#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pmy s GLU 2 N 0.00 2.71 -0.08 0.11 2.12 -1.26 -0.99 118.70 121.31 1pmy s GLU 2 Ca 0.00 -0.74 -0.01 0.00 0.36 0.00 0.00 54.97 54.58 1pmy s GLU 2 Cb 0.00 -2.19 -0.03 0.00 0.26 0.00 0.00 34.13 32.17 1pmy s GLU 2 CO 0.00 0.00 -0.02 0.08 -0.54 0.00 0.00 175.26 174.79 1pmy s VAL 3 N 0.79 4.16 -0.10 3.70 1.01 -0.38 -4.93 120.40 124.65 1pmy s VAL 3 Ca -0.09 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.54 1pmy s VAL 3 Cb -0.16 -2.74 -0.04 0.00 0.00 0.00 0.00 36.38 33.45 1pmy s VAL 3 CO 0.00 0.60 0.05 0.00 0.00 0.00 0.00 175.10 175.75 1pmy s ALA 4 N -0.87 3.48 -0.08 5.51 0.00 -1.26 0.41 121.76 128.95 1pmy s ALA 4 Ca 0.13 -0.75 0.01 0.00 0.00 0.00 0.00 51.96 51.35 1pmy s ALA 4 Cb -0.11 -1.66 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1pmy s ALA 4 CO 0.02 0.58 -0.09 0.08 0.00 0.00 0.00 175.76 176.35 1pmy s VAL 5 N -0.87 0.99 0.05 0.00 1.01 -0.41 -4.66 120.40 116.52 1pmy s VAL 5 Ca 0.13 -0.34 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 1pmy s VAL 5 Cb -0.12 -0.96 -0.06 0.00 0.00 0.00 0.00 36.38 35.24 1pmy s VAL 5 CO 0.03 0.34 0.54 -0.54 0.00 0.00 0.00 175.10 175.46 1pmy s LYS 6 N 1.09 4.15 -0.42 2.72 -0.14 -0.84 0.11 119.74 126.41 1pmy s LYS 6 Ca -0.07 0.67 -0.14 0.00 -1.36 0.00 0.00 55.97 55.07 1pmy s LYS 6 Cb -0.14 -3.24 0.03 0.00 -1.68 0.00 0.00 37.83 32.80 1pmy s LYS 6 CO -0.01 0.64 0.30 -1.64 -0.76 0.00 0.00 175.35 173.88 1pmy s MET 7 N -1.05 2.93 0.03 1.68 -1.94 -0.22 -1.36 119.30 119.37 1pmy s MET 7 Ca 0.28 -1.11 0.08 0.00 -1.71 0.00 0.00 55.69 53.23 1pmy s MET 7 Cb -0.19 -3.96 -0.03 0.00 2.01 0.00 0.00 34.83 32.67 1pmy s MET 7 CO 0.18 -0.81 -0.24 -0.51 -0.01 0.00 0.00 175.02 173.63 1pmy s LEU 8 N 1.64 2.14 0.13 -0.03 1.43 -0.11 -1.80 118.68 122.08 1pmy s LEU 8 Ca 0.04 -0.54 -0.12 0.00 -1.03 0.00 0.00 54.13 52.49 1pmy s LEU 8 Cb -0.20 -1.18 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 1pmy s LEU 8 CO 0.08 0.24 1.49 0.78 0.23 0.00 0.00 176.35 179.17 1pmy h ASN 9 N 4.98 0.93 -3.44 2.29 2.35 -1.92 -1.47 115.58 119.29 1pmy h ASN 9 Ca -0.44 -0.44 -0.34 0.00 -0.55 0.00 0.00 56.30 54.53 1pmy h ASN 9 Cb 1.14 -0.26 -0.36 0.00 0.05 0.00 0.00 38.32 38.90 1pmy h ASN 9 CO 0.44 1.17 -0.74 -0.55 -1.65 0.00 0.00 177.43 176.10 1pmy s SER 10 N -6.69 0.54 0.00 5.81 0.15 -1.26 0.24 113.70 112.49 1pmy s SER 10 Ca -0.12 0.03 0.00 0.00 0.70 0.00 0.00 55.95 56.56 1pmy s SER 10 Cb 0.11 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1pmy s SER 10 CO 0.86 -0.16 0.00 0.61 1.20 0.00 0.00 173.24 175.75 1pmy n GLY 11 N 4.56 1.91 3.67 9.45 0.00 -0.54 -4.98 105.19 119.25 1pmy n GLY 11 Ca -0.19 -0.79 -0.44 0.00 0.00 0.00 0.00 46.02 44.59 1pmy n GLY 11 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1pmy n PRO 12 N 0.00 2.68 0.00 1.61 -0.02 -1.26 -1.25 135.00 136.75 1pmy n PRO 12 Ca 0.00 0.98 0.00 0.00 -2.02 0.00 0.00 63.50 62.46 1pmy n PRO 12 Cb 0.00 -2.91 0.00 0.00 -0.02 0.00 0.00 33.50 30.57 1pmy n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pmy n GLY 13 N 4.51 0.26 0.00 -1.23 0.00 -1.26 -4.89 105.19 102.58 1pmy n GLY 13 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1pmy n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pmy n GLY 14 N -1.67 0.23 3.75 -0.02 0.00 -0.38 -5.04 105.19 102.05 1pmy n GLY 14 Ca 0.00 -1.93 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1pmy n GLY 14 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pmy s MET 15 N 0.00 4.76 -0.54 1.61 1.00 -1.26 -1.47 119.30 123.40 1pmy s MET 15 Ca 0.00 1.60 -0.10 0.00 0.00 0.00 0.00 55.69 57.19 1pmy s MET 15 Cb 0.00 -3.26 0.01 0.00 0.00 0.00 0.00 34.83 31.59 1pmy s MET 15 CO 0.00 0.38 0.64 -1.33 0.00 0.00 0.00 175.02 174.70 1pmy n MET 16 N 1.52 -2.00 -4.19 2.03 2.81 0.14 -4.85 117.12 112.57 1pmy n MET 16 Ca -0.01 1.90 -0.14 0.00 -1.81 0.00 0.00 57.70 57.63 1pmy n MET 16 Cb 0.46 -5.71 -0.11 0.00 -0.71 0.00 0.00 33.22 27.15 1pmy n MET 16 CO 0.00 0.00 0.00 0.14 1.51 0.00 0.00 175.97 177.62 1pmy s VAL 17 N -2.75 0.99 -0.05 2.03 -7.23 -0.56 -3.69 120.40 109.15 1pmy s VAL 17 Ca 0.16 -1.71 -0.06 0.00 -1.81 0.00 0.00 61.98 58.55 