#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro s SER 2 N 0.00 -1.13 0.47 1.61 0.01 -1.26 -5.17 113.70 108.23 2yro s SER 2 Ca 0.00 1.55 0.07 0.00 1.31 0.00 0.00 55.95 58.88 2yro s SER 2 Cb 0.00 2.28 0.01 0.00 0.21 0.00 0.00 66.02 68.51 2yro s SER 2 CO 0.00 -0.22 0.41 -0.44 0.41 0.00 0.00 173.24 173.41 2yro s SER 3 N 2.87 4.89 0.43 2.44 0.01 -1.26 -5.15 113.70 117.93 2yro s SER 3 Ca -0.06 -0.92 0.06 0.00 1.31 0.00 0.00 55.95 56.34 2yro s SER 3 Cb -0.12 -0.19 -0.06 0.00 0.21 0.00 0.00 66.02 65.86 2yro s SER 3 CO -0.19 -0.85 0.05 -0.83 0.41 0.00 0.00 173.24 171.83 2yro s GLY 4 N -4.21 2.54 -0.06 3.44 0.00 -1.26 -5.15 107.32 102.61 2yro s GLY 4 Ca 0.45 -2.02 -0.31 0.00 0.00 0.00 0.00 44.72 42.84 2yro s GLY 4 CO 0.27 -2.07 1.09 -0.45 0.00 0.00 0.00 173.10 171.93 2yro s SER 5 N -3.78 -0.20 0.51 1.64 0.15 -1.26 -5.19 113.70 105.58 2yro s SER 5 Ca 0.33 -0.07 0.06 0.00 0.70 0.00 0.00 55.95 56.96 2yro s SER 5 Cb 0.08 0.27 0.02 0.00 -1.71 0.00 0.00 66.02 64.67 2yro s SER 5 CO 0.17 -0.45 0.37 -0.94 1.20 0.00 0.00 173.24 173.59 2yro s SER 6 N -2.50 4.65 -0.41 5.45 1.04 -1.26 -5.11 113.70 115.56 2yro s SER 6 Ca 0.09 -1.18 0.02 0.00 0.48 0.00 0.00 55.95 55.36 2yro s SER 6 Cb -0.00 0.20 0.14 0.00 0.10 0.00 0.00 66.02 66.46 2yro s SER 6 CO -0.05 -0.98 0.26 -0.83 0.98 0.00 0.00 173.24 172.61 2yro s GLY 7 N -4.21 1.31 0.83 7.32 0.00 -1.26 -5.13 107.32 106.18 2yro s GLY 7 Ca 0.36 -2.32 -0.11 0.00 0.00 0.00 0.00 44.72 42.65 2yro s GLY 7 CO 0.22 1.85 1.09 2.56 0.00 0.00 0.00 173.10 178.81 2yro s PRO 8 N 0.52 1.79 -0.40 2.90 0.04 -1.26 -5.04 135.00 133.55 2yro s PRO 8 Ca 0.21 1.01 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2yro s PRO 8 Cb -0.18 -1.86 0.12 0.00 0.04 0.00 0.00 34.50 32.62 2yro s PRO 8 CO -0.04 -1.92 0.15 0.15 0.04 0.00 0.00 177.00 175.38 2yro s LYS 9 N -4.92 1.44 0.10 4.56 1.02 -1.26 -5.00 119.74 115.68 2yro s LYS 9 Ca 0.62 -1.96 -0.35 0.00 0.02 0.00 0.00 55.97 54.30 2yro s LYS 9 Cb -0.18 -2.84 -0.15 0.00 -0.52 0.00 0.00 37.83 34.14 2yro s LYS 9 CO 0.56 -1.04 1.55 1.03 -0.92 0.00 0.00 175.35 176.54 2yro h SER 10 N 7.22 -1.54 0.00 2.83 0.87 -2.07 -3.47 113.55 117.38 2yro h SER 10 Ca -0.06 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2yro h SER 10 Cb 0.96 0.55 0.00 0.00 -0.44 0.00 0.00 62.40 63.48 2yro h SER 10 CO 0.55 -0.59 0.00 0.61 -0.53 0.00 0.00 176.83 176.87 2yro n GLY 11 N -1.51 0.44 3.25 5.77 0.00 -1.26 -5.17 105.19 106.70 2yro n GLY 11 Ca -0.10 -0.55 -0.20 0.00 0.00 0.00 0.00 46.02 45.17 2yro n GLY 11 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2yro s THR 12 N 0.00 1.44 -0.46 2.61 -4.23 -1.26 -5.09 115.64 108.65 2yro s THR 12 Ca 0.00 -1.57 -0.28 0.00 -1.18 0.00 0.00 61.69 58.66 2yro s THR 12 Cb 0.00 -1.44 -0.02 0.00 1.34 0.00 0.00 72.50 72.38 2yro s THR 12 CO 0.00 -0.24 1.77 -2.16 -0.54 0.00 0.00 174.62 173.44 2yro s PRO 13 N -2.19 3.08 0.96 3.99 0.04 -1.26 -4.97 135.00 134.65 2yro s PRO 13 Ca 0.06 1.02 -0.13 0.00 0.04 0.00 0.00 61.00 61.99 2yro s PRO 13 Cb -0.08 -4.25 0.05 0.00 0.04 0.00 0.00 34.50 30.26 2yro s PRO 13 CO 0.04 -2.17 0.43 0.00 0.04 0.00 0.00 177.00 175.34 2yro n GLN 14 N 8.69 -0.40 -3.36 4.56 0.00 -1.25 -4.81 117.38 120.82 2yro n GLN 14 Ca 0.21 -0.07 -0.21 0.00 0.00 0.00 0.00 57.00 56.92 2yro n GLN 14 Cb 0.49 -1.88 0.02 0.00 0.00 0.00 0.00 30.24 28.87 2yro n GLN 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yro s LEU 15 N -1.49 3.13 0.05 2.61 1.43 -1.17 -4.95 118.68 118.29 2yro s LEU 15 Ca 0.57 -0.88 0.08 0.00 -1.03 0.00 0.00 54.13 52.88 2yro s LEU 15 Cb -0.21 -1.74 -0.03 0.00 0.03 0.00 0.00 46.19 44.25 2yro s LEU 15 CO 0.67 -1.07 -0.23 -0.44 0.23 0.00 0.00 176.35 175.51 2yro s SER 16 N -4.42 2.72 0.13 2.29 0.01 -1.26 -4.45 113.70 108.71 2yro s SER 16 Ca 0.51 -0.56 0.03 0.00 1.31 0.00 0.00 55.95 57.24 2yro s SER 16 Cb -0.05 -0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.92 2yro s SER 16 CO 0.31 0.18 0.18 -0.76 0.41 0.00 0.00 173.24 173.57 2yro s LEU 17 N -1.28 4.04 0.28 2.44 1.43 -1.26 -3.45 118.68 120.87 2yro s LEU 17 Ca 0.09 0.03 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 2yro s LEU 17 Cb -0.09 -2.65 -0.10 0.00 0.03 0.00 0.00 46.19 43.38 2yro s LEU 17 CO 0.02 0.09 1.25 -2.16 0.23 0.00 0.00 176.35 175.78 2yro s PRO 18 N -2.95 4.45 -0.70 1.29 0.04 -1.26 -5.06 135.00 130.80 2yro s PRO 18 Ca 0.32 2.06 -0.21 0.00 0.04 0.00 0.00 61.00 63.21 2yro s PRO 18 Cb -0.11 -3.14 0.09 0.00 0.04 0.00 0.00 34.50 31.39 2yro s PRO 18 CO 0.25 -0.09 0.93 0.12 0.04 0.00 0.00 177.00 178.25 2yro s PHE 19 N -0.82 2.87 -0.42 0.56 5.36 0.14 -4.90 117.98 120.77 2yro s PHE 19 Ca 0.50 -0.86 -0.02 0.00 -0.96 0.00 0.00 56.93 55.59 2yro s PHE 19 Cb -0.37 -4.21 0.11 0.00 -0.34 0.00 0.00 43.02 38.22 2yro s PHE 19 CO 0.46 -1.51 0.20 0.00 -1.46 0.00 0.00 175.22 172.90 2yro s ALA 20 N 3.34 3.15 0.02 11.12 0.00 -1.26 -1.32 121.76 136.82 2yro s ALA 20 Ca 0.21 -2.61 -0.09 0.00 0.00 0.00 0.00 51.96 49.48 2yro s ALA 20 Cb -0.16 -2.36 0.00 0.00 0.00 0.00 0.00 23.12 20.60 2yro s ALA 20 CO 0.05 -1.81 0.17 0.00 0.00 0.00 0.00 175.76 174.16 2yro s ALA 21 N 0.99 -0.35 0.18 0.00 0.00 -1.09 -5.01 121.76 116.48 2yro s ALA 21 Ca 0.09 -0.20 