#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 -0.77 0.30 1.61 0.01 -1.26 -5.18 113.70 108.41 2yro s SER 2 Ca 0.00 1.35 -0.10 0.00 1.31 0.00 0.00 55.95 58.51 2yro s SER 2 Cb 0.00 1.28 0.01 0.00 0.21 0.00 0.00 66.02 67.52 2yro s SER 2 CO 0.00 -0.23 0.52 -0.94 0.41 0.00 0.00 173.24 173.01 2yro s SER 3 N 1.03 0.28 0.00 2.44 1.04 -1.26 -5.01 113.70 112.22 2yro s SER 3 Ca -0.06 -1.16 0.00 0.00 0.48 0.00 0.00 55.95 55.21 2yro s SER 3 Cb -0.05 0.65 0.00 0.00 0.10 0.00 0.00 66.02 66.72 2yro s SER 3 CO -0.10 -1.28 0.00 0.61 0.98 0.00 0.00 173.24 173.45 2yro n GLY 4 N -0.47 5.15 3.29 7.32 0.00 -1.26 -5.13 105.19 114.09 2yro n GLY 4 Ca -0.02 -1.11 -0.13 0.00 0.00 0.00 0.00 46.02 44.75 2yro n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2yro s SER 5 N 1.12 -0.37 -0.19 1.61 0.15 -1.26 -5.06 113.70 109.70 2yro s SER 5 Ca 0.00 0.62 -0.20 0.00 0.70 0.00 0.00 55.95 57.08 2yro s SER 5 Cb 0.00 0.68 -0.17 0.00 -1.71 0.00 0.00 66.02 64.82 2yro s SER 5 CO 0.00 -0.24 0.19 -1.28 1.20 0.00 0.00 173.24 173.11 2yro h SER 6 N 4.97 0.00 -1.41 5.45 0.87 -1.90 -3.51 113.55 118.02 2yro h SER 6 Ca -0.28 -0.45 0.00 0.00 -1.23 0.00 0.00 61.79 59.83 2yro h SER 6 Cb 1.18 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.14 2yro h SER 6 CO 0.30 1.33 0.00 0.61 -0.53 0.00 0.00 176.83 178.54 2yro n GLY 7 N 1.48 0.70 2.30 5.77 0.00 -1.26 -5.13 105.19 109.05 2yro n GLY 7 Ca -0.26 -1.78 -0.20 0.00 0.00 0.00 0.00 46.02 43.78 2yro n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yro n PRO 8 N 0.00 -2.43 -0.51 1.61 -0.04 -1.26 -4.96 135.00 127.41 2yro n PRO 8 Ca 0.00 -1.15 -0.25 0.00 -0.04 0.00 0.00 63.50 62.06 2yro n PRO 8 Cb 0.00 -1.08 0.19 0.00 -0.04 0.00 0.00 33.50 32.57 2yro n PRO 8 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2yro n LYS 9 N -3.71 -2.63 -4.52 0.54 4.01 -1.26 -5.04 118.16 105.56 2yro n LYS 9 Ca 0.10 -0.77 -0.24 0.00 -0.51 0.00 0.00 58.31 56.89 2yro n LYS 9 Cb 0.39 -1.68 -0.11 0.00 -0.51 0.00 0.00 35.03 33.12 2yro n LYS 9 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2yro s SER 10 N -2.18 3.00 -0.01 4.39 0.15 -1.26 -5.07 113.70 112.72 2yro s SER 10 Ca 0.50 -1.36 -0.13 0.00 0.70 0.00 0.00 55.95 55.66 2yro s SER 10 Cb -0.10 -0.22 -0.33 0.00 -1.71 0.00 0.00 66.02 63.66 2yro s SER 10 CO 0.50 -0.53 0.82 1.23 1.20 0.00 0.00 173.24 176.46 2yro h GLY 11 N 1.99 0.54 -2.85 9.45 0.00 -2.04 -3.47 103.07 106.67 2yro h GLY 11 Ca -0.42 -1.37 -0.45 0.00 0.00 0.00 0.00 47.33 45.09 2yro h GLY 11 CO 0.74 1.20 -1.03 -1.30 0.00 0.00 0.00 176.54 176.15 2yro n THR 12 N -3.66 0.00 -0.78 4.70 -2.24 -1.26 -4.93 114.28 106.12 2yro n THR 12 Ca -0.21 -0.38 -0.16 0.00 -2.27 0.00 0.00 64.05 61.03 2yro n THR 12 Cb 1.09 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 69.45 2yro n THR 12 CO 0.00 0.00 0.00 -0.81 -0.57 0.00 0.00 175.07 173.69 2yro n PRO 13 N 1.36 -2.15 -4.38 -0.78 -0.04 -1.26 -4.99 135.00 122.76 2yro n PRO 13 Ca 0.04 -0.92 -0.23 0.00 -0.04 0.00 0.00 63.50 62.35 2yro n PRO 13 Cb 0.38 -0.86 -0.13 0.00 -0.04 0.00 0.00 33.50 32.85 2yro n PRO 13 CO 0.00 0.00 0.00 1.14 -0.04 0.00 0.00 175.50 176.60 2yro s GLN 14 N -4.30 1.14 0.53 0.54 -2.07 -1.19 -4.15 119.66 110.16 2yro s GLN 14 Ca 0.37 -1.03 0.04 0.00 -1.82 0.00 0.00 55.36 52.93 2yro s GLN 14 Cb -0.04 -1.30 0.02 0.00 -1.09 0.00 0.00 33.01 30.60 2yro s GLN 14 CO 0.29 0.31 0.29 -0.51 -1.32 0.00 0.00 175.29 174.35 2yro s LEU 15 N -1.59 2.59 0.06 2.60 1.43 -1.08 -4.95 118.68 117.74 2yro s LEU 15 Ca 0.05 -1.36 0.07 0.00 -1.03 0.00 0.00 54.13 51.87 2yro s LEU 15 Cb -0.09 -1.07 -0.03 0.00 0.03 0.00 0.00 46.19 45.03 