1pmy s VAL 17 Cb -0.04 -1.45 -0.04 0.00 0.56 0.00 0.00 36.38 35.40 1pmy s VAL 17 CO 0.76 -0.58 0.20 -0.36 -0.31 0.00 0.00 175.10 174.81 1pmy s PHE 18 N -2.58 3.59 -0.12 2.82 0.08 -1.26 -0.94 117.98 119.57 1pmy s PHE 18 Ca 0.07 0.52 -0.03 0.00 0.12 0.00 0.00 56.93 57.61 1pmy s PHE 18 Cb -0.02 -1.94 0.05 0.00 -0.57 0.00 0.00 43.02 40.53 1pmy s PHE 18 CO 0.00 0.68 0.06 0.34 -0.10 0.00 0.00 175.22 176.19 1pmy s ASP 19 N -1.46 2.00 0.60 1.36 2.15 -0.46 -3.11 116.67 117.75 1pmy s ASP 19 Ca 0.22 -0.37 -0.15 0.00 0.43 0.00 0.00 52.55 52.68 1pmy s ASP 19 Cb -0.13 -0.32 -0.03 0.00 -0.30 0.00 0.00 42.92 42.14 1pmy s ASP 19 CO 0.12 -0.29 1.05 -2.16 -0.17 0.00 0.00 175.17 173.72 1pmy s PRO 20 N 2.07 3.33 0.10 4.34 0.04 -1.26 -1.98 135.00 141.64 1pmy s PRO 20 Ca 0.03 1.10 0.24 0.00 0.04 0.00 0.00 61.00 62.41 1pmy s PRO 20 Cb -0.14 -2.04 0.21 0.00 0.04 0.00 0.00 34.50 32.57 1pmy s PRO 20 CO -0.07 -0.79 1.19 0.00 0.04 0.00 0.00 177.00 177.37 1pmy n ALA 21 N -2.22 3.05 -3.97 8.56 0.00 -1.18 -4.78 120.51 119.97 1pmy n ALA 21 Ca 0.08 -0.30 -0.29 0.00 0.00 0.00 0.00 53.44 52.93 1pmy n ALA 21 Cb 0.53 -1.09 -0.16 0.00 0.00 0.00 0.00 19.45 18.72 1pmy n ALA 21 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1pmy s LEU 22 N -4.21 1.68 -0.12 0.00 2.96 -1.26 -0.04 118.68 117.68 1pmy s LEU 22 Ca 0.05 -0.55 0.03 0.00 -0.22 0.00 0.00 54.13 53.44 1pmy s LEU 22 Cb 0.13 -1.08 0.01 0.00 0.50 0.00 0.00 46.19 45.75 1pmy s LEU 22 CO 0.76 -0.10 -0.23 -0.69 -1.32 0.00 0.00 176.35 174.76 1pmy s VAL 23 N 1.54 2.04 -0.25 1.68 1.01 -0.63 -5.01 120.40 120.77 1pmy s VAL 23 Ca 0.03 -0.99 -0.09 0.00 0.00 0.00 0.00 61.98 60.94 1pmy s VAL 23 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 1pmy s VAL 23 CO -0.09 0.55 0.11 -0.13 0.00 0.00 0.00 175.10 175.54 1pmy s ARG 24 N 0.60 3.80 0.25 2.72 0.52 -1.26 -0.86 118.95 124.72 1pmy s ARG 24 Ca -0.12 -0.41 0.04 0.00 -0.52 0.00 0.00 55.73 54.72 1pmy s ARG 24 Cb -0.17 -3.43 -0.05 0.00 0.52 0.00 0.00 34.95 31.82 1pmy s ARG 24 CO 0.03 -0.13 0.01 -0.51 0.02 0.00 0.00 175.30 174.72 1pmy s LEU 25 N 1.52 2.16 0.19 2.53 1.43 0.32 -4.97 118.68 121.86 1pmy s LEU 25 Ca 0.06 -1.26 0.07 0.00 -1.03 0.00 0.00 54.13 51.97 1pmy s LEU 25 Cb -0.15 -0.29 -0.04 0.00 0.03 0.00 0.00 46.19 45.74 1pmy s LEU 25 CO 0.06 -0.53 0.06 -0.54 0.23 0.00 0.00 176.35 175.62 1pmy s LYS 26 N -3.87 2.59 0.33 1.70 1.02 -1.26 -0.70 119.74 119.54 1pmy s LYS 26 Ca 0.31 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.94 1pmy s LYS 26 Cb 0.06 -2.44 -0.12 0.00 -0.52 0.00 0.00 37.83 34.81 1pmy s LYS 26 CO 0.10 0.45 1.49 -2.30 -0.92 0.00 0.00 175.35 174.17 1pmy n PRO 27 N -0.37 2.55 0.00 -1.68 -0.02 -1.26 -1.29 135.00 132.93 1pmy n PRO 27 Ca -0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1pmy n PRO 27 Cb 0.56 -2.62 0.00 0.00 -0.02 0.00 0.00 33.50 31.42 1pmy n PRO 27 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1pmy n GLY 28 N 1.28 3.40 3.73 -1.23 0.00 0.84 -4.99 105.19 108.22 1pmy n GLY 28 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 1pmy n GLY 28 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pmy s ASP 29 N -0.76 4.03 0.18 1.61 1.01 -0.41 -4.52 116.67 117.81 1pmy s ASP 29 Ca 0.00 2.06 0.07 0.00 0.71 0.00 0.00 52.55 55.39 1pmy s ASP 29 Cb 0.00 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.33 1pmy s ASP 29 CO 0.00 -2.36 -0.14 -0.94 0.21 0.00 0.00 175.17 171.94 1pmy s SER 30 N -2.81 2.36 -0.05 0.27 1.04 -0.16 -1.03 113.70 113.32 1pmy s SER 30 Ca 0.66 -0.98 0.05 0.00 0.48 0.00 0.00 55.95 56.16 1pmy s SER 30 Cb -0.22 -0.10 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 1pmy s SER 30 CO 0.53 -0.19 -0.18 -0.63 0.98 0.00 0.00 173.24 173.74 1pmy s ILE 31 N -2.88 2.69 -0.24 -1.02 1.01 -0.29 -1.25 121.20 119.23 1pmy s ILE 31 Ca 0.19 -0.86 -0.06 0.00 0.00 0.00 0.00 60.65 59.92 1pmy s ILE 31 Cb -0.01 -2.02 -0.02 0.00 0.01 0.00 0.00 42.46 40.42 1pmy s ILE 31 CO 0.05 0.58 0.04 -0.75 0.00 0.00 0.00 174.94 174.86 1pmy s LYS 32 N -0.60 3.56 -0.22 2.79 2.20 0.17 -1.50 119.74 126.14 1pmy s LYS 32 Ca 0.09 -0.53 -0.17 0.00 -0.36 0.00 0.00 55.97 55.00 1pmy s LYS 32 Cb -0.11 -3.24 -0.03 0.00 -1.51 0.00 0.00 37.83 32.93 1pmy s LYS 32 CO 0.01 -0.20 0.47 -0.06 -0.36 0.00 0.00 175.35 175.20 1pmy s PHE 33 N 1.58 3.34 -0.20 4.03 0.08 -0.01 -1.29 117.98 125.51 1pmy s PHE 33 Ca 0.06 0.66 -0.08 0.00 0.12 0.00 0.00 56.93 57.69 1pmy s PHE 33 Cb -0.15 -2.63 -0.04 0.00 -0.57 0.00 0.00 43.02 39.63 1pmy s PHE 33 CO 0.02 -0.12 0.08 -0.51 -0.10 0.00 0.00 175.22 174.59 1pmy s LEU 34 N 1.72 3.87 -1.32 -0.37 1.43 0.30 -2.21 118.68 122.10 1pmy s LEU 34 Ca 0.21 0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.29 1pmy s LEU 34 Cb -0.15 -1.99 -0.06 0.00 0.03 0.00 0.00 46.19 44.01 1pmy s LEU 34 CO 0.09 0.15 2.51 -0.81 0.23 0.00 0.00 176.35 178.51 1pmy n PRO 35 N 3.72 2.91 -0.12 1.29 -0.04 -1.26 -1.05 135.00 140.44 1pmy n PRO 35 Ca -0.16 -2.03 -0.06 0.00 -0.04 0.00 0.00 63.50 61.21 1pmy n PRO 35 Cb 0.52 -2.80 0.01 0.00 -0.04 0.00 0.00 33.50 31.19 1pmy n PRO 35 CO 0.00 0.00 0.00 1.15 -0.04 0.00 0.00 175.50 176.61 1pmy h THR 36 N 3.43 0.36 -3.66 0.52 2.02 -1.94 -3.37 112.91 110.26 1pmy h THR 36 Ca 0.68 0.00 -0.67 0.00 0.77 0.00 0.00 66.41 67.19 1pmy h THR 36 Cb 0.34 0.36 -0.17 0.00 -1.74 0.00 0.00 68.15 66.94 1pmy h THR 36 CO 1.73 0.00 -0.75 -1.81 0.37 0.00 0.00 175.52 175.06 1pmy s ASP 37 N -5.12 4.31 0.81 4.18 1.01 -0.75 -5.05 116.67 116.06 1pmy s ASP 37 Ca -0.14 -0.34 -0.12 0.00 0.71 0.00 0.00 52.55 52.65 1pmy s ASP 37 Cb 0.15 -0.84 0.08 0.00 1.01 0.00 0.00 42.92 43.31 1pmy s ASP 37 CO 0.70 0.22 1.12 -0.75 0.21 0.00 0.00 175.17 176.67 1pmy s LYS 38 N -1.87 2.01 0.00 8.23 2.20 -1.26 -4.42 119.74 124.63 1pmy s LYS 38 Ca 0.19 0.41 0.00 0.00 -0.36 0.00 0.00 55.97 56.21 1pmy s LYS 38 Cb -0.11 -1.93 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1pmy s LYS 38 CO 0.10 -1.62 0.00 0.41 -0.36 0.00 0.00 175.35 173.88 1pmy n GLY 39 N -2.58 0.56 3.55 5.54 0.00 -1.26 -4.96 105.19 106.04 1pmy n GLY 39 Ca 0.07 -0.41 -0.27 0.00 0.00 0.00 0.00 46.02 45.42 1pmy n GLY 39 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1pmy s HIS 40 N -2.00 2.58 0.05 1.61 3.76 -1.26 -4.82 115.29 115.21 1pmy s HIS 40 Ca 0.00 -0.24 0.01 0.00 -0.15 0.00 0.00 55.06 54.67 1pmy s HIS 40 Cb 0.00 -1.26 -0.00 0.00 1.11 0.00 0.00 32.58 32.43 1pmy s HIS 40 CO 0.00 0.51 0.05 0.27 -0.85 0.00 0.00 174.74 174.72 1pmy n ASN 41 N 0.07 -0.12 -3.87 1.40 6.94 -1.26 -1.05 115.26 117.38 1pmy n ASN 41 Ca -0.11 -1.30 -0.17 0.00 -0.02 0.00 0.00 54.58 52.97 1pmy n ASN 41 Cb 0.56 0.26 -0.16 0.00 -2.36 0.00 0.00 39.78 38.08 1pmy n ASN 41 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 1pmy s VAL 42 N -2.24 0.31 -0.08 3.53 1.01 -1.26 -3.99 120.40 117.68 1pmy s VAL 42 Ca 0.05 -0.03 -0.09 0.00 0.00 0.00 0.00 61.98 61.91 1pmy s VAL 42 Cb 0.00 -0.35 0.02 0.00 0.00 0.00 0.00 36.38 36.05 1pmy s VAL 42 CO 0.04 0.16 0.25 -0.70 0.00 0.00 0.00 175.10 174.84 1pmy s GLU 43 N 0.74 0.34 0.49 2.72 2.12 0.88 -1.39 118.70 124.60 1pmy s GLU 43 Ca -0.08 0.25 -0.23 0.00 0.36 0.00 0.00 54.97 55.26 1pmy s GLU 43 Cb -0.11 0.16 -0.07 0.00 0.26 0.00 0.00 34.13 34.37 1pmy s GLU 43 CO -0.01 -0.05 1.30 2.41 -0.54 0.00 0.00 175.26 178.37 1pmy n THR 44 N 2.69 3.18 -3.44 -1.70 -1.04 0.01 -0.53 114.28 113.44 1pmy n THR 44 Ca -0.14 -0.50 -0.42 0.00 -2.04 0.00 0.00 64.05 60.95 1pmy n THR 44 Cb 0.58 -1.61 -0.10 0.00 -1.82 0.00 0.00 70.33 67.39 1pmy n THR 44 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1pmy s ILE 45 N -1.26 5.21 0.26 12.58 1.01 -0.79 -4.74 121.20 133.47 1pmy s ILE 45 Ca 0.66 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.74 1pmy s ILE 45 Cb -0.46 -3.86 -0.14 0.00 0.01 0.00 0.00 42.46 38.02 1pmy s ILE 45 CO 0.54 -0.18 1.29 1.17 0.00 0.00 0.00 174.94 177.75 1pmy n LYS 46 N 5.29 1.84 -0.40 2.79 4.81 -1.26 -0.95 118.16 130.28 1pmy n LYS 46 Ca -0.10 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1pmy n LYS 46 Cb 0.49 -2.23 0.00 0.00 0.02 0.00 0.00 35.03 33.31 1pmy n LYS 46 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pmy n GLY 47 N 1.70 0.71 2.77 3.14 0.00 -1.26 -4.95 105.19 107.30 1pmy n GLY 47 Ca 0.10 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.87 1pmy n GLY 47 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1pmy