 -0.92 0.00 0.00 175.35 173.25 2hey n PRO 80 N -0.30 -1.09 -1.18 -1.68 -0.02 -1.25 -1.76 135.00 127.71 2hey n PRO 80 Ca -0.09 -0.27 -0.32 0.00 -2.02 0.00 0.00 63.50 60.81 2hey n PRO 80 Cb 0.60 -2.22 0.11 0.00 -0.02 0.00 0.00 33.50 31.97 2hey n PRO 80 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2hey s LYS 82 N -4.62 2.67 0.48 0.00 1.02 0.06 -4.84 119.74 114.50 2hey s LYS 82 Ca 0.65 -0.80 -0.23 0.00 0.02 0.00 0.00 55.97 55.61 2hey s LYS 82 Cb -0.20 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.43 2hey s LYS 82 CO 0.54 0.54 1.25 -2.14 -0.92 0.00 0.00 175.35 174.62 2hey s PRO 83 N -2.39 3.59 0.52 -1.68 0.02 -1.26 -0.78 135.00 133.02 2hey s PRO 83 Ca 0.27 1.99 -0.20 0.00 0.02 0.00 0.00 61.00 63.08 2hey s PRO 83 Cb -0.12 -2.42 -0.07 0.00 0.02 0.00 0.00 34.50 31.91 2hey s PRO 83 CO 0.20 -0.75 1.08 0.00 -0.33 0.00 0.00 177.00 177.20 2hey s THR 85 N -1.90 4.23 0.01 0.00 2.01 -1.26 -5.01 115.64 113.73 2hey s THR 85 Ca 0.70 1.81 -0.15 0.00 0.31 0.00 0.00 61.69 64.36 2hey s THR 85 Cb -0.20 -4.04 -0.06 0.00 0.01 0.00 0.00 72.50 68.21 2hey s THR 85 CO 0.24 0.20 0.42 0.26 -0.69 0.00 0.00 174.62 175.05 2hey s TRP 86 N -1.55 3.73 0.22 4.92 0.52 -1.26 -4.62 118.94 120.89 2hey s TRP 86 Ca 0.48 1.01 -0.30 0.00 0.02 0.00 0.00 56.10 57.31 2hey s TRP 86 Cb -0.19 -2.30 -0.08 0.00 -1.15 0.00 0.00 33.47 29.74 2hey s TRP 86 CO 0.25 0.63 0.94 0.00 0.02 0.00 0.00 176.95 178.78 2hey s ASN 88 N -1.00 6.53 0.33 0.00 3.04 -0.83 -4.85 114.94 118.17 2hey s ASN 88 Ca 0.42 -1.60 0.05 0.00 0.04 0.00 0.00 52.86 51.77 2hey s ASN 88 Cb -0.25 -2.57 0.57 0.00 -1.54 0.00 0.00 41.25 37.45 2hey s ASN 88 CO 0.31 -1.48 1.83 -0.07 -3.04 0.00 0.00 177.10 174.66 2hey h LEU 89 N 12.85 0.43 -0.86 3.21 3.38 -1.86 -2.45 115.31 130.01 2hey h LEU 89 Ca 0.24 -0.10 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2hey h LEU 89 Cb 0.99 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.61 2hey h LEU 89 CO 1.43 0.58 -0.52 0.03 0.09 0.00 0.00 178.44 180.06 2hey h ARG 90 N 0.42 0.14 0.00 1.13 3.08 -1.88 -2.99 114.38 114.28 2hey h ARG 90 Ca 0.08 -0.08 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2hey h ARG 90 Cb 0.46 0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.51 2hey h ARG 90 CO 0.03 0.63 0.00 0.66 -1.07 0.00 0.00 179.97 180.21 2hey h SER 91 N 0.11 0.00 0.00 7.04 4.64 -1.80 -3.47 113.55 120.07 2hey h SER 91 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2hey h SER 91 Cb 0.95 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2hey h SER 91 CO 0.07 