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2yro s ALA 21 Cb -0.22 0.19 -0.04 0.00 0.00 0.00 0.00 23.12 23.05 2yro s ALA 21 CO -0.05 -0.28 0.34 1.03 0.00 0.00 0.00 175.76 176.81 2yro s ARG 22 N -1.96 3.48 0.01 0.00 0.52 -1.26 -1.28 118.95 118.46 2yro s ARG 22 Ca -0.10 -0.48 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 2yro s ARG 22 Cb -0.04 -2.90 -0.06 0.00 0.52 0.00 0.00 34.95 32.47 2yro s ARG 22 CO -0.01 0.45 0.44 -0.51 0.02 0.00 0.00 175.30 175.69 2yro s LEU 23 N -3.33 4.47 0.35 2.53 1.43 0.85 -4.96 118.68 120.02 2yro s LEU 23 Ca 0.36 1.01 0.16 0.00 -1.03 0.00 0.00 54.13 54.63 2yro s LEU 23 Cb -0.11 -2.64 1.19 0.00 0.03 0.00 0.00 46.19 44.66 2yro s LEU 23 CO 0.29 0.30 1.60 0.78 0.23 0.00 0.00 176.35 179.54 2yro h ASN 24 N 4.81 0.24 -4.32 2.29 2.35 -1.99 -3.40 115.58 115.56 2yro h ASN 24 Ca -0.51 0.25 -0.35 0.00 -0.55 0.00 0.00 56.30 55.14 2yro h ASN 24 Cb 1.22 0.27 -0.18 0.00 0.05 0.00 0.00 38.32 39.68 2yro h ASN 24 CO 0.63 -0.36 -0.74 0.42 -1.65 0.00 0.00 177.43 175.73 2yro s THR 25 N -5.63 1.03 -0.12 2.81 -4.23 -1.26 -5.12 115.64 103.13 2yro s THR 25 Ca -0.10 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 58.51 2yro s THR 25 Cb 0.32 -1.35 -0.04 0.00 1.34 0.00 0.00 72.50 72.78 2yro s THR 25 CO 0.78 -0.49 1.54 -2.16 -0.54 0.00 0.00 174.62 173.75 2yro s PRO 26 N -2.63 4.12 1.05 3.99 0.04 -1.26 -4.86 135.00 135.45 2yro s PRO 26 Ca 0.05 1.94 -0.18 0.00 0.04 0.00 0.00 61.00 62.86 2yro s PRO 26 Cb -0.04 -3.93 0.27 0.00 0.04 0.00 0.00 34.50 30.83 2yro s PRO 26 CO 0.01 -0.89 0.79 0.00 0.04 0.00 0.00 177.00 176.95 2yro n MET 27 N 7.08 -3.37 0.00 4.56 0.00 -0.70 -4.86 117.12 119.84 2yro n MET 27 Ca 0.17 -1.28 0.00 0.00 0.00 0.00 0.00 57.70 56.59 2yro n MET 27 Cb 0.44 -1.37 0.00 0.00 0.00 0.00 0.00 33.22 32.28 2yro n MET 27 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2yro n GLY 28 N -3.79 -0.55 3.76 3.17 0.00 -1.24 -3.59 105.19 102.95 2yro n GLY 28 Ca 0.11 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2yro n GLY 28 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 29 N -1.77 4.46 0.00 1.61 0.04 -1.26 -2.86 135.00 135.21 2yro s PRO 29 Ca 0.00 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.10 2yro s PRO 29 Cb 0.00 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.41 2yro s PRO 29 CO 0.00 -0.06 0.00 0.41 0.04 0.00 0.00 177.00 177.39 2yro n GLY 30 N 1.13 2.97 3.71 0.56 0.00 0.61 -4.98 105.19 109.20 2yro n GLY 30 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 2yro n GLY 30 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2yro s ARG 31 N -0.05 4.54 -0.28 1.61 6.06 -1.14 -3.71 118.95 125.99 2yro s ARG 31 Ca 0.00 1.31 -0.06 0.00 -2.50 0.00 0.00 55.73 54.48 2yro s ARG 31 Cb 0.00 -3.45 0.01 0.00 0.06 0.00 0.00 34.95 31.57 2yro s ARG 31 CO 0.00 -0.00 0.04 0.99 -2.50 0.00 0.00 175.30 173.83 2yro s THR 32 N 0.87 3.73 -0.36 4.11 2.01 -1.23 -3.85 115.64 120.93 2yro s THR 32 Ca 0.48 -0.70 -0.07 0.00 0.31 0.00 0.00 61.69 61.71 2yro s THR 32 Cb -0.21 -2.89 0.05 0.00 0.01 0.00 0.00 72.50 69.46 2yro s THR 32 CO 0.26 0.15 0.14 -0.69 -0.69 0.00 0.00 174.62 173.79 2yro s VAL 33 N 1.47 3.87 0.10 3.82 1.01 -0.79 -2.19 120.40 127.69 2yro s VAL 33 Ca 0.03 -1.21 -0.02 0.00 0.00 0.00 0.00 61.98 60.77 2yro s VAL 33 Cb -0.17 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 2yro s VAL 33 CO 0.01 -0.26 0.29 0.68 0.00 0.00 0.00 175.10 175.81 2yro s VAL 34 N 1.40 5.28 -0.29 2.92 -7.23 -0.03 -1.89 120.40 120.56 2yro s VAL 34 Ca -0.00 -0.17 0.02 0.00 -1.81 0.00 0.00 61.98 60.02 2yro s VAL 34 Cb -0.20 -3.62 0.08 0.00 0.56 0.00 0.00 36.38 33.20 2yro s VAL 34 CO 0.03 0.10 -0.00 -0.69 -0.31 0.00 0.00 175.10 174.23 2yro s VAL 35 N -1.57 1.81 -0.24 1.32 1.01 -0.59 -2.89 120.40 119.25 2yro s VAL 35 Ca 0.37 -1.74 -0.19 0.00 0.00 0.00 0.00 61.98 60.42 2yro s VAL 35 Cb -0.13 -2.19 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 2yro s VAL 35 CO 0.26 -0.36 0.57 -0.54 0.00 0.00 0.00 175.10 175.03 2yro s LYS 36 N 1.20 4.12 0.00 2.72 1.02 -1.08 -2.95 119.74 124.76 2yro s LYS 36 Ca 0.02 0.45 0.00 0.00 0.02 0.00 0.00 55.97 56.46 2yro s LYS 36 Cb -0.19 -3.63 0.00 0.00 -0.52 0.00 0.00 37.83 33.49 2yro s LYS 36 CO -0.10 -0.34 0.00 0.41 -0.92 0.00 0.00 175.35 174.41 2yro n GLY 37 N 4.18 1.64 3.27 -3.33 0.00 -1.22 -2.09 105.19 107.63 2yro n GLY 37 Ca -0.03 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.94 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N -2.00 0.99 0.05 1.61 2.02 0.76 -2.92 118.70 119.22 2yro s GLU 38 Ca 0.00 -0.93 0.03 0.00 0.02 0.00 0.00 54.97 54.08 2yro s GLU 38 Cb 0.00 0.39 -0.04 0.00 0.10 0.00 0.00 34.13 34.58 2yro s GLU 38 CO 0.00 -0.35 0.05 0.08 0.02 0.00 0.00 175.26 175.05 2yro s VAL 39 N -3.87 4.38 0.48 2.63 1.01 -0.32 0.09 120.40 124.80 2yro s VAL 39 Ca 0.07 -0.72 -0.13 0.00 0.00 0.00 0.00 61.98 61.20 2yro s VAL 39 Cb 0.03 -3.06 -0.07 0.00 0.00 0.00 0.00 36.38 33.29 2yro s VAL 39 CO -0.09 0.21 0.89 0.20 0.00 0.00 0.00 175.10 176.31 2yro s ASN 40 N -2.10 6.52 0.19 3.32 0.01 -1.26 -1.54 114.94 120.08 2yro s ASN 40 Ca 0.26 1.33 -0.11 0.00 -0.71 0.00 0.00 52.86 53.63 2yro s ASN 40 Cb -0.12 -2.41 0.18 0.00 0.41 0.00 0.00 41.25 39.31 2yro s ASN 40 CO 0.18 -0.54 1.79 