n MET 48 N -2.00 2.78 -3.58 1.61 2.81 -0.12 -3.96 117.12 114.66 1pmy n MET 48 Ca 0.00 -4.57 -0.13 0.00 -1.81 0.00 0.00 57.70 51.19 1pmy n MET 48 Cb 0.00 -2.13 -0.06 0.00 -0.71 0.00 0.00 33.22 30.32 1pmy n MET 48 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pmy s ALA 49 N -3.22 -1.87 0.61 3.04 0.00 -1.24 -0.53 121.76 118.55 1pmy s ALA 49 Ca 0.47 1.61 -0.17 0.00 0.00 0.00 0.00 51.96 53.87 1pmy s ALA 49 Cb 0.29 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.69 1pmy s ALA 49 CO -0.12 -0.32 1.14 -1.25 0.00 0.00 0.00 175.76 175.21 1pmy s PRO 50 N -0.70 2.98 0.28 0.00 0.04 -1.25 -4.92 135.00 131.42 1pmy s PRO 50 Ca -0.03 1.57 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1pmy s PRO 50 Cb -0.02 -1.96 -0.10 0.00 0.04 0.00 0.00 34.50 32.47 1pmy s PRO 50 CO 0.03 -1.14 1.33 0.16 0.04 0.00 0.00 177.00 177.41 1pmy s ASP 51 N -2.08 6.80 0.00 6.66 1.47 -1.26 -2.26 116.67 126.00 1pmy s ASP 51 Ca 0.71 2.60 0.00 0.00 1.18 0.00 0.00 52.55 57.04 1pmy s ASP 51 Cb -0.24 -2.63 0.00 0.00 -0.34 0.00 0.00 42.92 39.71 1pmy s ASP 51 CO 0.35 -0.55 0.00 0.61 0.68 0.00 0.00 175.17 176.26 1pmy n GLY 52 N 1.51 3.40 3.77 2.12 0.00 -1.26 -5.06 105.19 109.68 1pmy n GLY 52 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1pmy n GLY 52 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pmy s ALA 53 N -2.98 3.31 0.47 4.61 0.00 -0.96 -5.01 121.76 121.20 1pmy s ALA 53 Ca 0.00 1.06 -0.21 0.00 0.00 0.00 0.00 51.96 52.81 1pmy s ALA 53 Cb 0.00 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.63 1pmy s ALA 53 CO 0.00 -0.52 1.05 -0.51 0.00 0.00 0.00 175.76 175.78 1pmy s ASP 54 N -0.87 6.41 0.15 0.00 1.01 -1.26 -5.00 116.67 117.10 1pmy s ASP 54 Ca 0.52 1.97 -0.30 0.00 0.71 0.00 0.00 52.55 55.46 1pmy s ASP 54 Cb -0.34 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 40.95 1pmy s ASP 54 CO 0.44 -0.74 0.96 -0.47 0.21 0.00 0.00 175.17 175.58 1pmy s TYR 55 N -1.88 3.85 -0.12 4.23 5.04 -1.26 -5.03 117.35 122.18 1pmy s TYR 55 Ca 0.65 1.82 -0.02 0.00 -2.44 0.00 0.00 57.07 57.09 1pmy s TYR 55 Cb -0.18 -3.05 -0.03 0.00 0.35 0.00 0.00 41.96 39.05 1pmy s TYR 55 CO 0.22 0.23 -0.05 0.08 -1.34 0.00 0.00 175.55 174.69 1pmy s VAL 56 N -0.31 3.84 -0.28 3.14 1.01 -1.26 -5.00 120.40 121.53 1pmy s VAL 56 Ca 0.46 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1pmy s VAL 56 Cb -0.24 -2.63 0.17 0.00 0.00 0.00 0.00 36.38 33.68 1pmy s VAL 56 CO 0.31 0.54 0.48 -0.75 0.00 0.00 0.00 175.10 175.68 1pmy s LYS 57 N -0.18 0.47 0.47 2.72 2.20 -1.25 -0.81 119.74 123.35 1pmy s LYS 57 Ca 0.03 0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 56.04 1pmy s LYS 57 Cb -0.13 -0.07 -0.00 0.00 -1.51 0.00 0.00 37.83 36.12 1pmy s LYS 57 CO 0.03 -0.94 0.71 0.95 -0.36 0.00 0.00 175.35 175.73 1pmy s THR 58 N 2.66 3.98 -0.05 3.43 -4.23 -0.49 -5.04 115.64 115.91 1pmy s THR 58 Ca 0.11 -0.40 -0.23 0.00 -1.18 0.00 0.00 61.69 59.99 1pmy s THR 58 Cb -0.12 -3.49 -0.04 0.00 1.34 0.00 0.00 72.50 70.19 1pmy s THR 58 CO -0.26 -0.37 0.69 -0.89 -0.54 0.00 0.00 174.62 173.24 1pmy s THR 59 N -2.62 5.02 0.21 3.99 2.01 -1.26 -4.60 115.64 118.38 1pmy s THR 59 Ca 0.49 1.42 -0.32 0.00 0.31 0.00 0.00 61.69 63.59 1pmy s THR 59 Cb -0.10 -4.03 -0.14 0.00 0.01 0.00 0.00 72.50 68.25 1pmy s THR 59 CO 0.39 0.28 1.43 0.52 -0.69 0.00 0.00 174.62 176.55 1pmy n VAL 60 N 3.60 0.66 -0.96 3.82 0.31 -1.26 -2.34 118.33 122.15 1pmy n VAL 60 Ca -0.02 -0.17 0.00 0.00 -0.01 0.00 0.00 64.34 64.14 1pmy n VAL 60 Cb 0.51 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1pmy n VAL 60 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1pmy n GLY 61 N 2.47 0.63 3.72 2.92 0.00 -0.21 -4.86 105.19 109.87 1pmy n GLY 61 Ca 0.13 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.88 1pmy n GLY 61 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1pmy s GLN 62 N -0.23 2.65 0.59 1.61 -0.21 -0.99 -4.84 119.66 118.24 1pmy s GLN 62 Ca 0.00 -0.93 -0.17 0.00 0.02 0.00 0.00 55.36 54.28 1pmy s GLN 62 Cb 0.00 -2.53 -0.04 0.00 1.00 0.00 0.00 33.01 31.45 1pmy s GLN 62 CO 0.00 0.49 1.09 -1.21 -2.12 0.00 0.00 175.29 173.54 1pmy s GLU 63 N -2.82 3.21 -0.05 