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.64 2hey n GLY 92 N 0.77 1.18 3.76 -0.77 0.00 -1.13 -4.20 105.19 104.81 2hey n GLY 92 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2hey n GLY 92 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2hey s SER 93 N -1.09 5.60 -0.01 1.61 0.15 -0.95 -2.04 113.70 116.96 2hey s SER 93 Ca 0.00 2.32 0.02 0.00 0.70 0.00 0.00 55.95 58.99 2hey s SER 93 Cb 0.00 -2.60 -0.00 0.00 -1.71 0.00 0.00 66.02 61.71 2hey s SER 93 CO 0.00 -1.31 -0.06 -1.61 1.20 0.00 0.00 173.24 171.46 2hey s GLU 94 N -3.15 0.53 -0.12 5.44 2.02 0.66 -4.20 118.70 119.88 2hey s GLU 94 Ca 0.72 -0.22 -0.29 0.00 0.02 0.00 0.00 54.97 55.20 2hey s GLU 94 Cb -0.28 -0.52 -0.02 0.00 0.10 0.00 0.00 34.13 33.41 2hey s GLU 94 CO 0.32 0.12 1.25 0.50 0.02 0.00 0.00 175.26 177.48 2hey s ARG 95 N -0.08 4.27 -0.17 1.61 3.52 -1.26 -1.66 118.95 125.18 2hey s ARG 95 Ca 0.02 1.68 -0.14 0.00 -0.13 0.00 0.00 55.73 57.16 2hey s ARG 95 Cb -0.03 -3.69 -0.08 0.00 -1.56 0.00 0.00 34.95 29.58 2hey s ARG 95 CO -0.00 -0.62 -0.09 1.17 -0.81 0.00 0.00 175.30 174.95 2hey n LYS 96 N 6.09 0.50 -4.86 5.12 4.81 -0.34 -4.97 118.16 124.51 2hey n LYS 96 Ca 0.13 0.50 -0.27 0.00 -0.87 0.00 0.00 58.31 57.80 2hey n LYS 96 Cb 0.45 -1.67 -0.16 0.00 0.02 0.00 0.00 35.03 33.67 2hey n LYS 96 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2hey s GLN 97 N -2.35 1.96 0.71 1.64 0.74 -1.21 -5.02 119.66 116.12 2hey s GLN 97 Ca -0.22 -0.62 -0.16 0.00 0.05 0.00 0.00 55.36 54.42 2hey s GLN 97 Cb 0.04 -1.65 0.03 0.00 1.10 0.00 0.00 33.01 32.53 2hey s GLN 97 CO 0.36 0.21 1.22 -0.51 -0.55 0.00 0.00 175.29 176.01 2hey s LEU 98 N 0.17 3.38 0.31 3.68 1.43 -1.26 -2.09 118.68 124.31 2hey s LEU 98 Ca -0.07 2.38 -0.29 0.00 -1.03 0.00 0.00 54.13 55.12 2hey s LEU 98 Cb -0.13 -4.59 -0.10 0.00 0.03 0.00 0.00 46.19 41.40 2hey s LEU 98 CO 0.03 -2.16 1.21 0.00 0.23 0.00 0.00 176.35 175.66 2hey n THR 100 N 0.92 0.00 -0.04 0.00 5.66 -0.46 -4.94 114.28 115.42 2hey n THR 100 Ca -0.00 -1.42 -0.02 0.00 -3.05 0.00 0.00 64.05 59.55 2hey n THR 100 Cb 0.43 0.20 0.23 0.00 -1.55 0.00 0.00 70.33 69.64 2hey n THR 100 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2hey h ALA 101 N 1.08 1.22 -0.01 1.79 0.00 -1.90 -3.21 119.26 118.22 2hey h ALA 101 Ca -0.25 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.42 2hey h ALA 101 Cb 0.77 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2hey h ALA 101 CO 0.41 0.51 -0.39 0.25 0.00 0.00 0.00 179.25 180.02 2hey n THR 102 N -4.23 0.00 -3.73 0.00 -2.24 -1.26 0.40 114.28 103.22 2hey n THR 102 Ca 0.02 -0.23 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 2hey n THR 102 Cb 0.29 1.01 -0.11 0.00 -2.10 0.00 0.00 70.33 69.42 2hey n THR 102 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 2hey s GLN 103 N -2.46 0.38 0.76 -0.78 0.74 -1.21 -3.87 119.66 113.21 2hey s GLN 103 Ca 0.21 0.60 -0.11 0.00 0.05 0.00 0.00 55.36 56.11 2hey s GLN 103 Cb 0.19 0.08 0.04 0.00 1.10 0.00 0.00 33.01 34.42 2hey s GLN 103 CO 0.54 -0.10 1.08 0.34 -0.55 0.00 0.00 175.29 176.60 2hey s ASP 104 N 0.76 4.80 0.27 6.67 2.15 -1.26 -1.36 116.67 128.70 2hey s ASP 104 Ca -0.05 1.57 -0.28 0.00 0.43 0.00 0.00 52.55 54.22 2hey s ASP 104 Cb -0.06 -2.35 -0.15 0.00 -0.30 0.00 0.00 42.92 40.06 2hey s ASP 104 CO -0.05 -1.81 0.94 0.41 -0.17 0.00 0.00 175.17 174.49 2hey n THR 105 N -3.36 1.92 -3.57 1.71 -1.04 -1.26 -4.64 114.28 104.05 2hey n THR 105 Ca 0.08 -0.48 -0.39 0.00 -2.04 0.00 0.00 64.05 61.21 2hey n THR 105 Cb 0.54 -0.83 -0.11 0.00 -1.82 0.00 0.00 70.33 68.11 2hey n THR 105 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2hey s VAL 106 N -0.99 5.16 -0.07 12.58 1.01 -0.89 -4.90 120.40 132.30 2hey s VAL 106 Ca 0.60 -0.17 0.03 0.00 0.00 0.00 0.00 61.98 62.45 2hey s VAL 106 Cb -0.75 -3.60 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 2hey s VAL 106 CO 0.59 0.06 -0.17 0.00 0.00 0.00 0.00 175.10 175.58 2hey s ARG 108 N -0.38 0.53 0.19 0.00 1.81 -0.66 -4.28 118.95 116.16 2hey s ARG 108 Ca 0.04 -0.65 -0.30 0.00 -1.72 0.00 0.00 55.73 53.10 2hey s ARG 108 Cb -0.12 -0.35 -0.08 0.00 -0.45 0.00 0.00 34.95 33.95 2hey s ARG 108 CO 0.02 0.07 0.94 0.00 -0.68 0.00 0.00 175.30 175.65 2hey s ARG 110 N -0.76 -0.05 0.42 0.00 1.70 -0.87 -0.40 118.95 118.99 2hey s ARG 110 Ca 0.43 0.14 -0.26 0.00 -0.47 0.00 0.00 55.73 55.57 2hey s ARG 110 Cb -0.25 -1.71 -0.09 0.00 -0.57 0.00 0.00 34.95 32.33 2hey s ARG 110 CO 0.31 -2.97 1.34 0.00 -1.08 0.00 0.00 175.30 172.90 2hey s ALA 111 N -3.15 3.27 0.00 7.88 0.00 -1.24 -2.74 121.76 125.79 2hey s ALA 111 Ca 0.68 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.95 2hey s ALA 111 Cb -0.13 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.47 2hey s ALA 111 CO 0.56 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.79 2hey n GLY 112 N 0.64 0.80 3.19 0.00 0.00 -0.16 -4.75 105.19 104.91 2hey n GLY 112 Ca 0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 2hey n GLY 112 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2hey s THR 113 N -3.13 0.27 -0.02 2.61 -4.23 -1.11 -2.19 115.64 