2yro s LEU 15 CO 0.03 -1.03 -0.20 -0.44 0.23 0.00 0.00 176.35 174.94 2yro s SER 16 N -4.17 2.39 0.10 2.29 0.01 -1.26 -4.45 113.70 108.61 2yro s SER 16 Ca 0.26 -0.57 0.02 0.00 1.31 0.00 0.00 55.95 56.97 2yro s SER 16 Cb -0.01 -0.17 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 2yro s SER 16 CO 0.16 0.11 0.20 -0.76 0.41 0.00 0.00 173.24 173.36 2yro s LEU 17 N -1.43 4.19 0.26 2.44 1.43 -1.26 -3.34 118.68 120.97 2yro s LEU 17 Ca 0.06 0.14 -0.30 0.00 -1.03 0.00 0.00 54.13 53.01 2yro s LEU 17 Cb -0.09 -2.79 -0.09 0.00 0.03 0.00 0.00 46.19 43.24 2yro s LEU 17 CO 0.03 0.12 1.26 -2.16 0.23 0.00 0.00 176.35 175.83 2yro s PRO 18 N -2.78 4.43 -0.38 1.29 0.04 -1.26 -5.07 135.00 131.27 2yro s PRO 18 Ca 0.33 2.05 -0.20 0.00 0.04 0.00 0.00 61.00 63.23 2yro s PRO 18 Cb -0.12 -3.15 0.01 0.00 0.04 0.00 0.00 34.50 31.27 2yro s PRO 18 CO 0.27 -0.13 0.59 0.12 0.04 0.00 0.00 177.00 177.88 2yro s PHE 19 N -0.56 3.14 -0.34 0.56 5.36 0.15 -4.96 117.98 121.34 2yro s PHE 19 Ca 0.52 0.16 0.01 0.00 -0.96 0.00 0.00 56.93 56.65 2yro s PHE 19 Cb -0.36 -3.11 0.10 0.00 -0.34 0.00 0.00 43.02 39.31 2yro s PHE 19 CO 0.44 -0.66 0.10 0.00 -1.46 0.00 0.00 175.22 173.64 2yro s ALA 20 N 2.60 2.09 0.20 11.12 0.00 -1.26 -0.15 121.76 136.36 2yro s ALA 20 Ca 0.21 -2.10 0.04 0.00 0.00 0.00 0.00 51.96 50.11 2yro s ALA 20 Cb -0.15 -1.78 -0.05 0.00 0.00 0.00 0.00 23.12 21.14 2yro s ALA 20 CO 0.15 -1.73 -0.03 0.00 0.00 0.00 0.00 175.76 174.16 2yro s ALA 21 N 1.20 1.68 0.21 0.00 0.00 -1.04 -5.00 121.76 118.80 2yro s ALA 21 Ca 0.11 -1.68 0.11 0.00 0.00 0.00 0.00 51.96 50.51 2yro s ALA 21 Cb -0.19 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.27 2yro s ALA 21 CO -0.16 -0.22 -0.23 1.03 0.00 0.00 0.00 175.76 176.19 2yro s ARG 22 N -3.84 1.54 -0.15 0.00 0.52 -1.26 -0.18 118.95 115.58 2yro s ARG 22 Ca 0.25 -1.58 -0.14 0.00 -0.52 0.00 0.00 55.73 53.75 2yro s ARG 22 Cb 0.05 -1.78 -0.05 0.00 0.52 0.00 0.00 34.95 33.69 2yro s ARG 22 CO 0.06 0.37 0.30 -0.51 0.02 0.00 0.00 175.30 175.55 2yro s LEU 23 N -2.88 4.27 0.36 2.53 1.43 0.74 -4.96 118.68 120.17 2yro s LEU 23 Ca 0.23 0.55 0.17 0.00 -1.03 0.00 0.00 54.13 54.04 2yro s LEU 23 Cb -0.07 -2.39 1.22 0.00 0.03 0.00 0.00 46.19 44.97 2yro s LEU 23 CO 0.11 0.12 1.58 -1.13 0.23 0.00 0.00 176.35 177.26 2yro h ASN 24 N 6.47 0.16 -3.71 2.29 -1.24 -2.00 -3.39 115.58 114.15 2yro h ASN 24 Ca -0.42 0.26 -0.52 0.00 0.71 0.00 0.00 56.30 56.33 2yro h ASN 24 Cb 1.17 0.31 -0.19 0.00 0.73 0.00 0.00 38.32 40.35 2yro h ASN 24 CO 0.74 -0.41 -0.79 0.42 -1.29 0.00 0.00 177.43 176.10 2yro s THR 25 N -5.63 1.76 -0.11 -3.57 -4.23 -1.26 -5.11 115.64 97.49 2yro s THR 25 Ca -0.10 -1.83 -0.29 0.00 -1.18 0.00 0.00 61.69 58.29 2yro s THR 25 Cb 0.33 -1.76 -0.04 0.00 1.34 0.00 0.00 72.50 72.37 2yro s THR 25 CO 0.78 -0.28 1.53 -2.16 -0.54 0.00 0.00 174.62 173.95 2yro s PRO 26 N -2.62 4.16 1.14 3.99 0.04 -1.26 -4.86 135.00 135.58 2yro s PRO 26 Ca 0.13 1.97 -0.19 0.00 0.04 0.00 0.00 61.00 62.95 2yro s PRO 26 Cb -0.06 -3.92 0.28 0.00 0.04 0.00 0.00 34.50 30.83 2yro s PRO 26 CO 0.06 -0.85 1.16 0.00 0.04 0.00 0.00 177.00 177.41 2yro n MET 27 N 7.03 -2.53 0.00 4.56 0.00 -0.72 -4.85 117.12 120.60 2yro n MET 27 Ca 0.16 -1.83 0.00 0.00 0.00 0.00 0.00 57.70 56.03 2yro n MET 27 Cb 0.44 -1.54 0.00 0.00 0.00 0.00 0.00 33.22 32.12 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 -4.35 -0.69 3.77 3.17 0.00 -1.22 -3.52 105.19 102.34 2yro n GLY 28 Ca 0.16 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.05 4.45 0.00 1.61 0.04 -1.26 -2.93 135.00 135.86 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 -3.10 0.00 0.00 0.04 0.00 0.00 34.50 31.44 2yro s PRO 29 CO 0.00 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.40 2yro n GLY 30 N 0.93 2.85 3.73 0.56 0.00 0.70 -4.97 105.19 108.99 2yro n GLY 30 Ca -0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 2yro n GLY 30 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2yro s ARG 31 N -0.06 4.52 -0.36 1.61 3.00 -1.15 -4.66 118.95 121.85 2yro s ARG 31 Ca 0.00 1.77 -0.04 0.00 0.00 0.00 0.00 55.73 57.46 2yro s ARG 31 Cb 0.00 -3.29 0.07 0.00 0.00 0.00 0.00 34.95 31.73 2yro s ARG 31 CO 0.00 -0.06 0.12 0.99 0.00 0.00 0.00 175.30 176.34 2yro s THR 32 N 0.18 3.45 -0.31 0.02 2.01 0.16 -3.55 115.64 117.60 2yro s THR 32 Ca 0.53 -1.49 -0.08 0.00 0.31 0.00 0.00 61.69 60.96 2yro s THR 32 Cb -0.30 -3.10 0.01 0.00 0.01 0.00 0.00 72.50 69.13 2yro s THR 32 CO 0.34 -0.34 0.11 -0.69 -0.69 0.00 0.00 174.62 173.35 2yro s VAL 33 N 1.29 4.08 0.21 3.82 1.01 -0.64 -0.16 120.40 130.02 2yro s VAL 33 Ca 0.00 -0.76 0.06 0.00 0.00 0.00 0.00 61.98 61.28 2yro s VAL 33 Cb -0.21 -3.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.97 2yro s VAL 33 CO -0.00 -0.01 0.18 0.68 0.00 0.00 0.00 175.10 175.94 2yro s VAL 34 N 1.50 4.52 -0.26 2.92 -7.23 0.83 -0.99 120.40 121.69 2yro s VAL 34 Ca 0.02 -1.22 -0.01 0.00 -1.81 0.00 0.00 61.98 58.96 2yro s VAL 34 Cb -0.18 -3.38 0.08 0.00 0.56 0.00 0.00 36.38 33.46 2yro s VAL 34 CO 0.03 -0.23 0.06 -0.69 -0.31 0.00 0.00 175.10 173.96 2yro s VAL 35 N -1.94 0.81 -0.04 1.32 1.01 0.00 -2.59 120.40 118.98 2yro s VAL 35 Ca 0.32 -1.06 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2yro s VAL 35 Cb -0.09 -1.44 -0.05 0.00 0.00 0.00 0.00 36.38 34.80 2yro s VAL 35 CO 0.24 -0.44 0.48 -0.54 0.00 0.00 0.00 175.10 174.85 2yro s LYS 36 N 1.69 4.18 0.00 2.72 1.02 -1.09 -2.76 119.74 125.49 2yro s LYS 36 Ca 0.04 0.52 0.00 0.00 0.02 0.00 0.00 55.97 56.55 2yro s LYS 36 Cb -0.17 -3.32 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 2yro s LYS 36 CO -0.17 0.43 0.00 0.41 -0.92 0.00 0.00 175.35 175.10 2yro n GLY 37 N 2.45 1.52 3.30 -3.33 0.00 -1.23 -2.49 105.19 105.41 2yro n GLY 37 Ca -0.10 -0.86 -0.12 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.16 0.44 0.40 1.61 2.02 -0.36 -3.47 118.70 118.19 2yro s GLU 38 Ca 0.00 0.70 -0.15 0.00 0.02 0.00 0.00 54.97 55.54 2yro s GLU 38 Cb 0.00 0.10 -0.08 0.00 0.10 0.00 0.00 34.13 34.24 2yro s GLU 38 CO 0.00 -0.11 0.84 0.08 0.02 0.00 0.00 175.26 176.08 2yro s VAL 39 N 0.86 4.62 0.26 2.63 1.01 -0.58 -0.34 120.40 128.87 2yro s VAL 39 Ca -0.05 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.79 2yro s VAL 39 Cb -0.06 -3.66 -0.08 0.00 0.00 0.00 0.00 36.38 32.58 2yro s VAL 39 CO -0.07 -0.40 0.70 0.20 0.00 0.00 0.00 175.10 175.54 2yro s ASN 40 N -2.64 6.88 0.38 3.32 0.01 -1.26 -0.90 114.94 120.73 2yro s ASN 40 Ca 0.56 1.29 0.11 0.00 -0.71 0.00 0.00 52.86 54.11 2yro s ASN 40 Cb -0.10 -2.37 0.89 0.00 0.41 0.00 0.00 41.25 40.07 2yro s ASN 40 CO 0.23 -0.07 1.88 0.00 -1.51 0.00 0.00 177.10 177.63 2yro h ALA 41 N 2.86 1.92 -0.49 0.60 0.00 -1.92 -1.05 119.26 121.17 2yro h ALA 41 Ca -0.48 0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.12 2yro h ALA 41 Cb 1.18 -0.10 -0.21 0.00 0.00 0.00 0.00 17.79 18.66 2yro h ALA 41 CO 0.66 -0.15 -0.24 0.27 0.00 0.00 0.00 179.25 179.78 2yro n ASN 42 N -4.54 3.64 -4.71 0.00 0.23 -1.26 -4.70 115.26 103.93 2yro n ASN 42 Ca 0.17 -3.80 -0.42 0.00 -0.53 0.00 0.00 54.58 50.00 2yro n ASN 42 Cb 0.49 -0.58 -0.03 0.00 -2.08 0.00 0.00 39.78 37.59 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2yro s ALA 43 N -3.42 3.20 -0.03 -2.53 0.00 -0.42 -4.98 121.76 113.58 2yro s ALA 43 Ca 0.48 0.53 -0.18 0.00 0.00 0.00 0.00 51.96 52.79 2yro s ALA 43 Cb 0.42 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 20.07 2yro s ALA 43 CO -0.00 -0.29 0.76 -0.22 0.00 0.00 0.00 175.76 176.01 2yro h LYS 44 N 6.84 -0.52 -1.32 0.00 3.64 -1.90 -3.47 116.57 119.84 2yro h LYS 44 Ca -0.40 0.04 0.24 0.00 -1.27 0.00 0.00 60.65 59.26 2yro h LYS 44 Cb 1.21 0.12 -0.22 0.00 -0.41 0.00 0.00 32.23 32.93 2yro h LYS 44 CO 0.77 -0.28 0.84 -1.54 -2.27 0.00 0.00 179.45 176.96 2yro s SER 45 N -4.96 -0.12 0.49 4.20 1.04 -1.26 -3.54 113.70 109.56 2yro s SER 45 Ca -0.10 0.06 0.02 0.00 0.48 0.00 0.00 55.95 56.41 2yro s SER 45 Cb 0.01 0.11 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 2yro s SER 45 CO 0.31 -0.16 0.01 0.72 0.98 0.00 0.00 173.24 175.10 2yro s PHE 46 N -1.82 1.97 -0.16 5.02 -0.71 -1.26 -2.26 117.98 118.76 2yro s PHE 46 Ca 0.08 -0.91 -0.28 0.00 -1.04 0.00 0.00 56.93 54.78 2yro s PHE 46 Cb -0.01 -1.64 0.07 0.00 -1.21 0.00 0.00 43.02 40.23 2yro s PHE 46 CO -0.05 0.26 0.73 0.54 -1.34 0.00 0.00 175.22 175.36 2yro s ASN 47 N -3.86 -0.68 -0.22 1.98 4.22 -0.45 -3.25 114.94 112.68 2yro s ASN 47 Ca 0.11 1.02 0.01 0.00 -2.14 0.00 0.00 52.86 51.85 2yro s ASN 47 Cb 0.03 0.93 0.05 0.00 1.28 0.00 0.00 41.25 43.54 2yro s ASN 47 CO 0.06 -0.43 -0.08 -0.69 -2.04 0.00 0.00 177.10 173.92 2yro s VAL 48 N -0.47 1.64 -0.43 3.54 1.01 -1.01 -1.71 120.40 122.96 2yro s VAL 48 Ca -0.05 -1.19 -0.15 0.00 0.00 0.00 0.00 61.98 60.58 2yro s VAL 48 Cb -0.02 -1.82 0.04 0.00 0.00 0.00 0.00 36.38 34.58 2yro s VAL 48 CO 0.05 0.00 0.34 -1.81 0.00 0.00 0.00 175.10 173.68 2yro s ASP 49 N 1.36 6.12 -0.43 3.32 1.01 -0.26 -3.10 116.67 124.70 2yro s ASP 49 Ca -0.05 -1.06 -0.14 0.00 0.71 0.00 0.00 52.55 52.01 2yro s ASP 49 Cb -0.18 -2.17 0.05 0.00 1.01 0.00 0.00 42.92 41.63 2yro s ASP 49 CO -0.07 -0.52 0.33 -0.22 0.21 0.00 0.00 175.17 174.89 2yro s LEU 50 N 1.67 5.30 0.46 1.23 2.96 -0.86 -1.28 118.68 128.15 2yro s LEU 50 Ca 0.05 -1.18 0.03 0.00 -0.22 0.00 0.00 54.13 52.80 2yro s LEU 50 Cb -0.21 -2.13 -0.03 0.00 0.50 0.00 0.00 46.19 44.32 2yro s LEU 50 CO 0.09 -0.54 0.03 -1.48 -1.32 0.00 0.00 176.35 173.12 2yro s LEU 51 N 1.61 2.36 -0.07 -0.68 0.05 -1.24 -1.00 118.68 119.71 2yro s LEU 51 Ca 0.04 -1.58 -0.00 0.00 0.05 0.00 0.00 54.13 52.64 2yro s LEU 51 Cb -0.22 -0.63 -0.03 0.00 -2.05 0.00 0.00 46.19 43.26 2yro s LEU 51 CO 0.07 -0.76 -0.04 0.00 -0.55 0.00 0.00 176.35 175.07 2yro s ALA 52 N -2.93 3.11 -0.92 1.48 0.00 -0.94 -3.10 121.76 118.45 2yro s ALA 52 Ca 0.17 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2yro s ALA 52 Cb 0.04 -1.33 0.00 0.00 0.00 0.00 0.00 23.12 21.83 2yro s ALA 52 CO 0.09 0.58 0.52 0.41 0.00 0.00 0.00 175.76 177.36 2yro n GLY 53 N 2.18 1.48 0.13 0.00 0.00 -1.26 -2.16 105.19 105.56 2yro n GLY 53 Ca -0.18 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.75 2yro n GLY 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2yro n LYS 54 N 0.06 0.51 -0.55 1.61 4.81 -1.26 -4.75 118.16 118.58 2yro n LYS 54 Ca 0.00 0.20 0.07 0.00 -0.87 0.00 0.00 58.31 57.71 2yro n LYS 54 Cb 0.26 -1.39 0.17 0.00 0.02 0.00 0.00 35.03 34.09 2yro n LYS 54 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2yro n SER 55 N -4.41 1.75 -4.22 3.14 2.88 -1.25 -4.98 113.62 106.53 2yro n SER 55 Ca -0.15 -3.53 -0.31 0.00 -1.33 0.00 0.00 58.87 53.56 2yro n SER 55 Cb 0.51 -0.48 -0.09 0.00 -0.75 0.00 0.00 64.21 63.40 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2yro n LYS 56 N -1.03 -0.90 -4.29 -1.46 4.76 -0.92 -4.90 118.16 109.42 2yro n LYS 56 