2.91 2.02 -1.26 -4.60 118.70 118.11 1pmy s GLU 63 Ca 0.28 1.39 -0.15 0.00 0.02 0.00 0.00 54.97 56.52 1pmy s GLU 63 Cb -0.10 -2.00 0.03 0.00 0.10 0.00 0.00 34.13 32.15 1pmy s GLU 63 CO 0.20 -0.93 0.34 0.00 0.02 0.00 0.00 175.26 174.89 1pmy s ALA 64 N -2.18 -0.85 -0.05 5.21 0.00 -0.94 -5.00 121.76 117.96 1pmy s ALA 64 Ca 0.68 0.56 0.07 0.00 0.00 0.00 0.00 51.96 53.26 1pmy s ALA 64 Cb -0.20 -0.11 -0.01 0.00 0.00 0.00 0.00 23.12 22.80 1pmy s ALA 64 CO 0.34 -0.24 -0.25 0.08 0.00 0.00 0.00 175.76 175.69 1pmy s VAL 65 N -0.90 2.08 -0.13 0.00 1.01 -1.26 -0.83 120.40 120.37 1pmy s VAL 65 Ca -0.10 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.82 1pmy s VAL 65 Cb -0.04 -1.74 0.02 0.00 0.00 0.00 0.00 36.38 34.62 1pmy s VAL 65 CO 0.03 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 174.89 1pmy s VAL 66 N -0.29 1.39 0.07 2.92 1.01 -0.56 -4.99 120.40 119.95 1pmy s VAL 66 Ca 0.00 -0.53 -0.12 0.00 0.00 0.00 0.00 61.98 61.34 1pmy s VAL 66 Cb -0.13 -1.32 -0.06 0.00 0.00 0.00 0.00 36.38 34.87 1pmy s VAL 66 CO 0.02 0.43 0.42 -0.75 0.00 0.00 0.00 175.10 175.22 1pmy s LYS 67 N 1.47 3.83 -0.17 2.72 2.20 -1.26 -1.13 119.74 127.39 1pmy s LYS 67 Ca 0.03 0.28 0.01 0.00 -0.36 0.00 0.00 55.97 55.93 1pmy s LYS 67 Cb -0.13 -3.05 0.01 0.00 -1.51 0.00 0.00 37.83 33.15 1pmy s LYS 67 CO -0.08 0.58 -0.18 -0.06 -0.36 0.00 0.00 175.35 175.25 1pmy s PHE 68 N -1.32 2.78 -0.06 4.03 0.40 -0.20 -4.99 117.98 118.62 1pmy s PHE 68 Ca 0.31 -1.45 0.02 0.00 -0.60 0.00 0.00 56.93 55.21 1pmy s PHE 68 Cb -0.15 -1.92 -0.05 0.00 0.51 0.00 0.00 43.02 41.42 1pmy s PHE 68 CO 0.17 -0.71 -0.03 -0.40 0.70 0.00 0.00 175.22 174.95 1pmy n ASP 69 N 4.48 3.58 -4.73 1.36 5.75 -1.26 -0.11 116.55 125.62 1pmy n ASP 69 Ca -0.20 -0.02 -0.41 0.00 -0.01 0.00 0.00 54.79 54.14 1pmy n ASP 69 Cb 0.51 0.12 -0.04 0.00 -1.03 0.00 0.00 41.12 40.67 1pmy n ASP 69 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 1pmy s LYS 70 N -2.13 4.65 0.59 0.11 -0.14 -1.26 -4.64 119.74 116.92 1pmy s LYS 70 Ca -0.07 1.49 -0.15 0.00 -1.36 0.00 0.00 55.97 55.88 1pmy s LYS 70 Cb 0.02 -3.38 -0.04 0.00 -1.68 0.00 0.00 37.83 32.75 1pmy s LYS 70 CO 0.16 0.13 1.04 -1.21 -0.76 0.00 0.00 175.35 174.71 1pmy s GLU 71 N 0.20 3.46 0.00 1.68 2.02 -1.26 -4.86 118.70 119.94 1pmy s GLU 71 Ca 0.49 1.06 0.00 0.00 0.02 0.00 0.00 54.97 56.54 1pmy s GLU 71 Cb -0.24 -2.06 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1pmy s GLU 71 CO 0.30 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.31 1pmy n GLY 72 N -1.45 0.81 3.57 -1.39 0.00 -0.05 -4.79 105.19 101.89 1pmy n GLY 72 Ca 0.08 -2.01 -0.35 0.00 0.00 0.00 0.00 46.02 43.74 1pmy n GLY 72 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pmy s VAL 73 N -1.50 4.63 -0.03 1.61 1.01 -1.26 -0.87 120.40 124.00 1pmy s VAL 73 Ca 0.00 -0.08 0.07 0.00 0.00 0.00 0.00 61.98 61.96 1pmy s VAL 73 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 1pmy s VAL 73 CO 0.00 0.42 -0.23 -0.31 0.00 0.00 0.00 175.10 174.97 1pmy s TYR 74 N 0.79 2.14 -0.05 5.22 1.51 0.41 -3.59 117.35 123.79 1pmy s TYR 74 Ca 0.03 -0.50 0.06 0.00 -1.01 0.00 0.00 57.07 55.65 1pmy s TYR 74 Cb -0.14 -1.39 -0.02 0.00 -0.11 0.00 0.00 41.96 40.30 1pmy s TYR 74 CO 0.02 -0.10 -0.21 0.20 -1.11 0.00 0.00 175.55 174.35 1pmy s GLY 75 N -0.37 1.37 0.07 0.71 0.00 0.31 -1.11 107.32 108.31 1pmy s GLY 75 Ca 0.04 -1.04 0.06 0.00 0.00 0.00 0.00 44.72 43.78 1pmy s GLY 75 CO 0.01 -0.74 -0.17 -1.36 0.00 0.00 0.00 173.10 170.84 1pmy s PHE 76 N -0.42 1.44 0.31 1.90 0.08 0.21 -1.88 117.98 119.61 1pmy s PHE 76 Ca 0.04 -0.43 0.09 0.00 0.12 0.00 0.00 56.93 56.76 1pmy s PHE 76 Cb -0.12 -0.81 -0.06 0.00 -0.57 0.00 0.00 43.02 41.46 1pmy s PHE 76 CO 0.01 0.10 -0.11 -1.59 -0.10 0.00 0.00 175.22 173.54 1pmy s LYS 77 N -1.68 1.72 -0.39 0.44 -2.85 0.31 -1.00 119.74 116.29 1pmy s LYS 77 Ca 0.02 -1.86 -0.17 0.00 -1.00 0.00 0.00 55.97 52.95 1pmy s LYS 77 Cb -0.10 -1.59 0.01 0.00 -2.06 0.00 0.00 37.83 34.09 1pmy s LYS 77 CO 0.03 0.16 0.44 0.00 0.10 0.00 0.00 175.35 176.08 1pmy h ALA 79 N 8.64 -0.47 0.00 0.00 0.00 -1.89 -0.21 119.26 125.33 1pmy h ALA 79 Ca -0.27 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 