107.84 2hey s THR 113 Ca 0.00 -1.95 -0.02 0.00 -1.18 0.00 0.00 61.69 58.54 2hey s THR 113 Cb 0.00 -2.17 0.00 0.00 1.34 0.00 0.00 72.50 71.67 2hey s THR 113 CO 0.00 -0.37 0.05 -1.58 -0.54 0.00 0.00 174.62 172.18 2hey s GLN 114 N -4.03 0.08 0.81 3.99 0.74 0.10 -4.65 119.66 116.70 2hey s GLN 114 Ca 0.27 0.04 -0.11 0.00 0.05 0.00 0.00 55.36 55.61 2hey s GLN 114 Cb 0.07 0.04 0.08 0.00 1.10 0.00 0.00 33.01 34.30 2hey s GLN 114 CO 0.05 -0.01 1.12 -2.14 -0.55 0.00 0.00 175.29 173.76 2hey s PRO 115 N -0.05 1.84 -0.02 1.67 0.02 -1.26 -0.10 135.00 137.09 2hey s PRO 115 Ca -0.01 1.38 -0.02 0.00 0.02 0.00 0.00 61.00 62.37 2hey s PRO 115 Cb -0.01 -1.83 -0.01 0.00 0.02 0.00 0.00 34.50 32.67 2hey s PRO 115 CO 0.00 -1.99 -0.04 1.28 -0.33 0.00 0.00 177.00 175.92 2hey n LEU 116 N -3.62 0.26 -4.89 -5.54 4.77 -0.64 -4.77 117.00 102.56 2hey n LEU 116 Ca 0.11 0.12 -0.29 0.00 -0.03 0.00 0.00 56.01 55.91 2hey n LEU 116 Cb 0.52 -0.54 0.15 0.00 -2.33 0.00 0.00 43.42 41.23 2hey n LEU 116 CO 0.51 -0.48 0.82 -1.81 -1.33 0.00 0.00 177.39 175.10 2hey s ASP 117 N -4.13 3.46 -0.21 -1.43 1.11 -1.26 -5.05 116.67 109.16 2hey s ASP 117 Ca -0.03 0.52 -0.05 0.00 0.18 0.00 0.00 52.55 53.16 2hey s ASP 117 Cb 0.00 -0.77 -0.11 0.00 1.07 0.00 0.00 42.92 43.11 2hey s ASP 117 CO 0.05 -2.54 -0.24 -0.24 1.18 0.00 0.00 175.17 173.38 2hey n SER 118 N -3.69 1.92 0.18 0.27 2.88 -1.26 -4.36 113.62 109.57 2hey n SER 118 Ca 0.12 0.10 0.06 0.00 -1.33 0.00 0.00 58.87 57.82 2hey n SER 118 Cb 0.60 -0.50 0.26 0.00 -0.75 0.00 0.00 64.21 63.81 2hey n SER 118 CO 0.00 0.00 0.00 1.88 -1.23 0.00 0.00 175.04 175.69 2hey h TYR 119 N -0.44 0.00 -2.05 0.66 0.05 -2.06 -3.35 116.97 109.77 2hey h TYR 119 Ca -0.51 0.00 -0.56 0.00 0.05 0.00 0.00 58.73 57.71 2hey h TYR 119 Cb 1.58 0.00 -0.40 0.00 1.01 0.00 0.00 36.73 38.92 2hey h TYR 119 CO -0.03 0.36 -0.99 0.36 -1.05 0.00 0.00 178.16 176.81 2hey n LYS 120 N -3.35 1.25 -2.39 4.88 2.85 -1.26 -5.12 118.16 115.01 2hey n LYS 120 Ca 0.01 -3.63 -0.42 0.00 -1.05 0.00 0.00 58.31 53.22 2hey n LYS 120 Cb 0.57 -1.55 -0.03 0.00 -0.65 0.00 0.00 35.03 33.37 2hey n LYS 120 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2hey s PRO 121 N -1.73 4.38 0.00 -1.58 0.04 -1.26 -3.68 135.00 131.17 2hey s PRO 121 Ca 0.37 1.78 0.00 0.00 0.04 0.00 0.00 61.00 63.19 2hey s PRO 121 Cb 0.20 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.28 2hey s PRO 121 CO -0.09 -0.38 0.00 0.41 0.04 0.00 0.00 177.00 176.98 2hey n GLY 122 N 3.35 1.08 0.09 0.56 0.00 -1.26 -4.81 105.19 104.21 2hey n