0.00 -1.51 0.00 0.00 177.10 177.02 2yro h ALA 41 N 0.88 0.75 -0.83 0.60 0.00 -1.94 -2.17 119.26 116.56 2yro h ALA 41 Ca -0.47 0.02 -0.52 0.00 0.00 0.00 0.00 54.91 53.95 2yro h ALA 41 Cb 1.19 -0.09 -0.28 0.00 0.00 0.00 0.00 17.79 18.61 2yro h ALA 41 CO 0.62 -0.03 0.38 -1.71 0.00 0.00 0.00 179.25 178.51 2yro n ASN 42 N -4.85 5.16 -4.68 0.00 2.85 -1.26 -4.66 115.26 107.82 2yro n ASN 42 Ca 0.06 -3.74 -0.42 0.00 -0.11 0.00 0.00 54.58 50.37 2yro n ASN 42 Cb 0.15 -0.78 -0.03 0.00 1.24 0.00 0.00 39.78 40.37 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2yro s ALA 43 N -3.54 3.48 -0.03 5.20 0.00 -0.84 -4.96 121.76 121.07 2yro s ALA 43 Ca 0.57 0.46 -0.17 0.00 0.00 0.00 0.00 51.96 52.81 2yro s ALA 43 Cb 0.47 -3.49 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 2yro s ALA 43 CO 0.03 -0.74 0.72 -0.22 0.00 0.00 0.00 175.76 175.55 2yro h LYS 44 N 7.34 -0.50 -1.26 0.00 3.64 -1.90 -3.47 116.57 120.41 2yro h LYS 44 Ca -0.31 0.03 0.22 0.00 -1.27 0.00 0.00 60.65 59.33 2yro h LYS 44 Cb 1.14 0.11 -0.24 0.00 -0.41 0.00 0.00 32.23 32.83 2yro h LYS 44 CO 0.88 -0.27 0.84 -1.54 -2.27 0.00 0.00 179.45 177.10 2yro s SER 45 N -4.99 -0.12 0.44 4.20 1.04 -1.26 -3.24 113.70 109.77 2yro s SER 45 Ca -0.09 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.49 2yro s SER 45 Cb 0.01 0.11 -0.06 0.00 0.10 0.00 0.00 66.02 66.18 2yro s SER 45 CO 0.30 -0.14 0.06 0.72 0.98 0.00 0.00 173.24 175.16 2yro s PHE 46 N -1.45 2.36 -0.05 5.02 -0.71 -1.26 -2.56 117.98 119.33 2yro s PHE 46 Ca 0.07 -0.72 -0.18 0.00 -1.04 0.00 0.00 56.93 55.06 2yro s PHE 46 Cb -0.01 -1.78 0.03 0.00 -1.21 0.00 0.00 43.02 40.05 2yro s PHE 46 CO -0.05 0.31 0.40 0.54 -1.34 0.00 0.00 175.22 175.08 2yro s ASN 47 N -3.81 -0.32 -0.32 1.98 4.22 0.07 -3.10 114.94 113.66 2yro s ASN 47 Ca 0.30 0.34 0.01 0.00 -2.14 0.00 0.00 52.86 51.37 2yro s ASN 47 Cb 0.06 0.46 0.10 0.00 1.28 0.00 0.00 41.25 43.15 2yro s ASN 47 CO 0.16 -0.42 0.08 -0.69 -2.04 0.00 0.00 177.10 174.19 2yro s VAL 48 N -1.01 1.43 -0.46 3.54 1.01 -0.91 -2.03 120.40 121.97 2yro s VAL 48 Ca -0.11 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 59.86 2yro s VAL 48 Cb -0.04 -2.07 0.03 0.00 0.00 0.00 0.00 36.38 34.30 2yro s VAL 48 CO 0.05 -0.65 0.73 -1.81 0.00 0.00 0.00 175.10 173.41 2yro s ASP 49 N 1.31 6.35 -0.41 3.32 1.01 -0.21 -2.99 116.67 125.05 2yro s ASP 49 Ca 0.10 -0.31 -0.11 0.00 0.71 0.00 0.00 52.55 52.94 2yro s ASP 49 Cb -0.18 -2.35 0.06 0.00 1.01 0.00 0.00 42.92 41.45 2yro s ASP 49 CO -0.18 -0.89 0.26 -0.22 0.21 0.00 0.00 175.17 174.35 2yro s LEU 50 N 3.10 5.05 0.44 1.23 2.96 -0.80 -1.70 118.68 128.96 2yro s LEU 50 Ca 0.25 -1.26 0.04 0.00 -0.22 0.00 0.00 54.13 52.94 2yro s LEU 50 Cb -0.14 -2.04 -0.04 0.00 0.50 0.00 0.00 46.19 44.47 2yro s LEU 50 CO 0.20 -0.49 0.03 -1.48 -1.32 0.00 0.00 176.35 173.28 2yro s LEU 51 N 1.52 2.42 -0.07 -0.68 0.05 -1.24 -0.59 118.68 120.09 2yro s LEU 51 Ca 0.03 -1.53 -0.01 0.00 0.05 0.00 0.00 54.13 52.67 2yro s LEU 51 Cb -0.22 -0.65 -0.03 0.00 -2.05 0.00 0.00 46.19 43.25 2yro s LEU 51 CO 0.05 -0.71 -0.02 0.00 -0.55 0.00 0.00 176.35 175.13 2yro s ALA 52 N -2.93 3.21 -1.07 1.48 0.00 -0.62 -3.17 121.76 118.67 2yro s ALA 52 Ca 0.22 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2yro s ALA 52 Cb 0.05 -1.40 0.00 0.00 0.00 0.00 0.00 23.12 21.78 2yro s ALA 52 CO 0.11 0.59 0.49 0.41 0.00 0.00 0.00 175.76 177.36 2yro n GLY 53 N 2.03 1.21 0.14 0.00 0.00 -1.26 -2.05 105.19 105.27 2yro n GLY 53 Ca -0.18 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.73 2yro n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yro n LYS 54 N 0.01 0.51 -0.65 1.61 4.76 -1.26 -4.74 118.16 118.39 2yro n LYS 54 Ca 0.00 0.21 0.06 0.00 -2.87 0.00 0.00 58.31 55.71 2yro n LYS 54 Cb 0.21 -1.40 0.19 0.00 -1.84 0.00 0.00 35.03 32.19 2yro n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2yro n SER 55 N -4.39 1.67 -3.97 4.39 7.64 -1.24 -4.98 113.62 112.74 2yro n SER 55 Ca -0.19 -3.66 -0.27 0.00 1.01 0.00 0.00 58.87 55.76 2yro n SER 55 Cb 0.55 -0.50 -0.08 0.00 -1.01 0.00 0.00 64.21 63.17 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yro n LYS 56 N -0.98 -0.91 -4.59 1.43 4.76 -0.87 -4.89 118.16 112.12 2yro n LYS 56 Ca 0.17 0.08 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 2yro n LYS 56 Cb 0.73 -3.12 -0.13 0.00 -1.84 0.00 0.00 35.03 30.67 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2yro s ASP 57 N -3.81 4.45 -0.52 4.39 1.01 -1.24 -4.89 116.67 116.05 2yro s ASP 57 Ca 0.17 -0.20 -0.29 0.00 0.71 0.00 0.00 52.55 52.94 2yro s ASP 57 Cb -0.10 -1.63 0.03 0.00 1.01 0.00 0.00 42.92 42.23 2yro s ASP 57 CO 0.81 0.19 1.22 -0.63 0.21 0.00 0.00 175.17 176.98 2yro s ILE 58 N 0.21 4.04 0.05 0.77 1.01 -0.91 -1.59 121.20 124.78 2yro s ILE 58 Ca -0.05 0.99 -0.20 0.00 0.00 0.00 0.00 60.65 61.39 2yro s ILE 58 Cb -0.14 -4.59 -0.13 0.00 0.01 0.00 0.00 42.46 37.61 2yro s ILE 58 CO 0.04 -1.14 1.42 0.00 0.00 0.00 0.00 174.94 175.26 2yro h ALA 59 N 9.74 0.23 -3.25 9.38 0.00 -1.12 -2.10 119.26 132.15 2yro h ALA 59 Ca -0.25 -0.26 -0.22 0.00 0.00 0.00 0.00 54.91 54.18 2yro h ALA 59 Cb 1.07 -0.06 -0.30 0.00 0.00 0.00 0.00 17.79 18.50 2yro h ALA 59 CO 1.15 0.02 -0.57 -1.17 0.00 0.00 0.00 