Ca 0.17 0.09 -0.34 0.00 -2.87 0.00 0.00 58.31 55.36 2yro n LYS 56 Cb 0.72 -3.53 -0.14 0.00 -1.84 0.00 0.00 35.03 30.24 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 -4.07 4.11 -0.19 4.39 1.11 -1.25 -4.90 116.67 115.87 2yro s ASP 57 Ca 0.14 -0.37 -0.29 0.00 0.18 0.00 0.00 52.55 52.21 2yro s ASP 57 Cb -0.08 -1.67 -0.01 0.00 1.07 0.00 0.00 42.92 42.22 2yro s ASP 57 CO 0.94 0.06 1.30 -0.63 1.18 0.00 0.00 175.17 178.02 2yro s ILE 58 N 0.96 4.21 -0.05 0.77 1.01 -0.91 -2.23 121.20 124.96 2yro s ILE 58 Ca -0.01 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 61.86 2yro s ILE 58 Cb -0.15 -4.00 -0.31 0.00 0.01 0.00 0.00 42.46 38.01 2yro s ILE 58 CO -0.00 -0.21 0.88 0.00 0.00 0.00 0.00 174.94 175.60 2yro h ALA 59 N 8.57 -0.08 -3.73 9.38 0.00 -1.34 -3.22 119.26 128.85 2yro h ALA 59 Ca -0.27 -0.74 -0.30 0.00 0.00 0.00 0.00 54.91 53.60 2yro h ALA 59 Cb 1.11 0.13 -0.30 0.00 0.00 0.00 0.00 17.79 18.73 2yro h ALA 59 CO 0.98 0.43 -0.74 -1.17 0.00 0.00 0.00 179.25 178.75 2yro s LEU 60 N -7.84 1.75 -0.35 0.00 2.96 -1.13 -4.34 118.68 109.73 2yro s LEU 60 Ca -0.14 -0.05 -0.00 0.00 -0.22 0.00 0.00 54.13 53.72 2yro s LEU 60 Cb 0.01 -0.17 0.11 0.00 0.50 0.00 0.00 46.19 46.64 2yro s LEU 60 CO 0.83 -0.01 0.15 -2.28 -1.32 0.00 0.00 176.35 173.73 2yro s HIS 61 N 0.26 1.51 -0.42 5.38 5.65 0.24 -2.02 115.29 125.89 2yro s HIS 61 Ca -0.02 -1.81 -0.10 0.00 0.25 0.00 0.00 55.06 53.38 2yro s HIS 61 Cb -0.05 -1.57 0.08 0.00 -1.18 0.00 0.00 32.58 29.85 2yro s HIS 61 CO -0.01 -0.84 0.27 -0.51 -0.65 0.00 0.00 174.74 173.00 2yro s LEU 62 N 1.28 5.18 -0.39 8.88 1.43 -1.18 -1.91 118.68 131.97 2yro s LEU 62 Ca 0.13 -1.47 0.01 0.00 -1.03 0.00 0.00 54.13 51.76 2yro s LEU 62 Cb -0.20 -2.01 0.11 0.00 0.03 0.00 0.00 46.19 44.13 2yro s LEU 62 CO -0.16 -0.54 0.15 0.21 0.23 0.00 0.00 176.35 176.23 2yro s ASN 63 N 2.14 4.98 1.14 2.29 3.04 -0.44 -2.41 114.94 125.68 2yro s ASN 63 Ca 0.03 -2.19 -0.17 0.00 0.04 0.00 0.00 52.86 50.57 2yro s ASN 63 Cb -0.23 -1.73 0.26 0.00 -1.54 0.00 0.00 41.25 38.01 2yro s ASN 63 CO 0.03 -0.44 1.11 -2.16 -3.04 0.00 0.00 177.10 172.59 2yro s PRO 64 N 0.89 -0.73 -0.19 0.43 0.04 -1.20 -2.11 135.00 132.13 2yro s PRO 64 Ca 0.10 0.11 -0.08 0.00 0.04 0.00 0.00 61.00 61.17 2yro s PRO 64 Cb -0.21 -1.64 0.08 0.00 0.04 0.00 0.00 34.50 32.77 2yro s PRO 64 CO -0.06 -3.42 0.43 1.03 0.04 0.00 0.00 177.00 175.03 2yro s ARG 65 N -5.27 0.38 -0.08 4.56 0.52 0.67 -4.35 118.95 115.38 2yro s ARG 65 Ca 0.69 0.94 0.05 0.00 -0.52 0.00 0.00 55.73 56.90 2yro s ARG 65 Cb -0.13 0.18 -0.24 0.00 0.52 0.00 0.00 34.95 35.28 2yro s ARG 65 CO 0.57 -0.20 0.54 1.28 0.02 0.00 0.00 175.30 177.50 2yro n LEU 66 N 4.85 1.57 -0.37 2.53 4.77 -1.23 -0.96 117.00 128.16 2yro n LEU 66 Ca -0.16 0.33 0.02 0.00 -0.03 0.00 0.00 56.01 56.17 2yro n LEU 66 Cb 0.52 -0.34 0.08 0.00 -2.33 0.00 0.00 43.42 41.35 2yro n LEU 66 CO 0.03 0.58 0.61 -3.20 -1.33 0.00 0.00 177.39 174.08 2yro n ASN 67 N -3.22 -0.53 0.00 -1.43 5.15 -1.26 -1.89 115.26 112.08 2yro n ASN 67 Ca -0.23 1.73 0.00 0.00 -0.60 0.00 0.00 54.58 55.48 2yro n ASN 67 Cb 1.05 -0.45 0.00 0.00 -0.53 0.00 0.00 39.78 39.85 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 1.40 0.00 0.00 177.26 180.96 2yro n ILE 68 N -5.53 0.65 -3.44 -1.44 -0.00 -1.26 -5.00 119.36 103.34 2yro n ILE 68 Ca 0.13 -0.80 -0.19 0.00 -0.00 0.00 0.00 62.75 61.88 2yro n ILE 68 Cb 0.44 0.69 0.08 0.00 -0.00 0.00 0.00 39.64 40.85 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 -0.33 -6.89 -4.62 6.28 5.02 -0.62 -5.00 118.16 112.00 2yro n LYS 69 Ca 0.00 0.79 -0.34 0.00 -2.02 0.00 0.00 58.31 