GLY 122 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2hey n GLY 122 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2hey h VAL 123 N 0.00 1.25 -3.52 1.61 2.07 -1.75 -3.07 116.25 112.85 2hey h VAL 123 Ca 0.00 -2.27 -0.64 0.00 0.82 0.00 0.00 66.70 64.61 2hey h VAL 123 Cb 0.00 2.71 -0.21 0.00 -1.52 0.00 0.00 31.29 32.27 2hey h VAL 123 CO 0.00 0.47 -0.62 -1.81 0.02 0.00 0.00 177.57 175.63 2hey s ASP 124 N -6.65 5.16 0.37 0.57 1.01 -1.26 -1.96 116.67 113.91 2hey s ASP 124 Ca -0.24 -0.14 0.08 0.00 0.71 0.00 0.00 52.55 52.96 2hey s ASP 124 Cb 0.02 -1.91 -0.07 0.00 1.01 0.00 0.00 42.92 41.98 2hey s ASP 124 CO 0.65 0.04 -0.05 0.00 0.21 0.00 0.00 175.17 176.02 2hey s ALA 126 N -2.67 -0.32 0.73 0.00 0.00 0.86 -4.75 121.76 115.61 2hey s ALA 126 Ca 0.34 0.09 -0.14 0.00 0.00 0.00 0.00 51.96 52.24 2hey s ALA 126 Cb 0.06 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 23.17 2hey s ALA 126 CO 0.17 -0.14 1.18 -2.14 0.00 0.00 0.00 175.76 174.83 2hey s PRO 127 N -0.72 2.18 0.40 0.00 0.02 -1.26 0.03 135.00 135.65 2hey s PRO 127 Ca -0.08 1.66 -0.26 0.00 0.02 0.00 0.00 61.00 62.34 2hey s PRO 127 Cb -0.05 -1.85 -0.09 0.00 0.02 0.00 0.00 34.50 32.54 2hey s PRO 127 CO 0.01 -1.78 1.33 0.00 -0.33 0.00 0.00 177.00 176.22 2hey s PRO 129 N -2.22 0.72 0.17 0.00 0.02 -1.26 -4.91 135.00 127.52 2hey s PRO 129 Ca 0.56 0.82 -0.34 0.00 0.02 0.00 0.00 61.00 62.07 2hey s PRO 129 Cb -0.39 -1.75 -0.14 0.00 0.02 0.00 0.00 34.50 32.24 2hey s PRO 129 CO 0.51 -2.61 1.50 -2.30 -0.33 0.00 0.00 177.00 173.77 2hey n PRO 130 N -4.14 1.99 -0.95 5.54 -0.02 -1.26 -2.33 135.00 133.83 2hey n PRO 130 Ca 0.06 0.72 0.00 0.00 -2.02 0.00 0.00 63.50 62.26 2hey n PRO 130 Cb 0.55 -2.44 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2hey n PRO 130 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hey n GLY 131 N 3.00 0.43 3.40 -1.23 0.00 -1.26 -5.05 105.19 104.48 2hey n GLY 131 Ca 0.16 -0.84 -0.22 0.00 0.00 0.00 0.00 46.02 45.11 2hey n GLY 131 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2hey s HIS 132 N -2.00 2.02 0.16 1.61 3.76 -0.99 -1.69 115.29 118.17 2hey s HIS 132 Ca 0.00 -0.43 0.04 0.00 -0.15 0.00 0.00 55.06 54.51 2hey s HIS 132 Cb 0.00 -0.93 -0.05 0.00 1.11 0.00 0.00 32.58 32.71 2hey s HIS 132 CO 0.00 0.50 -0.07 -0.59 -0.85 0.00 0.00 174.74 173.73 2hey s PHE 133 N -2.44 1.30 -0.14 1.40 -0.71 -0.94 -4.40 117.98 112.06 2hey s PHE 133 Ca 0.24 -0.83 -0.07 0.00 -1.04 0.00 0.00 56.93 55.23 2hey s PHE 133 Cb -0.04 -0.69 0.05 0.00 -1.21 0.00 0.00 43.02 41.13 2hey s