179.25 178.69 2yro s LEU 60 N -9.31 0.86 -0.29 0.00 2.96 -1.09 -4.19 118.68 107.61 2yro s LEU 60 Ca -0.14 0.33 0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2yro s LEU 60 Cb 0.06 0.45 0.09 0.00 0.50 0.00 0.00 46.19 47.29 2yro s LEU 60 CO 0.74 -0.13 0.04 -2.28 -1.32 0.00 0.00 176.35 173.40 2yro s HIS 61 N 0.91 2.42 -0.39 5.38 5.65 0.41 -1.91 115.29 127.75 2yro s HIS 61 Ca -0.07 -2.04 -0.06 0.00 0.25 0.00 0.00 55.06 53.14 2yro s HIS 61 Cb -0.09 -1.97 0.08 0.00 -1.18 0.00 0.00 32.58 29.42 2yro s HIS 61 CO -0.05 -0.85 0.19 -0.51 -0.65 0.00 0.00 174.74 172.87 2yro s LEU 62 N 1.38 4.92 -0.37 8.88 1.43 -1.16 -2.21 118.68 131.55 2yro s LEU 62 Ca 0.05 -1.59 0.04 0.00 -1.03 0.00 0.00 54.13 51.60 2yro s LEU 62 Cb -0.18 -1.89 0.10 0.00 0.03 0.00 0.00 46.19 44.25 2yro s LEU 62 CO -0.14 -0.48 0.08 0.21 0.23 0.00 0.00 176.35 176.25 2yro s ASN 63 N 1.85 4.74 1.11 2.29 3.84 -0.79 -2.14 114.94 125.85 2yro s ASN 63 Ca 0.03 -2.26 -0.16 0.00 0.21 0.00 0.00 52.86 50.68 2yro s ASN 63 Cb -0.22 -1.64 0.24 0.00 -0.55 0.00 0.00 41.25 39.08 2yro s ASN 63 CO -0.00 -0.37 1.10 -2.16 -2.79 0.00 0.00 177.10 172.88 2yro s PRO 64 N 0.76 -0.49 -0.13 0.43 0.04 -1.18 -2.59 135.00 131.84 2yro s PRO 64 Ca 0.12 0.20 -0.05 0.00 0.04 0.00 0.00 61.00 61.30 2yro s PRO 64 Cb -0.20 -1.66 0.06 0.00 0.04 0.00 0.00 34.50 32.74 2yro s PRO 64 CO -0.07 -3.28 0.28 1.03 0.04 0.00 0.00 177.00 175.00 2yro s ARG 65 N -5.19 0.19 -0.04 4.56 0.52 0.31 -4.22 118.95 115.09 2yro s ARG 65 Ca 0.68 0.70 -0.01 0.00 -0.52 0.00 0.00 55.73 56.59 2yro s ARG 65 Cb -0.14 -0.04 -0.26 0.00 0.52 0.00 0.00 34.95 35.03 2yro s ARG 65 CO 0.57 -0.24 0.70 -0.07 0.02 0.00 0.00 175.30 176.28 2yro h LEU 66 N 7.87 0.33 -0.97 2.53 3.38 -1.83 0.11 115.31 126.74 2yro h LEU 66 Ca -0.24 -0.55 0.12 0.00 0.09 0.00 0.00 57.88 57.31 2yro h LEU 66 Cb 1.13 -0.11 -0.14 0.00 0.09 0.00 0.00 40.66 41.64 2yro h LEU 66 CO 0.22 1.47 -0.49 -1.13 0.09 0.00 0.00 178.44 178.60 2yro h ASN 67 N 0.06 -1.79 0.00 -0.43 -1.24 -1.91 -2.45 115.58 107.82 2yro h ASN 67 Ca -0.29 0.32 -0.04 0.00 0.71 0.00 0.00 56.30 56.99 2yro h ASN 67 Cb 2.02 0.85 -0.08 0.00 0.73 0.00 0.00 38.32 41.84 2yro h ASN 67 CO 0.13 -0.26 -0.60 2.30 -1.29 0.00 0.00 177.43 177.70 2yro n ILE 68 N -5.36 1.70 -4.15 2.57 -0.00 -1.26 -4.99 119.36 107.87 2yro n ILE 68 Ca 0.06 -2.70 -0.30 0.00 -0.00 0.00 0.00 62.75 59.80 2yro n ILE 68 Cb 0.33 0.04 -0.06 0.00 -0.00 0.00 0.00 39.64 39.95 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -0.00 0.00 0.00 176.55 176.84 2yro n LYS 69 N -0.77 -1.71 -4.14 6.28 5.02 -0.71 -4.93 118.16 117.20 2yro n LYS 69 Ca 0.16 0.21 -0.35 0.00 -2.02 0.00 0.00 58.31 56.32 2yro n LYS 69 Cb 0.79 -3.84 -0.12 0.00 -0.02 0.00 0.00 35.03 31.84 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2yro s ALA 70 N -4.13 3.07 -0.34 7.82 0.00 0.31 -4.91 121.76 123.58 2yro s ALA 70 Ca 0.06 -0.92 -0.09 0.00 0.00 0.00 0.00 51.96 51.01 2yro s ALA 70 Cb -0.03 -1.74 0.02 0.00 0.00 0.00 0.00 23.12 21.37 2yro s ALA 70 CO 0.95 -0.03 0.15 0.12 0.00 0.00 0.00 175.76 176.95 2yro s PHE 71 N 0.79 3.21 -0.07 0.00 2.19 -1.26 0.11 117.98 122.95 2yro s PHE 71 Ca 0.00 -0.96 -0.12 0.00 0.33 0.00 0.00 56.93 56.19 2yro s PHE 71 Cb -0.14 -2.35 -0.05 0.00 -1.31 0.00 0.00 43.02 39.17 2yro s PHE 71 CO 0.02 -0.61 0.29 0.08 1.83 0.00 0.00 175.22 176.83 2yro s VAL 72 N 1.53 5.25 -0.09 3.12 1.01 -1.07 -4.33 120.40 125.82 2yro s VAL 72 Ca 0.02 0.56 -0.04 0.00 0.00 0.00 0.00 61.98 62.52 2yro s VAL 72 Cb -0.18 -3.58 0.04 0.00 0.00 0.00 0.00 36.38 32.66 2yro s VAL 72 CO 0.05 0.56 0.19 0.00 0.00 0.00 0.00 175.10 175.91 2yro s ARG 73 N -0.79 0.13 -0.13 2.72 1.70 -1.26 -1.88 118.95 119.44 2yro s ARG 73 Ca 0.19 0.49 -0.34 0.00 -0.47 0.00 0.00 55.73 55.60 2yro s ARG 73 Cb -0.14 -0.16 0.13 0.00 -0.57 0.00 0.00 34.95 34.21 2yro s ARG 73 CO 0.08 -0.19 1.25 1.21 -1.08 0.00 0.00 175.30 176.57 2yro s ASN 74 N 1.45 -0.10 0.12 -2.89 2.47 -0.94 -4.42 114.94 110.64 2yro s ASN 74 Ca -0.07 -0.05 0.09 0.00 0.42 0.00 0.00 52.86 53.26 2yro s ASN 74 Cb -0.11 0.14 -0.04 0.00 -1.45 0.00 0.00 41.25 39.79 2yro s ASN 74 CO -0.07 -0.24 -0.19 -0.55 -3.72 0.00 0.00 177.10 172.34 2yro s SER 75 N -2.47 3.85 -0.37 -4.21 0.15 -1.26 -0.44 113.70 108.95 2yro s SER 75 Ca 0.11 -0.58 0.00 0.00 0.70 0.00 0.00 55.95 56.19 2yro s SER 75 Cb 0.01 -0.52 0.10 0.00 -1.71 0.00 0.00 66.02 63.90 2yro s SER 75 CO -0.04 0.18 0.11 0.12 1.20 0.00 0.00 173.24 174.81 2yro s PHE 76 N -1.16 3.62 0.15 3.44 5.36 -0.79 -2.85 117.98 125.76 2yro s PHE 76 Ca 0.18 -2.60 0.11 0.00 -0.96 0.00 0.00 56.93 53.65 2yro s PHE 76 Cb -0.10 -2.97 -0.04 0.00 -0.34 0.00 0.00 43.02 39.57 2yro s PHE 76 CO 0.10 -0.95 -0.25 -0.51 -1.46 0.00 0.00 175.22 172.15 2yro s LEU 77 N 1.05 2.36 -1.74 6.12 1.43 -1.05 -2.14 118.68 124.72 2yro s LEU 77 Ca 0.08 -0.79 -0.17 0.00 -1.03 0.00 0.00 54.13 52.22 2yro s LEU 77 Cb -0.21 -1.15 0.16 0.00 0.03 0.00 0.00 46.19 45.02 2yro s LEU 77 CO -0.05 0.14 0.61 0.00 0.23 0.00 0.00 176.35 177.27 2yro n GLN 78 N 0.69 -2.02 -4.02 1.70 6.02 -1.26 0.80 117.38 119.28 2yro n GLN 78 Ca -0.16 0.26 -0.32 0.00 -0.01 0.00 0.00 57.00 56.76 2yro n GLN 78 Cb 0.54 -4.75 0.01 0.00 1.02 0.00 0.00 30.24 27.06 2yro n GLN 