56.74 2yro n LYS 69 Cb 0.18 -5.66 -0.12 0.00 -0.02 0.00 0.00 35.03 29.41 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 -3.32 2.95 -0.35 7.82 0.00 -0.13 -4.74 121.76 124.00 2yro s ALA 70 Ca 0.29 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.26 2yro s ALA 70 Cb -0.13 -1.26 0.01 0.00 0.00 0.00 0.00 23.12 21.74 2yro s ALA 70 CO 0.68 0.51 0.19 0.12 0.00 0.00 0.00 175.76 177.27 2yro s PHE 71 N -0.61 3.21 -0.17 0.00 2.19 -1.26 -0.23 117.98 121.11 2yro s PHE 71 Ca 0.09 -0.68 -0.18 0.00 0.33 0.00 0.00 56.93 56.49 2yro s PHE 71 Cb -0.12 -2.42 -0.04 0.00 -1.31 0.00 0.00 43.02 39.14 2yro s PHE 71 CO 0.02 -0.53 0.47 0.08 1.83 0.00 0.00 175.22 177.09 2yro s VAL 72 N 1.61 5.16 -0.07 3.12 1.01 -0.89 -4.49 120.40 125.84 2yro s VAL 72 Ca 0.04 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.94 2yro s VAL 72 Cb -0.18 -3.80 0.01 0.00 0.00 0.00 0.00 36.38 32.40 2yro s VAL 72 CO 0.07 0.25 -0.16 -0.13 0.00 0.00 0.00 175.10 175.13 2yro s ARG 73 N 1.19 2.06 0.07 2.72 0.52 -1.25 -1.33 118.95 122.92 2yro s ARG 73 Ca 0.23 -0.55 -0.12 0.00 -0.52 0.00 0.00 55.73 54.78 2yro s ARG 73 Cb -0.15 -1.65 0.04 0.00 0.52 0.00 0.00 34.95 33.71 2yro s ARG 73 CO 0.09 0.08 0.55 -1.71 0.02 0.00 0.00 175.30 174.33 2yro n ASN 74 N 3.69 -0.82 -3.67 0.23 5.15 -0.80 -3.74 115.26 115.31 2yro n ASN 74 Ca -0.22 -1.39 -0.12 0.00 -0.60 0.00 0.00 54.58 52.26 2yro n ASN 74 Cb 0.52 1.32 -0.06 0.00 -0.53 0.00 0.00 39.78 41.03 2yro n ASN 74 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2yro s SER 75 N -2.28 -0.24 -0.31 1.20 0.15 -1.26 -0.59 113.70 110.37 2yro s SER 75 Ca 0.12 -0.12 0.04 0.00 0.70 0.00 0.00 55.95 56.69 2yro s SER 75 Cb -0.01 0.43 0.08 0.00 -1.71 0.00 0.00 66.02 64.81 2yro s SER 75 CO 0.02 -0.71 -0.02 0.12 1.20 0.00 0.00 173.24 173.86 2yro s PHE 76 N -2.84 3.54 0.07 3.44 5.36 -1.21 -2.27 117.98 124.07 2yro s PHE 76 Ca -0.03 -2.71 0.09 0.00 -0.96 0.00 0.00 56.93 53.32 2yro s PHE 76 Cb -0.00 -2.50 -0.03 0.00 -0.34 0.00 0.00 43.02 40.15 2yro s PHE 76 CO -0.05 -0.92 -0.24 -0.51 -1.46 0.00 0.00 175.22 172.04 2yro s LEU 77 N 0.99 2.22 -1.64 6.12 1.43 -0.62 -2.15 118.68 125.04 2yro s LEU 77 Ca 0.03 -0.62 -0.12 0.00 -1.03 0.00 0.00 54.13 52.38 2yro s LEU 77 Cb -0.19 -1.09 0.11 0.00 0.03 0.00 0.00 46.19 45.04 2yro s LEU 77 CO -0.07 0.17 0.58 0.00 0.23 0.00 0.00 176.35 177.26 2yro n GLN 78 N 1.49 -2.63 -3.88 1.70 6.02 -1.26 0.49 117.38 119.31 2yro n GLN 78 Ca -0.18 0.32 -0.30 0.00 -0.01 0.00 0.00 57.00 56.83 2yro n GLN 78 Cb 0.53 -4.73 0.02 0.00 1.02 0.00 0.00 30.24 27.08 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 -4.38 -5.42 -3.75 -1.09 1.02 -1.26 -4.96 120.64 100.80 2yro n GLU 79 Ca -0.06 0.60 -0.13 0.00 -0.02 0.00 0.00 57.16 57.54 2yro n GLU 79 Cb 0.56 -5.49 -0.14 0.00 -0.02 0.00 0.00 31.44 26.35 2yro n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yro s SER 80 N -3.26 -0.13 -0.01 1.62 0.01 0.18 -5.14 113.70 106.97 2yro s SER 80 Ca 0.65 0.32 -0.23 0.00 1.31 0.00 0.00 55.95 58.01 2yro s SER 80 Cb -0.33 0.21 -0.05 0.00 0.21 0.00 0.00 66.02 66.07 2yro s SER 80 CO 0.81 -0.14 0.67 0.26 0.41 0.00 0.00 173.24 175.25 2yro s TRP 81 N 1.11 3.66 0.00 2.43 0.52 -1.26 -1.59 118.94 123.81 2yro s TRP 81 Ca -0.09 1.28 0.00 0.00 0.02 0.00 0.00 56.10 57.32 2yro s TRP 81 Cb -0.11 -2.73 0.00 0.00 -1.15 0.00 0.00 33.47 29.48 2yro s TRP 81 CO -0.06 0.24 0.00 0.41 0.02 0.00 0.00 176.95 177.56 2yro n GLY 82 N 2.67 -0.90 3.36 0.98 0.00 -0.96 -5.01 105.19 105.33 2yro n GLY 82 Ca -0.04 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 44.86 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 