54.65 1pmy h ALA 79 Cb 1.12 0.86 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1pmy h ALA 79 CO 0.78 -0.88 -0.13 -1.00 0.00 0.00 0.00 179.25 178.02 1pmy h PRO 80 N -0.37 0.00 -0.26 0.00 0.13 -1.94 -3.05 132.00 126.51 1pmy h PRO 80 Ca 0.12 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 65.17 1pmy h PRO 80 Cb 0.59 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.67 1pmy h PRO 80 CO -0.52 0.13 -0.06 0.72 -0.23 0.00 0.00 178.00 178.04 1pmy n HIS 81 N -3.68 0.84 -0.26 1.56 8.25 -0.85 -4.73 115.22 116.35 1pmy n HIS 81 Ca -0.02 -1.26 -0.06 0.00 -0.26 0.00 0.00 57.72 56.13 1pmy n HIS 81 Cb 0.25 -0.37 0.05 0.00 1.12 0.00 0.00 29.99 31.04 1pmy n HIS 81 CO 0.00 0.00 0.00 -0.92 0.64 0.00 0.00 176.34 176.06 1pmy h TYR 82 N 1.16 1.00 0.00 4.41 3.20 -0.94 -1.59 116.97 124.21 1pmy h TYR 82 Ca 0.10 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 1pmy h TYR 82 Cb 1.47 -0.32 -0.00 0.00 1.54 0.00 0.00 36.73 39.42 1pmy h TYR 82 CO 0.69 0.72 -0.11 0.52 -1.64 0.00 0.00 178.16 178.34 1pmy h MET 83 N 0.99 0.00 -0.25 1.82 2.86 -1.85 0.11 114.93 118.61 1pmy h MET 83 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 1pmy h MET 83 Cb 0.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.72 1pmy h MET 83 CO -0.04 0.11 0.00 -1.33 1.06 0.00 0.00 176.91 176.71 1pmy n MET 84 N -3.72 1.68 -1.18 1.72 2.81 -0.99 -4.79 117.12 112.65 1pmy n MET 84 Ca -0.02 -1.05 -0.02 0.00 -1.81 0.00 0.00 57.70 54.80 1pmy n MET 84 Cb 0.21 -1.29 -0.01 0.00 -0.71 0.00 0.00 33.22 31.43 1pmy n MET 84 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1pmy n GLY 85 N 1.03 0.49 3.48 3.03 0.00 0.37 -4.86 105.19 108.73 1pmy n GLY 85 Ca 0.12 -0.98 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 1pmy n GLY 85 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pmy s MET 86 N -2.40 3.29 0.07 1.61 -2.45 -0.63 -4.86 119.30 113.92 1pmy s MET 86 Ca 0.00 -0.98 0.01 0.00 -1.25 0.00 0.00 55.69 53.47 1pmy s MET 86 Cb 0.00 -4.51 -0.04 0.00 1.25 0.00 0.00 34.83 31.53 1pmy s MET 86 CO 0.00 -1.91 -0.05 0.14 1.05 0.00 0.00 175.02 174.25 1pmy s VAL 87 N 4.14 0.46 0.06 10.11 -7.23 -1.26 -1.19 120.40 125.49 1pmy s VAL 87 Ca 0.29 -1.68 -0.05 0.00 -1.81 0.00 0.00 61.98 58.73 1pmy s VAL 87 Cb -0.11 -1.35 -0.02 0.00 0.56 0.00 0.00 36.38 35.46 1pmy s VAL 87 CO 0.04 -0.81 0.09 0.00 -0.31 0.00 0.00 175.10 174.10 1pmy s ALA 88 N -3.22 0.05 -0.07 1.32 0.00 -0.17 -4.59 121.76 115.08 1pmy s ALA 88 Ca 0.05 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.27 1pmy s ALA 88 Cb 0.03 0.33 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1pmy s ALA 88 CO -0.05 -0.39 -0.16 -1.17 0.00 0.00 0.00 175.76 173.98 1pmy s LEU 89 N -2.59 1.79 -0.16 0.00 2.96 0.94 -0.62 118.68 121.00 1pmy s LEU 89 Ca 0.02 -0.38 -0.00 0.00 -0.22 0.00 0.00 54.13 53.54 1pmy s LEU 89 Cb 0.03 -1.01 -0.00 0.00 0.50 0.00 0.00 46.19 45.71 1pmy s LEU 89 CO -0.08 0.08 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.19 1pmy s VAL 90 N 0.54 2.74 -0.16 1.68 1.01 -0.26 -1.60 120.40 124.35 1pmy s VAL 90 Ca -0.16 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1pmy s VAL 90 Cb -0.16 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1pmy s VAL 90 CO 0.05 0.51 -0.16 0.68 0.00 0.00 0.00 175.10 176.18 1pmy s VAL 91 N 0.88 2.53 -0.16 2.92 -7.23 -0.04 -0.44 120.40 118.86 1pmy s VAL 91 Ca -0.04 -0.81 -0.01 0.00 -1.81 0.00 0.00 61.98 59.31 1pmy s VAL 91 Cb -0.15 -2.06 -0.01 0.00 0.56 0.00 0.00 36.38 34.72 1pmy s VAL 91 CO -0.01 0.52 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.50 1pmy s VAL 92 N 0.88 3.06 0.00 1.32 1.01 -0.05 -0.52 120.40 126.10 1pmy s VAL 92 Ca -0.04 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1pmy s VAL 92 Cb -0.15 -2.32 0.00 0.00 0.00 0.00 0.00 36.38 33.91 1pmy s VAL 92 CO -0.02 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1pmy n GLY 93 N 4.05 0.81 0.00 4.51 0.00 0.12 -0.87 105.19 113.81 1pmy n GLY 93 Ca -0.18 -0.80 0.06 0.00 0.00 0.00 0.00 46.02 45.09 1pmy n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pmy n ASP 94 N -2.74 1.02 -4.75 1.61 8.00 -1.26 -4.81 116.55 113.62 1pmy n ASP 