PHE 133 CO 0.10 0.02 0.32 0.45 -1.34 0.00 0.00 175.22 174.77 2hey s SER 134 N -3.19 -0.36 0.24 1.98 0.15 -0.21 -2.18 113.70 110.13 2hey s SER 134 Ca 0.19 0.70 0.23 0.00 0.70 0.00 0.00 55.95 57.77 2hey s SER 134 Cb 0.04 0.60 0.95 0.00 -1.71 0.00 0.00 66.02 65.90 2hey s SER 134 CO 0.02 -0.18 1.68 -2.65 1.20 0.00 0.00 173.24 173.31 2hey n PRO 135 N 4.30 0.18 0.00 5.44 -0.02 -1.25 -0.99 135.00 142.66 2hey n PRO 135 Ca -0.24 0.42 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 2hey n PRO 135 Cb 0.54 -1.84 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 2hey n PRO 135 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2hey n GLY 136 N -0.07 -1.90 3.69 -1.23 0.00 -1.26 -3.59 105.19 100.84 2hey n GLY 136 Ca 0.02 -2.01 -0.25 0.00 0.00 0.00 0.00 46.02 43.78 2hey n GLY 136 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2hey n ASP 137 N 0.00 -4.88 -0.04 1.61 2.03 0.46 -2.36 116.55 113.36 2hey n ASP 137 Ca 0.00 -0.66 -0.01 0.00 0.52 0.00 0.00 54.79 54.65 2hey n ASP 137 Cb 0.00 -4.57 -0.00 0.00 -0.72 0.00 0.00 41.12 35.82 2hey n ASP 137 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 2hey n ASN 138 N -2.97 -4.19 -4.74 1.67 3.02 -1.25 -4.92 115.26 101.87 2hey n ASN 138 Ca -0.04 0.01 -0.41 0.00 -0.03 0.00 0.00 54.58 54.11 2hey n ASN 138 Cb 0.57 -1.74 -0.04 0.00 -0.61 0.00 0.00 39.78 37.96 2hey n ASN 138 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 2hey s GLN 139 N -0.92 4.66 0.62 3.52 -0.21 -1.00 -4.78 119.66 121.56 2hey s GLN 139 Ca 0.00 1.68 -0.16 0.00 0.02 0.00 0.00 55.36 56.90 2hey s GLN 139 Cb 0.00 -3.26 -0.02 0.00 1.00 0.00 0.00 33.01 30.73 2hey s GLN 139 CO 0.00 0.20 1.09 0.00 -2.12 0.00 0.00 175.29 174.46 2hey s ALA 140 N -0.62 2.60 0.23 6.09 0.00 -1.26 -4.71 121.76 124.10 2hey s ALA 140 Ca 0.46 0.52 -0.30 0.00 0.00 0.00 0.00 51.96 52.64 2hey s ALA 140 Cb -0.29 -3.29 -0.09 0.00 0.00 0.00 0.00 23.12 19.46 2hey s ALA 140 CO 0.36 -1.04 1.10 0.00 0.00 0.00 0.00 175.76 176.17 2hey s LYS 142 N -0.94 1.12 0.37 0.00 1.02 -0.92 -4.93 119.74 115.46 2hey s LYS 142 Ca 0.47 -0.83 -0.26 0.00 0.02 0.00 0.00 55.97 55.37 2hey s LYS 142 Cb -0.31 -1.18 -0.12 0.00 -0.52 0.00 0.00 37.83 35.71 2hey s LYS 142 CO 0.38 0.30 1.10 -2.30 -0.92 0.00 0.00 175.35 173.91 2hey n PRO 143 N 1.90 1.59 -1.93 -1.68 -0.02 -1.26 -2.22 135.00 131.38 2hey n PRO 143 Ca -0.18 0.56 -0.41 0.00 -2.02 0.00 0.00 63.50 61.46 2hey n PRO 143 Cb 0.54 -2.10 -0.01 0.00 -0.02 0.00 0.00 33.50 31.91 2hey n PRO 143 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2hey