3.38 -0.16 1.61 2.12 -1.26 -4.99 118.70 119.40 2yro s GLU 83 Ca 0.00 -0.68 -0.16 0.00 0.36 0.00 0.00 54.97 54.49 2yro s GLU 83 Cb 0.00 -2.69 -0.04 0.00 0.26 0.00 0.00 34.13 31.66 2yro s GLU 83 CO 0.00 0.15 0.42 -1.21 -0.54 0.00 0.00 175.26 174.07 2yro s GLU 84 N 0.52 4.25 0.38 4.30 2.02 -1.26 -4.68 118.70 124.23 2yro s GLU 84 Ca -0.08 0.29 0.05 0.00 0.02 0.00 0.00 54.97 55.24 2yro s GLU 84 Cb -0.16 -3.48 -0.06 0.00 0.10 0.00 0.00 34.13 30.53 2yro s GLU 84 CO 0.04 0.08 0.04 -1.21 0.02 0.00 0.00 175.26 174.23 2yro s GLU 85 N 0.92 1.84 -0.17 1.61 2.02 -1.24 -5.02 118.70 118.66 2yro s GLU 85 Ca 0.21 -2.05 -0.04 0.00 0.02 0.00 0.00 54.97 53.11 2yro s GLU 85 Cb -0.15 -1.21 0.08 0.00 0.10 0.00 0.00 34.13 32.95 2yro s GLU 85 CO 0.08 -0.17 0.20 1.03 0.02 0.00 0.00 175.26 176.42 2yro s ARG 86 N -3.81 0.14 -0.30 1.61 0.52 -1.26 -3.89 118.95 111.96 2yro s ARG 86 Ca 0.32 0.29 -0.07 0.00 -0.52 0.00 0.00 55.73 55.75 2yro s ARG 86 Cb 0.08 -0.99 0.18 0.00 0.52 0.00 0.00 34.95 34.74 2yro s ARG 86 CO 0.15 -0.56 0.82 1.21 0.02 0.00 0.00 175.30 176.94 2yro s ASN 87 N 2.31 -0.94 -0.05 0.23 3.84 -1.26 -5.06 114.94 114.01 2yro s ASN 87 Ca 0.05 0.59 -0.10 0.00 0.21 0.00 0.00 52.86 53.61 2yro s ASN 87 Cb -0.15 1.79 0.02 0.00 -0.55 0.00 0.00 41.25 42.36 2yro s ASN 87 CO -0.10 -0.18 0.24 0.27 -2.79 0.00 0.00 177.10 174.55 2yro s ILE 88 N 2.91 0.04 0.31 -5.21 -4.36 -1.26 -5.01 121.20 108.61 2yro s ILE 88 Ca 0.10 -0.31 0.04 0.00 -0.26 0.00 0.00 60.65 60.23 2yro s ILE 88 Cb -0.13 -0.45 0.10 0.00 1.25 0.00 0.00 42.46 43.22 2yro s ILE 88 CO -0.16 -0.17 1.78 0.00 0.24 0.00 0.00 174.94 176.63 2yro h THR 89 N 4.37 1.24 -2.01 8.37 1.03 -2.01 -3.47 112.91 120.44 2yro h THR 89 Ca -0.28 -1.13 0.19 0.00 -0.01 0.00 0.00 66.41 65.18 2yro h THR 89 Cb 1.19 1.29 -0.13 0.00 -1.07 0.00 0.00 68.15 69.43 2yro h THR 89 CO 0.37 0.36 0.61 -0.44 -0.01 0.00 0.00 175.52 176.41 2yro s SER 90 N -6.82 -0.22 -0.57 0.00 0.01 -1.26 -4.92 113.70 99.92 2yro s SER 90 Ca -0.06 -0.13 -0.10 0.00 1.31 0.00 0.00 55.95 56.96 2yro s SER 90 Cb 0.14 0.33 0.15 0.00 0.21 0.00 0.00 66.02 66.85 2yro s SER 90 CO 0.77 -0.57 0.46 0.12 0.41 0.00 0.00 173.24 174.43 2yro s PHE 91 N -2.92 3.46 0.25 2.43 5.36 -1.26 -4.92 117.98 120.39 2yro s PHE 91 Ca 0.09 -1.95 0.20 0.00 -0.96 0.00 0.00 56.93 54.31 2yro s PHE 91 Cb -0.00 -3.55 0.86 0.00 -0.34 0.00 0.00 43.02 39.99 2yro s PHE 91 CO -0.04 -0.97 1.83 -1.00 -1.46 0.00 0.00 175.22 173.57 2yro h PRO 92 N 8.16 0.00 -6.71 10.12 0.13 -1.97 -3.44 132.00 138.29 2yro h PRO 92 Ca -0.13 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.47 2yro h PRO 92 Cb 1.05 0.00 0.06 0.00 0.13 0.00 0.00 31.00 32.24 2yro h PRO 92 CO 0.84 0.31 0.83 -0.06 -0.23 0.00 0.00 178.00 179.69 2yro s PHE 93 N -3.84 2.98 -0.02 1.56 0.08 -1.26 -5.01 117.98 112.47 2yro s PHE 93 Ca -0.01 0.83 -0.07 0.00 0.12 0.00 0.00 56.93 57.80 2yro s PHE 93 Cb 0.12 -3.91 0.01 0.00 -0.57 0.00 0.00 43.02 38.67 2yro s PHE 93 CO 0.67 -3.13 0.15 -1.12 -0.10 0.00 0.00 175.22 171.69 2yro s SER 94 N 0.67 -0.06 0.02 1.36 0.01 -1.26 -5.01 113.70 109.44 2yro s SER 94 Ca 0.64 0.02 -0.30 0.00 1.31 0.00 0.00 55.95 57.62 2yro s SER 94 Cb -0.44 0.26 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 2yro s SER 94 CO 0.40 -0.24 1.43 -2.16 0.41 0.00 0.00 173.24 173.08 2yro s PRO 95 N -0.77 4.28 -0.09 12.44 0.04 -1.26 -3.41 135.00 146.22 2yro s PRO 95 Ca -0.09 2.02 -0.00 0.00 0.04 0.00 0.00 61.00 62.97 2yro s PRO 95 Cb -0.05 -3.54 0.00 0.00 0.04 0.00 0.00 34.50 30.95 2yro s PRO 95 CO 0.01 -0.58 0.08 0.41 0.04 0.00 0.00 177.00 176.96 2yro n GLY 96 