78 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2yro n GLU 79 N -4.29 -4.71 -3.70 -1.09 1.02 -1.26 -4.95 120.64 101.66 2yro n GLU 79 Ca 0.02 0.52 -0.15 0.00 -0.02 0.00 0.00 57.16 57.53 2yro n GLU 79 Cb 0.51 -5.35 -0.15 0.00 -0.02 0.00 0.00 31.44 26.43 2yro n GLU 79 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2yro s SER 80 N -3.31 0.36 0.07 1.62 1.04 0.24 -5.14 113.70 108.59 2yro s SER 80 Ca 0.69 0.36 -0.30 0.00 0.48 0.00 0.00 55.95 57.18 2yro s SER 80 Cb -0.36 0.29 -0.05 0.00 0.10 0.00 0.00 66.02 66.01 2yro s SER 80 CO 0.86 -0.21 0.96 0.26 0.98 0.00 0.00 173.24 176.10 2yro s TRP 81 N 1.87 3.76 0.00 5.02 0.52 -1.26 -2.53 118.94 126.31 2yro s TRP 81 Ca -0.02 1.76 0.00 0.00 0.02 0.00 0.00 56.10 57.86 2yro s TRP 81 Cb -0.12 -3.07 0.00 0.00 -1.15 0.00 0.00 33.47 29.13 2yro s TRP 81 CO -0.06 0.13 0.00 0.41 0.02 0.00 0.00 176.95 177.45 2yro n GLY 82 N 2.48 0.53 3.81 0.98 0.00 -1.13 -5.02 105.19 106.84 2yro n GLY 82 Ca 0.03 -0.13 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 2yro n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yro s GLU 83 N 0.00 3.36 -0.05 1.61 2.12 -1.26 -5.01 118.70 119.47 2yro s GLU 83 Ca 0.00 -0.22 -0.02 0.00 0.36 0.00 0.00 54.97 55.10 2yro s GLU 83 Cb 0.00 -3.09 0.04 0.00 0.26 0.00 0.00 34.13 31.33 2yro s GLU 83 CO 0.00 0.72 0.10 -1.83 -0.54 0.00 0.00 175.26 173.71 2yro s GLU 84 N -0.89 0.03 0.23 4.30 4.04 -1.26 -4.55 118.70 120.60 2yro s GLU 84 Ca 0.14 0.31 0.07 0.00 0.04 0.00 0.00 54.97 55.54 2yro s GLU 84 Cb -0.12 -0.23 -0.05 0.00 0.02 0.00 0.00 34.13 33.76 2yro s GLU 84 CO 0.03 -0.18 -0.11 -2.00 -1.84 0.00 0.00 175.26 171.16 2yro s GLU 85 N 1.25 1.41 -0.54 -4.83 2.56 -1.26 -5.03 118.70 112.26 2yro s GLU 85 Ca -0.08 -1.66 0.02 0.00 0.00 0.00 0.00 54.97 53.25 2yro s GLU 85 Cb -0.12 -1.13 0.14 0.00 2.00 0.00 0.00 34.13 35.02 2yro s GLU 85 CO -0.05 0.13 0.30 1.03 -0.56 0.00 0.00 175.26 176.11 2yro s ARG 86 N -3.68 2.12 -0.29 4.30 0.52 -1.26 -4.41 118.95 116.25 2yro s ARG 86 Ca 0.25 -2.55 -0.18 0.00 -0.52 0.00 0.00 55.73 52.73 2yro s ARG 86 Cb 0.01 -3.43 0.15 0.00 0.52 0.00 0.00 34.95 32.20 2yro s ARG 86 CO 0.09 -1.12 1.05 0.54 0.02 0.00 0.00 175.30 175.88 2yro s ASN 87 N 0.07 -0.41 0.09 0.23 4.22 -1.26 -4.95 114.94 112.92 2yro s ASN 87 Ca 0.17 0.68 -0.08 0.00 -2.14 0.00 0.00 52.86 51.49 2yro s ASN 87 Cb -0.24 1.05 -0.01 0.00 1.28 0.00 0.00 41.25 43.34 2yro s ASN 87 CO -0.01 -0.11 0.17 0.27 -2.04 0.00 0.00 177.10 175.37 2yro s ILE 88 N 1.01 0.15 0.21 0.54 -4.36 -1.26 -4.92 121.20 112.57 2yro s ILE 88 Ca -0.06 -1.27 -0.03 0.00 -0.26 0.00 0.00 60.65 59.04 2yro s ILE 88 Cb -0.04 -1.38 -0.01 0.00 1.25 0.00 0.00 42.46 42.28 2yro s ILE 88 CO -0.13 -0.68 1.57 0.00 0.24 0.00 0.00 174.94 175.94 2yro h THR 89 N 2.79 1.30 -1.78 8.37 1.03 -1.96 -3.46 112.91 119.20 2yro h THR 89 Ca -0.34 -1.58 0.01 0.00 -0.01 0.00 0.00 66.41 64.49 2yro h THR 89 Cb 1.19 1.53 -0.22 0.00 -1.07 0.00 0.00 68.15 69.58 2yro h THR 89 CO 0.57 0.50 0.34 -0.94 -0.01 0.00 0.00 175.52 175.98 2yro s SER 90 N -6.85 -0.55 -0.63 0.00 1.04 -1.26 -5.12 113.70 100.33 2yro s SER 90 Ca -0.08 0.85 -0.10 0.00 0.48 0.00 0.00 55.95 57.10 2yro s SER 90 Cb 0.12 0.79 0.16 0.00 0.10 0.00 0.00 66.02 67.20 2yro s SER 90 CO 0.84 -0.33 0.52 0.12 0.98 0.00 0.00 173.24 175.36 2yro s PHE 91 N -0.41 3.51 0.02 5.02 5.36 -1.26 -4.93 117.98 125.29 2yro s PHE 91 Ca -0.02 -2.01 -0.22 0.00 -0.96 0.00 0.00 56.93 53.72 2yro s PHE 91 Cb -0.03 -3.58 -0.16 0.00 -0.34 0.00 0.00 43.02 38.91 2yro s PHE 91 CO 0.01 -0.96 1.32 -1.00 -1.46 0.00 0.00 175.22 173.13 2yro h PRO 92 N 7.99 0.25 -6.03 10.12 0.13 -1.98 -3.45 132.00 139.04 2yro h PRO 92 Ca -0.08 -0.13 -0.78 0.00 -0.87 0.00 0.00 66.00 64.13 2yro h PRO 92 Cb 1.04 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.22 2yro h PRO 92 CO 0.82 0.67 0.14 1.19 -0.23 0.00 0.00 178.00 180.59 2yro n PHE 93 N -4.64 0.80 -3.87 1.56 3.72 -1.26 -4.96 117.46 108.82 2yro n PHE 93 Ca -0.07 1.02 -0.11 0.00 -0.05 0.00 0.00 57.45 58.24 2yro n PHE 93 Cb 0.33 -2.13 -0.10 0.00 -0.94 0.00 0.00 39.48 36.65 2yro n PHE 93 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 176.76 175.59 2yro s SER 94 N 0.25 0.02 0.03 4.37 0.01 -1.26 -5.00 113.70 112.12 2yro s SER 94 Ca 0.91 -0.21 -0.30 0.00 1.31 0.00 0.00 55.95 57.66 2yro s SER 94 Cb -1.25 0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.13 2yro s SER 94 CO 0.58 -0.38 1.43 -2.16 0.41 0.00 0.00 173.24 173.11 2yro s PRO 95 N -1.43 4.28 -0.19 12.44 0.04 -1.26 -3.47 135.00 145.41 2yro s PRO 95 Ca -0.14 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 62.92 2yro s PRO 95 Cb -0.07 -3.52 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2yro s PRO 95 CO 0.02 -0.57 0.16 0.41 0.04 0.00 0.00 177.00 177.06 2yro n GLY 96 N 3.66 0.41 3.42 0.56 0.00 -0.59 -4.71 105.19 107.94 2yro n GLY 96 Ca 0.13 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.63 2yro n GLY 96 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 2yro s MET 97 N -4.43 1.29 -0.26 1.61 0.23 -1.21 -4.96 119.30 111.58 2yro s MET 97 Ca 0.02 -1.16 -0.09 0.00 -1.03 0.00 0.00 55.69 53.43 2yro s MET 97 Cb -0.01 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 2yro s MET 97 