s TRP 144 N -1.17 2.82 -0.07 6.00 0.51 -0.68 -4.85 118.94 121.49 2hey s TRP 144 Ca 0.60 1.17 -0.30 0.00 -2.12 0.00 0.00 56.10 55.45 2hey s TRP 144 Cb -0.59 -3.89 -0.05 0.00 -0.81 0.00 0.00 33.47 28.13 2hey s TRP 144 CO 0.59 -2.66 1.59 0.99 -0.51 0.00 0.00 176.95 176.95 2hey s THR 145 N -0.79 3.69 -0.56 2.01 2.01 -1.26 -4.96 115.64 115.77 2hey s THR 145 Ca 0.54 0.83 -0.25 0.00 0.31 0.00 0.00 61.69 63.12 2hey s THR 145 Cb -0.44 -3.54 0.04 0.00 0.01 0.00 0.00 72.50 68.57 2hey s THR 145 CO 0.55 -0.07 0.99 0.21 -0.69 0.00 0.00 174.62 175.61 2hey s ASN 146 N 3.12 6.36 0.34 3.53 3.84 -1.26 -4.74 114.94 126.14 2hey s ASN 146 Ca 0.70 -0.26 0.10 0.00 0.21 0.00 0.00 52.86 53.62 2hey s ASN 146 Cb -0.32 -2.46 0.63 0.00 -0.55 0.00 0.00 41.25 38.55 2hey s ASN 146 CO 0.27 -1.28 1.79 0.00 -2.79 0.00 0.00 177.10 175.09 2hey n THR 148 N -4.09 4.22 0.00 0.00 -2.24 -1.26 -3.64 114.28 107.28 2hey n THR 148 Ca -0.02 -4.20 0.00 0.00 -2.27 0.00 0.00 64.05 57.56 2hey n THR 148 Cb 0.42 -2.39 0.00 0.00 -2.10 0.00 0.00 70.33 66.26 2hey n THR 148 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2hey n LEU 149 N 4.19 0.00 0.28 3.22 7.94 -1.25 -5.25 117.00 126.12 2hey n LEU 149 Ca 0.41 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 55.20 2hey n LEU 149 Cb 0.37 0.36 -0.05 0.00 0.53 0.00 0.00 43.42 44.62 2hey n LEU 149 CO 0.83 -0.36 0.39 0.00 -1.11 0.00 0.00 177.39 177.14 2hey h ALA 150 N 0.00 -0.93 -1.80 1.96 0.00 -1.76 -3.54 119.26 113.19 2hey h ALA 150 Ca 0.00 -0.16 -0.21 0.00 0.00 0.00 0.00 54.91 54.54 2hey h ALA 150 Cb 0.00 0.28 -0.29 0.00 0.00 0.00 0.00 17.79 17.78 2hey h ALA 150 CO 0.00 -0.88 -0.55 0.99 0.00 0.00 0.00 179.25 178.81 2hey s THR 154 N -4.16 -0.59 0.07 0.00 2.01 -1.26 -5.08 115.64 106.62 2hey s THR 154 Ca -0.11 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.41 2hey s THR 154 Cb 0.01 -0.97 -0.11 0.00 0.01 0.00 0.00 72.50 71.44 2hey s THR 154 CO 0.32 -0.30 1.43 -0.07 -0.69 0.00 0.00 174.62 175.31 2hey h LEU 155 N 8.18 0.45 -8.01 4.42 3.38 -1.24 -3.43 115.31 119.07 2hey h LEU 155 Ca -0.11 -0.40 -0.50 0.00 0.09 0.00 0.00 57.88 56.96 2hey h LEU 155 Cb 1.12 -0.12 -0.33 0.00 0.09 0.00 0.00 40.66 41.42 2hey h LEU 155 CO 0.28 0.75 -0.81 -1.10 0.09 0.00 0.00 178.44 177.65 2hey s GLN 156 N -4.61 1.53 0.77 1.13 -0.21 -1.14 -4.99 119.66 112.14 2hey s GLN 156 Ca -0.14 -0.41 -0.11 0.00 0.02 0.00 0.00 55.36 54.73 2hey s GLN 156 Cb 0.07 -1.30 0.06 0.00 1.00 0.00 0.00 33.01 32.83 2hey s GLN 156 CO 0.76 0.07 1.08 -1.25 -2.12 0.00 0.00 175.29 173.83 