94 Ca 0.00 -0.56 -0.41 0.00 0.71 0.00 0.00 54.79 54.53 1pmy n ASP 94 Cb 0.00 1.17 -0.03 0.00 -0.02 0.00 0.00 41.12 42.24 1pmy n ASP 94 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1pmy s LYS 95 N -2.37 4.36 -0.09 -1.24 1.02 -1.26 -4.93 119.74 115.23 1pmy s LYS 95 Ca 0.02 2.14 0.16 0.00 0.02 0.00 0.00 55.97 58.31 1pmy s LYS 95 Cb 0.09 -3.15 0.34 0.00 -0.52 0.00 0.00 37.83 34.59 1pmy s LYS 95 CO 0.51 -0.27 1.16 0.54 -0.92 0.00 0.00 175.35 176.37 1pmy n ARG 96 N 2.16 0.73 -0.27 1.68 5.12 -1.26 -3.55 116.66 121.27 1pmy n ARG 96 Ca 0.05 -2.37 0.06 0.00 -1.93 0.00 0.00 57.85 53.66 1pmy n ARG 96 Cb 0.42 -0.85 0.20 0.00 -1.16 0.00 0.00 32.46 31.07 1pmy n ARG 96 CO 0.00 0.00 0.00 -0.44 -1.93 0.00 0.00 177.63 175.26 1pmy h ASP 97 N 0.69 0.36 -0.19 0.55 3.32 -1.93 -2.08 116.42 117.14 1pmy h ASP 97 Ca -0.08 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.07 1pmy h ASP 97 Cb 1.38 0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.99 1pmy h ASP 97 CO 0.04 0.14 0.00 -0.46 -1.72 0.00 0.00 179.24 177.24 1pmy n ASN 98 N -4.96 2.14 0.00 6.45 6.94 -1.26 -4.56 115.26 120.01 1pmy n ASN 98 Ca 0.15 -1.77 -0.10 0.00 -0.02 0.00 0.00 54.58 52.84 1pmy n ASN 98 Cb 0.42 -0.12 -0.04 0.00 -2.36 0.00 0.00 39.78 37.68 1pmy n ASN 98 CO 0.00 0.00 0.00 0.25 -1.03 0.00 0.00 177.26 176.48 1pmy h LEU 99 N 2.92 -0.34 -0.69 -4.53 5.85 -1.74 0.15 115.31 116.93 1pmy h LEU 99 Ca 0.00 0.07 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 1pmy h LEU 99 Cb 0.64 0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 1pmy h LEU 99 CO 0.00 -0.15 0.25 -0.08 -0.34 0.00 0.00 178.44 178.12 1pmy h GLU 100 N -0.14 1.05 -0.25 1.25 4.57 -1.80 -0.90 114.58 118.36 1pmy h GLU 100 Ca 0.08 -0.21 0.02 0.00 -1.18 0.00 0.00 59.36 58.07 1pmy h GLU 100 Cb 0.25 -0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 28.65 1pmy h GLU 100 CO -0.19 0.88 0.11 0.00 -1.18 0.00 0.00 179.01 178.63 1pmy h ALA 101 N 1.11 0.29 -0.44 2.92 0.00 -1.81 -2.17 119.26 119.16 1pmy h ALA 101 Ca 0.23 0.02 -0.15 0.00 0.00 0.00 0.00 54.91 55.01 1pmy h ALA 101 Cb 0.25 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1pmy h ALA 101 CO -0.01 -0.30 -0.30 0.00 0.00 0.00 0.00 179.25 178.64 1pmy h ALA 102 N 1.14 0.64 0.00 0.00 0.00 -0.32 -2.87 119.26 117.85 1pmy h ALA 102 Ca 0.11 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.52 1pmy h ALA 102 Cb 0.05 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1pmy h ALA 102 CO -0.09 0.68 -0.34 -0.22 0.00 0.00 0.00 179.25 179.28 1pmy h LYS 103 N 0.82 0.00 0.00 0.00 3.64 -1.16 -2.94 116.57 116.93 1pmy h LYS 103 Ca 0.09 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 1pmy h LYS 103 Cb 0.88 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.70 1pmy h LYS 103 CO 0.08 0.34 0.00 0.43 -2.27 0.00 0.00 179.45 178.03 1pmy n SER 104 N -3.83 0.59 -4.76 4.20 7.64 -0.82 -4.79 113.62 111.85 1pmy n SER 104 Ca -0.01 0.60 -0.41 0.00 1.01 0.00 0.00 58.87 60.06 1pmy n SER 104 Cb 0.42 -0.74 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 1pmy n SER 104 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1pmy s VAL 105 N -3.17 2.90 0.21 0.44 1.01 -1.11 -5.00 120.40 115.68 1pmy s VAL 105 Ca 0.08 0.84 0.04 0.00 0.00 0.00 0.00 61.98 62.94 1pmy s VAL 105 Cb 0.11 -3.54 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 1pmy s VAL 105 CO 0.47 0.18 0.34 -1.10 0.00 0.00 0.00 175.10 174.99 1pmy s GLN 106 N -1.23 3.44 0.27 2.72 -0.21 -1.26 -5.09 119.66 118.30 1pmy s GLN 106 Ca 0.51 -0.68 -0.07 0.00 0.02 0.00 0.00 55.36 55.15 1pmy s GLN 106 Cb -0.38 -2.91 -0.01 0.00 1.00 0.00 0.00 33.01 30.71 1pmy s GLN 106 CO 0.47 0.45 0.40 -1.01 -2.12 0.00 0.00 175.29 173.49 1pmy s HIS 107 N -1.91 0.79 0.87 0.91 3.76 -1.26 -5.10 115.29 113.35 1pmy s HIS 107 Ca 0.34 -1.07 -0.11 0.00 -0.15 0.00 0.00 55.06 54.08 1pmy s HIS 107 Cb -0.10 -0.07 0.12 0.00 1.11 0.00 0.00 32.58 33.64 1pmy s HIS 107 CO 0.29 -0.97 1.11 0.54 -0.85 0.00 0.00 174.74 174.86 1pmy s ASN 108 N -3.13 3.51 0.20 1.40 2.20 -1.26 -4.68 114.94 113.18 1pmy s ASN 108 Ca 0.29 1.92 -0.17 0.00 -0.94 0.00 0.00 52.86 53.96 1pmy s ASN 108 Cb 0.01 -2.49 0.18 0.00 -2.00 