CO 0.11 -0.50 0.12 -0.47 -2.03 0.00 0.00 175.02 172.25 2yro s TYR 98 N -3.97 3.15 -0.04 3.16 6.14 -1.26 -1.17 117.35 123.36 2yro s TYR 98 Ca 0.18 -0.16 0.06 0.00 0.64 0.00 0.00 57.07 57.79 2yro s TYR 98 Cb 0.02 -2.29 -0.02 0.00 0.42 0.00 0.00 41.96 40.09 2yro s TYR 98 CO 0.02 -0.25 -0.21 -0.59 0.64 0.00 0.00 175.55 175.17 2yro s PHE 99 N 1.61 2.50 -0.18 4.97 -0.12 -1.15 -4.92 117.98 120.69 2yro s PHE 99 Ca 0.07 -0.38 0.01 0.00 -0.05 0.00 0.00 56.93 56.58 2yro s PHE 99 Cb -0.15 -1.57 0.03 0.00 -0.63 0.00 0.00 43.02 40.70 2yro s PHE 99 CO 0.07 0.02 -0.14 -2.00 -0.05 0.00 0.00 175.22 173.12 2yro s GLU 100 N -0.57 2.35 -0.04 1.99 -6.30 -1.26 -3.45 118.70 111.42 2yro s GLU 100 Ca 0.08 -0.78 -0.09 0.00 -2.50 0.00 0.00 54.97 51.68 2yro s GLU 100 Cb -0.11 -2.38 -0.05 0.00 0.00 0.00 0.00 34.13 31.59 2yro s GLU 100 CO 0.00 -0.33 0.27 1.41 0.02 0.00 0.00 175.26 176.64 2yro s MET 101 N 1.38 3.64 -0.33 4.30 -2.45 -1.15 -0.95 119.30 123.74 2yro s MET 101 Ca 0.02 0.07 0.01 0.00 -1.25 0.00 0.00 55.69 54.54 2yro s MET 101 Cb -0.15 -3.16 0.10 0.00 1.25 0.00 0.00 34.83 32.87 2yro s MET 101 CO -0.10 0.71 0.10 0.42 1.05 0.00 0.00 175.02 177.20 2yro s ILE 102 N -1.13 1.28 -0.31 10.11 1.01 -0.58 -1.55 121.20 130.03 2yro s ILE 102 Ca 0.22 -1.75 -0.23 0.00 0.00 0.00 0.00 60.65 58.89 2yro s ILE 102 Cb -0.14 -1.96 0.00 0.00 0.01 0.00 0.00 42.46 40.37 2yro s ILE 102 CO 0.11 -0.68 0.78 -0.63 0.00 0.00 0.00 174.94 174.52 2yro s ILE 103 N 1.32 4.80 -0.04 2.92 1.01 -0.79 -3.46 121.20 126.96 2yro s ILE 103 Ca 0.11 1.14 0.06 0.00 0.00 0.00 0.00 60.65 61.97 2yro s ILE 103 Cb -0.18 -4.14 -0.02 0.00 0.01 0.00 0.00 42.46 38.13 2yro s ILE 103 CO -0.19 -0.25 -0.23 -0.47 0.00 0.00 0.00 174.94 173.80 2yro s TYR 104 N 2.94 2.45 -0.39 3.97 5.04 -1.23 -1.88 117.35 128.25 2yro s TYR 104 Ca 0.32 -0.48 -0.03 0.00 -2.44 0.00 0.00 57.07 54.44 2yro s TYR 104 Cb -0.14 -1.57 0.10 0.00 0.35 0.00 0.00 41.96 40.70 2yro s TYR 104 CO 0.13 -0.06 0.17 0.00 -1.34 0.00 0.00 175.55 174.44 2yro n ASP 106 N 4.59 3.54 -1.88 0.00 -0.08 -1.25 -0.28 116.55 121.19 2yro n ASP 106 Ca -0.04 -2.97 -0.10 0.00 -1.51 0.00 0.00 54.79 50.17 2yro n ASP 106 Cb 0.42 -0.71 -0.02 0.00 2.34 0.00 0.00 41.12 43.15 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2yro n VAL 107 N -0.44 -0.25 0.00 5.18 0.31 -1.26 -4.59 118.33 117.28 2yro n VAL 107 Ca 0.36 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.69 2yro n VAL 107 Cb 1.20 -1.22 0.00 0.00 -0.91 0.00 0.00 33.84 32.91 2yro n VAL 107 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2yro n ARG 108 N -2.22 0.76 -3.89 5.55 5.12 -1.26 -5.11 116.66 115.60 2yro n ARG 108 Ca -0.11 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.81 2yro n ARG 108 Cb 0.47 -0.63 0.01 0.00 -1.16 0.00 0.00 32.46 31.15 2yro n ARG 108 CO 0.00 0.00 0.00 -1.83 -1.93 0.00 0.00 177.63 173.87 2yro s GLU 109 N -1.25 0.81 -0.34 5.56 4.04 -1.26 -4.01 118.70 122.25 2yro s GLU 109 Ca 0.00 -0.52 -0.09 0.00 0.04 0.00 0.00 54.97 54.40 2yro s GLU 109 Cb 0.00 0.23 0.02 0.00 0.02 0.00 0.00 34.13 34.40 2yro s GLU 109 CO 0.00 -0.38 0.16 -0.06 -1.84 0.00 0.00 175.26 173.14 2yro s PHE 110 N -2.18 3.22 0.26 4.83 0.40 0.92 -3.86 117.98 121.57 2yro s PHE 110 Ca 0.24 -0.97 0.03 0.00 -0.60 0.00 0.00 56.93 55.62 2yro s PHE 110 Cb -0.01 -2.37 -0.03 0.00 0.51 0.00 0.00 43.02 41.12 2yro s PHE 110 CO 0.02 -0.62 0.42 0.15 0.70 0.00 0.00 175.22 175.89 2yro s LYS 111 N 1.53 3.47 -0.19 0.44 1.02 -1.17 -2.65 119.74 122.20 2yro s LYS 111 Ca 0.02 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.37 2yro s LYS 111 Cb -0.19 -2.82 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 2yro s LYS 111 CO 0.05 0.35 0.43 0.54 -0.92 0.00 0.00 175.35 175.80 2yro s VAL 112 N -2.04 -0.26 -0.04 3.17 0.11 -1.26 -3.52 120.40 116.56 2yro s VAL 112 Ca 0.37 0.12 0.03 0.00 -2.93 0.00 0.00 61.98 59.56 2yro s VAL 112 Cb -0.10 -0.65 0.00 0.00 -1.53 0.00 0.00 36.38 34.11 2yro s VAL 112 CO 0.31 0.05 -0.12 0.00 -3.33 0.00 0.00 175.10 172.01 2yro s ALA 113 N 1.86 1.12 -0.16 1.54 0.00 -1.22 -2.62 121.76 122.28 2yro s ALA 113 Ca -0.07 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 2yro s ALA 113 Cb -0.10 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 2yro s ALA 113 CO -0.13 0.16 -0.09 0.08 0.00 0.00 0.00 175.76 175.79 2yro s VAL 114 N 0.29 3.29 -1.41 0.00 1.01 0.60 -1.53 120.40 122.64 2yro s VAL 114 Ca -0.06 -0.56 -0.05 0.00 0.00 0.00 0.00 61.98 61.31 2yro s VAL 114 Cb -0.11 -2.43 0.04 0.00 0.00 0.00 0.00 36.38 33.87 2yro s VAL 114 CO 0.02 0.49 0.76 0.59 0.00 0.00 0.00 175.10 176.95 2yro n ASN 115 N 3.94 -2.35 -2.74 3.32 3.02 -0.13 -1.19 115.26 119.13 2yro n ASN 115 Ca -0.18 -0.84 -0.20 0.00 -0.03 0.00 0.00 54.58 53.33 2yro n ASN 115 Cb 0.52 -3.81 0.04 0.00 -0.61 0.00 0.00 39.78 35.92 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2yro n GLY 116 N -1.67 -0.35 2.90 7.41 0.00 -1.26 -5.00 105.19 107.22 2yro n GLY 116 Ca -0.17 0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.72 2yro n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2yro s VAL 117 N -3.13 -0.36 0.14 1.61 1.01 -0.33 -5.13 120.40 114.20 2yro s VAL 117 Ca 0.31 0.21 -0.31 0.00 0.00 0.00 0.00 61.98 62.18 2yro