2hey s PRO 157 N 0.49 2.28 0.56 2.91 0.04 -1.26 -1.62 135.00 138.40 2hey s PRO 157 Ca -0.11 0.93 -0.15 0.00 0.04 0.00 0.00 61.00 61.71 2hey s PRO 157 Cb -0.14 -1.92 -0.06 0.00 0.04 0.00 0.00 34.50 32.43 2hey s PRO 157 CO 0.03 -1.56 1.02 0.00 0.04 0.00 0.00 177.00 176.52 2hey s ALA 158 N -3.01 2.96 0.33 8.56 0.00 -1.26 -4.41 121.76 124.93 2hey s ALA 158 Ca 0.60 0.20 0.03 0.00 0.00 0.00 0.00 51.96 52.80 2hey s ALA 158 Cb -0.16 -3.15 -0.02 0.00 0.00 0.00 0.00 23.12 19.80 2hey s ALA 158 CO 0.55 -0.50 0.35 -1.54 0.00 0.00 0.00 175.76 174.62 2hey s SER 159 N -3.16 1.33 0.44 0.00 1.04 -0.55 -4.93 113.70 107.88 2hey s SER 159 Ca 0.60 -1.64 0.10 0.00 0.48 0.00 0.00 55.95 55.48 2hey s SER 159 Cb -0.12 0.59 0.98 0.00 0.10 0.00 0.00 66.02 67.58 2hey s SER 159 CO 0.37 -1.14 2.08 -0.55 0.98 0.00 0.00 173.24 174.98 2hey h ASN 160 N 2.15 0.31 0.22 7.02 7.08 -1.96 -3.15 115.58 127.25 2hey h ASN 160 Ca -0.27 -0.01 0.00 0.00 -3.08 0.00 0.00 56.30 52.94 2hey h ASN 160 Cb 1.24 -0.08 0.00 0.00 -2.08 0.00 0.00 38.32 37.40 2hey h ASN 160 CO 0.38 0.24 -0.87 -1.54 -2.08 0.00 0.00 177.43 173.55 2hey n SER 161 N -4.49 0.75 -3.54 6.14 3.41 -1.26 -1.05 113.62 113.59 2hey n SER 161 Ca 0.01 -0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 57.86 2hey n SER 161 Cb 0.08 0.76 -0.05 0.00 -0.26 0.00 0.00 64.21 64.74 2hey n SER 161 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2hey s SER 162 N -3.18 -0.50 0.49 4.04 1.04 -1.19 -3.86 113.70 110.54 2hey s SER 162 Ca 0.08 0.25 -0.12 0.00 0.48 0.00 0.00 55.95 56.64 2hey s SER 162 Cb 0.16 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.74 2hey s SER 162 CO 0.81 -0.74 0.89 -0.62 0.98 0.00 0.00 173.24 174.56 2hey s ASP 163 N -1.95 6.45 0.48 7.02 2.15 -1.26 -1.48 116.67 128.09 2hey s ASP 163 Ca -0.05 1.29 -0.22 0.00 0.43 0.00 0.00 52.55 54.00 2hey s ASP 163 Cb -0.01 -2.40 -0.07 0.00 -0.30 0.00 0.00 42.92 40.15 2hey s ASP 163 CO -0.01 -0.58 1.15 0.00 -0.17 0.00 0.00 175.17 175.55 2hey s ALA 164 N -2.67 2.90 0.02 3.66 0.00 -1.26 -4.69 121.76 119.72 2hey s ALA 164 Ca 0.54 0.89 0.04 0.00 0.00 0.00 0.00 51.96 53.42 2hey s ALA 164 Cb -0.10 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2hey s ALA 164 CO 0.38 -0.66 -0.06 0.42 0.00 0.00 0.00 175.76 175.84 2hey s ILE 165 N -1.62 3.70 -0.87 0.00 1.01 -0.64 -4.88 121.20 117.90 2hey s ILE 165 Ca 0.66 -0.83 0.07 0.00 0.00 0.00 0.00 60.65 60.55 2hey s ILE 165 Cb -0.27 -2.64 0.06 0.00 0.01 0.00 0.00 42.46 39.62 2hey s ILE 165 CO 0.32 0.34 0.72 0.00 0.00 0.00 0.00 174.94 176.32