0.00 0.00 41.25 36.95 1pmy s ASN 108 CO 0.14 -2.68 1.60 0.50 -2.94 0.00 0.00 177.10 173.71 1pmy h LYS 109 N -1.58 -0.09 -0.50 3.55 3.64 -1.99 -0.21 116.57 119.39 1pmy h LYS 109 Ca -0.45 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 58.93 1pmy h LYS 109 Cb 1.26 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 33.08 1pmy h LYS 109 CO 0.48 -0.06 0.31 1.25 -2.27 0.00 0.00 179.45 179.15 1pmy h LEU 110 N -0.10 0.60 -0.30 5.20 5.85 -1.91 -0.84 115.31 123.82 1pmy h LEU 110 Ca 0.27 -0.05 -0.15 0.00 0.84 0.00 0.00 57.88 58.79 1pmy h LEU 110 Cb 0.52 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.40 1pmy h LEU 110 CO -0.67 0.48 -0.39 0.74 -0.34 0.00 0.00 178.44 178.26 1pmy h THR 111 N 0.68 1.29 -0.79 1.05 2.02 -1.74 -2.86 112.91 112.55 1pmy h THR 111 Ca 0.18 -1.57 0.04 0.00 0.77 0.00 0.00 66.41 65.83 1pmy h THR 111 Cb -0.01 1.58 -0.05 0.00 -1.74 0.00 0.00 68.15 67.93 1pmy h THR 111 CO -0.03 0.51 0.50 -0.61 0.37 0.00 0.00 175.52 176.25 1pmy h GLN 112 N 0.56 0.93 0.00 6.66 5.75 -0.79 -1.53 115.11 126.69 1pmy h GLN 112 Ca 0.04 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 1pmy h GLN 112 Cb 0.98 -0.21 -0.01 0.00 1.07 0.00 0.00 27.48 29.31 1pmy h GLN 112 CO 0.09 0.61 -0.29 0.87 -2.65 0.00 0.00 178.83 177.46 1pmy h LYS 113 N 0.96 0.00 0.02 1.69 1.79 -1.01 -0.40 116.57 119.62 1pmy h LYS 113 Ca 0.33 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 58.53 1pmy h LYS 113 Cb 0.06 0.00 0.02 0.00 -1.58 0.00 0.00 32.23 30.72 1pmy h LYS 113 CO -0.13 0.29 -1.06 0.00 -1.08 0.00 0.00 179.45 177.47 1pmy h ARG 114 N 0.00 0.61 -0.08 3.15 3.08 -1.13 -3.34 114.38 116.67 1pmy h ARG 114 Ca -0.00 -0.69 -0.15 0.00 0.07 0.00 0.00 59.98 59.21 1pmy h ARG 114 Cb 0.60 0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.84 1pmy h ARG 114 CO 0.04 1.28 -0.61 -0.07 -1.07 0.00 0.00 179.97 179.54 1pmy h LEU 115 N 0.33 0.32 -0.69 3.04 3.38 -0.67 -3.36 115.31 117.66 1pmy h LEU 115 Ca -0.13 -0.18 0.13 0.00 0.09 0.00 0.00 57.88 57.79 1pmy h LEU 115 Cb 1.71 -0.09 -0.13 0.00 0.09 0.00 0.00 40.66 42.24 1pmy h LEU 115 CO 0.20 0.85 -0.27 0.44 0.09 0.00 0.00 178.44 179.75 1pmy h ASP 116 N 0.21 -0.96 0.91 -0.43 3.32 -1.21 0.13 116.42 118.38 1pmy h ASP 116 Ca -0.01 0.23 -0.05 0.00 0.02 0.00 0.00 57.03 57.22 1pmy h ASP 116 Cb 1.12 0.53 -0.01 0.00 0.22 0.00 0.00 39.33 41.20 1pmy h ASP 116 CO 0.10 -0.28 -0.24 1.55 -1.72 0.00 0.00 179.24 178.66 1pmy h PRO 117 N -0.08 0.00 -0.07 3.56 0.14 -1.77 -1.12 132.00 132.67 1pmy h PRO 117 Ca 0.30 0.00 -0.12 0.00 0.14 0.00 0.00 66.00 66.32 1pmy h PRO 117 Cb 0.55 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.70 1pmy h PRO 117 CO -0.74 0.24 -0.42 -0.07 0.14 0.00 0.00 178.00 177.14 1pmy h LEU 118 N 0.00 0.48 -0.74 1.56 3.38 -1.32 -2.31 115.31 116.37 1pmy h LEU 118 Ca -0.00 -0.67 0.00 0.00 0.09 0.00 0.00 57.88 57.30 1pmy h LEU 118 Cb 0.75 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.32 1pmy h LEU 118 CO 0.03 1.08 0.47 -0.26 0.09 0.00 0.00 178.44 179.85 1pmy h PHE 119 N -0.07 0.96 -0.86 1.13 0.04 -0.66 -2.11 116.94 115.36 1pmy h PHE 119 Ca -0.03 0.01 0.12 0.00 2.80 0.00 0.00 57.97 60.86 1pmy h PHE 119 Cb 1.09 -0.32 -0.06 0.00 2.20 0.00 0.00 35.95 38.86 1pmy h PHE 119 CO 0.13 0.63 0.56 0.00 -0.60 0.00 0.00 178.31 179.02 1pmy h ALA 120 N 1.25 1.76 0.00 2.45 0.00 -1.01 -1.95 119.26 121.77 1pmy h ALA 120 Ca 0.27 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1pmy h ALA 120 Cb -0.07 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1pmy h ALA 120 CO -0.05 0.03 0.00 1.04 0.00 0.00 0.00 179.25 180.27 1pmy n GLN 121 N -4.53 0.89 -0.00 0.00 6.02 -0.80 -3.09 117.38 115.87 1pmy n GLN 121 Ca 0.15 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.19 1pmy n GLN 121 Cb 0.38 -1.50 -0.07 0.00 1.02 0.00 0.00 30.24 30.07 1pmy n GLN 121 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 1pmy n ILE 122 N -1.01 0.00 1.17 5.09 -0.00 -0.76 -5.08 119.36 118.77 1pmy n ILE 122 Ca 0.22 -0.23 0.13 0.00 -0.00 0.00 0.00 62.75 62.86 1pmy n ILE 122 Cb 0.10 0.36 0.24 0.00 -0.00 0.00 0.00 39.64 40.34 1pmy n ILE 122 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55