s VAL 117 Cb -0.14 -0.46 -0.09 0.00 0.00 0.00 0.00 36.38 35.69 2yro s VAL 117 CO 0.39 0.05 1.56 -2.28 0.00 0.00 0.00 175.10 174.82 2yro s HIS 118 N 2.37 2.94 0.00 5.22 2.46 -1.26 -0.29 115.29 126.73 2yro s HIS 118 Ca 0.03 0.60 0.00 0.00 0.47 0.00 0.00 55.06 56.16 2yro s HIS 118 Cb -0.13 -3.91 0.00 0.00 -0.13 0.00 0.00 32.58 28.42 2yro s HIS 118 CO -0.09 -3.39 0.00 0.43 -2.47 0.00 0.00 174.74 169.22 2yro n SER 119 N 4.34 0.00 -3.58 9.88 7.64 -1.08 -4.92 113.62 125.91 2yro n SER 119 Ca 0.14 0.14 -0.16 0.00 1.01 0.00 0.00 58.87 60.00 2yro n SER 119 Cb 0.39 -0.49 -0.08 0.00 -1.01 0.00 0.00 64.21 63.03 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2yro s LEU 120 N -4.66 1.35 0.14 -3.43 -0.00 -1.26 -4.39 118.68 106.44 2yro s LEU 120 Ca 0.00 -1.56 0.08 0.00 -0.00 0.00 0.00 54.13 52.65 2yro s LEU 120 Cb 0.00 0.79 -0.04 0.00 -0.00 0.00 0.00 46.19 46.94 2yro s LEU 120 CO 0.00 -1.07 -0.17 -1.61 -0.00 0.00 0.00 176.35 173.50 2yro s GLU 121 N -3.57 1.17 -0.12 1.48 2.02 -1.26 -4.02 118.70 114.40 2yro s GLU 121 Ca 0.37 -1.32 -0.08 0.00 0.02 0.00 0.00 54.97 53.96 2yro s GLU 121 Cb 0.03 -1.20 0.04 0.00 0.10 0.00 0.00 34.13 33.10 2yro s GLU 121 CO 0.21 0.25 0.30 -0.47 0.02 0.00 0.00 175.26 175.57 2yro s TYR 122 N -1.95 -0.40 0.57 1.61 6.14 -1.08 -5.06 117.35 117.18 2yro s TYR 122 Ca 0.12 0.91 -0.19 0.00 0.64 0.00 0.00 57.07 58.56 2yro s TYR 122 Cb -0.06 0.12 -0.05 0.00 0.42 0.00 0.00 41.96 42.39 2yro s TYR 122 CO 0.05 -0.24 1.14 0.15 0.64 0.00 0.00 175.55 177.30 2yro s LYS 123 N 0.98 3.20 -0.73 4.97 -0.14 -1.26 -0.06 119.74 126.71 2yro s LYS 123 Ca -0.07 1.63 -0.26 0.00 -1.36 0.00 0.00 55.97 55.91 2yro s LYS 123 Cb -0.08 -1.98 -0.15 0.00 -1.68 0.00 0.00 37.83 33.94 2yro s LYS 123 CO -0.07 -0.98 2.47 0.72 -0.76 0.00 0.00 175.35 176.73 2yro n HIS 124 N -1.51 1.01 -0.04 3.18 8.25 -1.26 -4.57 115.22 120.29 2yro n HIS 124 Ca 0.12 0.16 -0.14 0.00 -0.26 0.00 0.00 57.72 57.60 2yro n HIS 124 Cb 0.51 -2.36 -0.11 0.00 1.12 0.00 0.00 29.99 29.15 2yro n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yro h ARG 125 N 15.60 0.02 -5.70 -0.41 2.47 -1.88 -3.42 114.38 121.06 2yro h ARG 125 Ca -0.12 -0.01 -0.61 0.00 -1.26 0.00 0.00 59.98 57.97 2yro h ARG 125 Cb 1.22 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 29.43 2yro h ARG 125 CO 1.24 0.72 0.31 0.12 0.56 0.00 0.00 179.97 182.93 2yro s PHE 126 N -3.38 3.16 0.08 3.04 5.36 -1.26 -4.96 117.98 120.01 2yro s PHE 126 Ca -0.17 0.61 -0.36 0.00 -0.96 0.00 0.00 56.93 56.05 2yro s PHE 126 Cb -0.00 -3.24 -0.18 0.00 -0.34 0.00 0.00 43.02 39.26 2yro s PHE 126 CO 0.69 -0.63 1.57 0.87 -1.46 0.00 0.00 175.22 176.26 2yro h LYS 127 N 8.32 -1.02 -6.13 10.12 1.79 -1.98 -3.37 116.57 124.30 2yro h LYS 127 Ca -0.25 0.07 -0.52 0.00 -2.18 0.00 0.00 60.65 57.76 2yro h LYS 127 Cb 1.10 0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 31.94 2yro h LYS 127 CO 0.87 -0.68 1.28 -2.00 -1.08 0.00 0.00 179.45 177.85 2yro s GLU 128 N -5.91 2.91 0.07 3.15 2.56 -1.26 -4.82 118.70 115.40 2yro s GLU 128 Ca -0.18 0.70 0.09 0.00 0.00 0.00 0.00 54.97 55.58 2yro s GLU 128 Cb 0.04 -4.29 -0.21 0.00 2.00 0.00 0.00 34.13 31.66 2yro s GLU 128 CO 0.61 -2.39 1.09 -0.07 -0.56 0.00 0.00 175.26 173.94 2yro h LEU 129 N 15.14 0.00 -2.05 2.70 3.38 -1.90 -3.28 115.31 129.30 2yro h LEU 129 Ca -0.28 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.63 2yro h LEU 129 Cb 1.15 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.86 2yro h LEU 129 CO 1.18 0.99 0.08 -0.24 0.09 0.00 0.00 178.44 180.54 2yro n SER 130 N -3.25 2.69 -0.06 -0.43 2.88 -1.24 -3.52 113.62 110.69 2yro n SER 130 Ca -0.05 -2.25 -0.08 0.00 -1.33 0.00 0.00 58.87 55.16 2yro n SER 130 Cb 0.97 -0.55 -0.06 0.00 -0.75 0.00 0.00 64.21 63.82 2yro n SER 130 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2yro n SER 131 N 0.17 2.90 -4.54 -3.46 7.64 -1.24 -4.80 113.62 110.30 2yro n SER 131 Ca 0.09 -0.05 -0.29 0.00 1.01 0.00 0.00 58.87 59.63 2yro n SER 131 Cb 0.61 0.04 -0.09 0.00 -1.01 0.00 0.00 64.21 63.77 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 2yro n ILE 132 N -2.74 -0.04 -0.04 0.44 5.41 -1.23 -4.07 119.36 117.09 2yro n ILE 132 Ca -0.21 -0.54 -0.05 0.00 1.00 0.00 0.00 62.75 62.95 2yro n ILE 132 Cb 0.76 -1.84 -0.05 0.00 -0.71 0.00 0.00 39.64 37.80 2yro n ILE 132 CO 0.00 0.00 0.00 -0.67 0.00 0.00 0.00 176.55 175.88 2yro n ASP 133 N 14.49 3.24 -4.87 4.38 2.03 -1.25 -1.71 116.55 132.85 2yro n ASP 133 Ca 0.49 -0.03 -0.32 0.00 0.52 0.00 0.00 54.79 55.44 2yro n ASP 133 Cb 0.37 0.19 -0.05 0.00 -0.72 0.00 0.00 41.12 40.91 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2yro s THR 134 N -2.18 4.95 -0.17 5.18 2.01 -1.19 -0.11 115.64 124.13 2yro s THR 134 Ca -0.09 0.48 -0.04 0.00 0.31 0.00 0.00 61.69 62.35 2yro s THR 134 Cb 0.03 -3.63 0.06 0.00 0.01 0.00 0.00 72.50 68.96 2yro s THR 134 CO 0.25 -0.01 0.06 -0.22 -0.69 0.00 0.00 174.62 174.01 2yro s LEU 135 N -2.68 0.69 -0.14 4.42 2.96 -0.40 -3.65 118.68 119.88 2yro s LEU 135 Ca 0.45 -0.63 -0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2yro s LEU 135 Cb -0.12 -0.39 -0.03 0.00 0.50 0.00 0.00 46.19 46.15 2yro s LEU 135 CO 0.21 -0.32 -0.04 -1.61 -1.32 0.00 0.00 176.35 173.27 2yro s GLU 136 N 2.01 3.56 -0.02 1.98 2.02 -0.69 -2.67 118.70 124.89 2yro s GLU 136 Ca 0.01 -0.52 0.01 0.00 0.02 0.00 0.00 54.97 54.49 2yro s GLU 136 Cb -0.16 -2.87 0.01 0.00 0.10 0.00 0.00 34.13 31.21 2yro s GLU 136 CO -0.08 0.30 -0.04 0.42 0.02 0.00 0.00 175.26 175.87 2yro s ILE 137 N 0.21 0.42 0.20 -1.63 1.01 -0.43 -1.04 121.20 119.94 2yro s ILE 137 Ca -0.02 -0.15 -0.11 0.00 0.00 0.00 0.00 60.65 60.36 2yro s ILE 137 Cb -0.14 -0.40 -0.00 0.00 0.01 0.00 0.00 42.46 41.92 2yro s ILE 137 CO 0.03 0.15 0.38 0.21 0.00 0.00 0.00 174.94 175.71 2yro s ASN 138 N 0.33 -0.04 0.00 3.58 3.84 -0.86 0.26 114.94 122.04 2yro s ASN 138 Ca -0.04 -0.88 0.00 0.00 0.21 0.00 0.00 52.86 52.15 2yro s ASN 138 Cb -0.07 0.51 0.00 0.00 -0.55 0.00 0.00 41.25 41.14 2yro s ASN 138 CO -0.00 -1.01 0.00 0.61 -2.79 0.00 0.00 177.10 173.91 2yro n GLY 139 N -0.30 0.68 2.15 1.21 0.00 -1.26 -0.75 105.19 106.92 2yro n GLY 139 Ca -0.05 -1.77 -0.29 0.00 0.00 0.00 0.00 46.02 43.91 2yro n GLY 139 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yro n ASP 140 N 1.23 6.25 -4.64 1.61 8.00 -1.06 -4.97 116.55 122.97 2yro n ASP 140 Ca 0.00 -3.76 -0.26 0.00 0.71 0.00 0.00 54.79 51.48 2yro n ASP 140 Cb 0.00 -0.78 -0.09 0.00 -0.02 0.00 0.00 41.12 40.23 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2yro s ILE 141 N -4.51 2.36 -0.32 0.53 -5.25 -1.26 -4.01 121.20 108.75 2yro s ILE 141 Ca 0.59 -1.95 -0.08 0.00 -0.99 0.00 0.00 60.65 58.22 2yro s ILE 141 Cb 0.47 -2.87 0.01 0.00 2.95 0.00 0.00 42.46 43.03 2yro s ILE 141 CO 0.01 -0.11 0.12 -2.28 -1.79 0.00 0.00 174.94 170.89 2yro s HIS 142 N -2.59 3.19 0.48 1.37 5.65 0.11 -4.94 115.29 118.56 2yro s HIS 142 Ca 0.36 -0.98 -0.14 0.00 0.25 0.00 0.00 55.06 54.55 2yro s HIS 142 Cb 0.03 -2.31 -0.07 0.00 -1.18 0.00 0.00 32.58 29.06 2yro s HIS 142 CO 0.19 -0.59 0.92 -1.17 -0.65 0.00 0.00 174.74 173.44 2yro s LEU 143 N 1.51 3.68 0.07 8.88 2.96 -1.26 -0.17 118.68 134.35 2yro s LEU 143 Ca 0.02 1.42 0.00 0.00 -0.22 0.00 0.00 54.13 55.35 2yro s LEU 143 Cb -0.18 -4.35 0.00 0.00 0.50 0.00 0.00 46.19 42.16 2yro s LEU 143 CO 0.04 -0.54 0.00 0.18 -1.32 0.00 0.00 176.35 174.71 2yro n LEU 144 N -1.53 0.71 -3.62 -0.68 4.77 -0.89 -3.04 117.00 112.73 2yro n LEU 144 Ca 0.05 0.10 -0.04 0.00 -0.03 0.00 0.00 56.01 56.09 2yro n LEU 144 Cb 0.54 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 41.39 2yro n LEU 144 CO 0.47 -0.51 1.06 -0.70 -1.33 0.00 0.00 177.39 176.37 2yro s GLU 145 N -2.00 0.22 -0.04 3.23 2.56 -1.14 -3.06 118.70 118.47 2yro s GLU 145 Ca 0.00 -0.02 0.02 0.00 0.00 0.00 0.00 54.97 54.97 2yro s GLU 145 Cb 0.00 0.10 -0.03 0.00 2.00 0.00 0.00 34.13 36.20 2yro s GLU 145 CO 0.00 -0.08 -0.07 0.08 -0.56 0.00 0.00 175.26 174.63 2yro s VAL 146 N -1.69 3.65 0.03 3.70 1.01 -1.26 -2.62 120.40 123.22 2yro s VAL 146 Ca 0.08 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.48 2yro s VAL 146 Cb -0.01 -2.52 -0.02 0.00 0.00 0.00 0.00 36.38 33.83 2yro s VAL 146 CO -0.05 0.52 -0.06 -0.13 0.00 0.00 0.00 175.10 175.38 2yro s ARG 147 N -1.03 0.46 -0.17 2.72 0.52 -1.14 -5.04 118.95 115.26 2yro s ARG 147 Ca 0.14 -0.62 -0.10 0.00 -0.52 0.00 0.00 55.73 54.63 2yro s ARG 147 Cb -0.11 -0.23 0.06 0.00 0.52 0.00 0.00 34.95 35.19 2yro s ARG 147 CO 0.04 0.04 0.41 0.45 0.02 0.00 0.00 175.30 176.26 2yro s SER 148 N -1.29 -0.52 -0.20 0.23 0.15 -1.26 -0.85 113.70 109.97 2yro s SER 148 Ca -0.09 0.90 -0.03 0.00 0.70 0.00 0.00 55.95 57.43 2yro s SER 148 Cb -0.08 0.78 0.06 0.00 -1.71 0.00 0.00 66.02 65.07 2yro s SER 148 CO 0.00 -0.19 0.04 -1.66 1.20 0.00 0.00 173.24 172.63 2yro s TRP 149 N 1.33 1.07 -1.16 3.44 -2.14 -0.93 -4.98 118.94 115.58 2yro s TRP 149 Ca -0.09 -0.91 -0.21 0.00 2.66 0.00 0.00 56.10 57.55 2yro s TRP 149 Cb -0.08 -1.06 0.04 0.00 -3.10 0.00 0.00 33.47 29.27 2yro s TRP 149 CO -0.12 -0.63 1.68 -1.54 -2.66 0.00 0.00 176.95 173.68 2yro s SER 150 N 1.84 6.40 -0.30 -2.66 1.04 -1.26 -3.56 113.70 115.21 2yro s SER 150 Ca -0.01 -1.89 -0.12 0.00 0.48 0.00 0.00 55.95 54.42 2yro s SER 150 Cb -0.17 -2.58 0.16 0.00 0.10 0.00 0.00 66.02 63.53 2yro s SER 150 CO -0.09 -1.61 0.83 -0.83 0.98 0.00 0.00 173.24 172.52 2yro s GLY 151 N 5.01 -0.48 0.28 7.32 0.00 -1.24 -4.95 107.32 113.26 2yro s GLY 151 Ca 0.54 2.65 -0.29 0.00 0.00 0.00 0.00 44.72 47.62 2yro s GLY 151 CO 0.02 3.24 1.25 2.56 0.00 0.00 0.00 173.10 180.16 2yro s PRO 152 N 2.69 4.45 0.00 2.90 0.04 -1.26 -4.97 135.00 138.85 2yro s PRO 152 Ca -0.01 2.05 -0.25 0.00 0.04 0.00 0.00 61.00 62.83 2yro s PRO 152 Cb -0.09 -3.14 -0.18 0.00 0.04 0.00 0.00 34.50 31.13 2yro s PRO 152 CO -0.18 -0.09 1.29 1.03 0.04 0.00 0.00 177.00 179.09 2yro h SER 153 N 4.02 -0.14 0.21 6.66 0.87 -1.99 -3.30 113.55 119.88 2yro h SER 153 Ca -0.47 -0.31 -0.01 0.00 -1.23 0.00 0.00 61.79 59.77 2yro h SER 153 Cb 1.22 0.04 0.00 0.00 -0.44 0.00 0.00 62.40 63.22 2yro h SER 153 CO 0.69 0.25 -0.10 -1.28 -0.53 0.00 0.00 176.83 175.86 2yro h SER 154 N -0.55 -0.24 0.00 6.23 0.87 -2.06 -3.58 113.55 114.22 2yro h SER 154 Ca -0.02 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.36 2yro h SER 154 Cb 0.44 0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.46 2yro h SER 154 CO 0.03 0.06 0.00 0.61 -0.53 0.00 0.00 176.83 177.00