N 3.67 0.61 3.23 0.56 0.00 -0.08 -4.54 105.19 108.64 2yro n GLY 96 Ca 0.13 -0.52 -0.10 0.00 0.00 0.00 0.00 46.02 45.53 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 -4.57 1.02 -0.43 1.61 0.23 -1.21 -4.93 119.30 111.03 2yro s MET 97 Ca 0.02 -1.31 -0.13 0.00 -1.03 0.00 0.00 55.69 53.25 2yro s MET 97 Cb -0.01 0.30 0.06 0.00 -1.53 0.00 0.00 34.83 33.65 2yro s MET 97 CO 0.05 -0.33 0.30 -0.47 -2.03 0.00 0.00 175.02 172.54 2yro s TYR 98 N -4.01 3.27 0.16 3.16 6.14 -1.26 -1.52 117.35 123.29 2yro s TYR 98 Ca 0.20 -1.04 0.05 0.00 0.64 0.00 0.00 57.07 56.92 2yro s TYR 98 Cb 0.06 -2.85 -0.04 0.00 0.42 0.00 0.00 41.96 39.55 2yro s TYR 98 CO 0.00 -0.74 0.13 -0.59 0.64 0.00 0.00 175.55 174.99 2yro s PHE 99 N 1.57 3.14 -0.15 4.97 -0.12 -1.23 -4.78 117.98 121.38 2yro s PHE 99 Ca 0.03 -0.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.88 2yro s PHE 99 Cb -0.22 -1.51 0.04 0.00 -0.63 0.00 0.00 43.02 40.70 2yro s PHE 99 CO 0.06 0.52 -0.02 -2.00 -0.05 0.00 0.00 175.22 173.73 2yro s GLU 100 N -3.09 1.04 -0.30 1.99 2.12 -1.26 -3.52 118.70 115.67 2yro s GLU 100 Ca 0.31 -0.33 -0.14 0.00 0.36 0.00 0.00 54.97 55.16 2yro s GLU 100 Cb -0.10 -1.77 -0.03 0.00 0.26 0.00 0.00 34.13 32.49 2yro s GLU 100 CO 0.23 -0.45 0.34 1.41 -0.54 0.00 0.00 175.26 176.25 2yro s MET 101 N 1.78 3.82 -0.29 4.30 -2.45 -1.11 -1.96 119.30 123.39 2yro s MET 101 Ca 0.01 -0.20 -0.07 0.00 -1.25 0.00 0.00 55.69 54.18 2yro s MET 101 Cb -0.15 -3.72 -0.00 0.00 1.25 0.00 0.00 34.83 32.21 2yro s MET 101 CO -0.07 -0.37 0.09 0.42 1.05 0.00 0.00 175.02 176.14 2yro s ILE 102 N 2.00 4.13 -0.42 10.11 1.09 -0.68 -0.82 121.20 136.62 2yro s ILE 102 Ca 0.12 -0.55 -0.12 0.00 -1.10 0.00 0.00 60.65 59.00 2yro s ILE 102 Cb -0.16 -3.09 0.05 0.00 -1.06 0.00 0.00 42.46 38.20 2yro s ILE 102 CO 0.11 0.13 0.29 -0.63 -0.10 0.00 0.00 174.94 174.74 2yro s ILE 103 N 1.54 4.79 -0.10 2.92 1.01 -0.16 -2.53 121.20 128.68 2yro s ILE 103 Ca 0.04 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.65 2yro s ILE 103 Cb -0.17 -3.80 -0.02 0.00 0.01 0.00 0.00 42.46 38.48 2yro s ILE 103 CO 0.03 -0.43 -0.10 -0.47 0.00 0.00 0.00 174.94 173.98 2yro s TYR 104 N 1.56 2.87 -0.33 3.97 5.04 -1.22 -1.61 117.35 127.63 2yro s TYR 104 Ca 0.03 -0.25 -0.07 0.00 -2.44 0.00 0.00 57.07 54.34 2yro s TYR 104 Cb -0.22 -1.77 0.03 0.00 0.35 0.00 0.00 41.96 40.35 2yro s TYR 104 CO 0.06 0.09 0.11 0.00 -1.34 0.00 0.00 175.55 174.47 2yro n ASP 106 N 4.85 3.84 -1.86 0.00 -0.08 -1.25 -0.21 116.55 121.84 2yro n ASP 106 Ca -0.13 -3.51 -0.08 0.00 -1.51 0.00 0.00 54.79 49.55 2yro n ASP 106 Cb 0.46 -0.77 -0.02 0.00 2.34 0.00 0.00 41.12 43.13 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 -0.85 -0.20 0.00 5.18 0.31 -1.26 -4.57 118.33 116.94 2yro n VAL 107 Ca 0.49 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.82 2yro n VAL 107 Cb 1.46 -1.01 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 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 -2.14 0.91 -3.62 5.55 5.12 -1.26 -5.11 116.66 116.12 2yro n ARG 108 Ca -0.09 0.00 -0.01 0.00 -1.93 0.00 0.00 57.85 55.81 2yro n ARG 108 Cb 0.43 -0.65 -0.01 0.00 -1.16 0.00 0.00 32.46 31.07 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 -1.30 0.46 -0.50 5.56 -1.05 -1.26 -4.06 118.70 116.55 2yro s GLU 109 Ca 0.00 -0.23 -0.21 0.00 -0.15 0.00 0.00 54.97 54.39 2yro s GLU 109 Cb 0.00 0.18 0.05 0.00 -0.44 0.00 0.00 34.13 33.91 2yro s GLU 109 CO 0.00 -0.21 0.70 -0.06 0.95 0.00 0.00 175.26 176.64 2yro s PHE 110 N -2.54 2.99 0.20 4.83 0.08 0.18 -3.94 117.98 119.79 2yro s PHE 110 Ca 0.12 -0.33 -0.06 0.00 0.12 0.00 0.00 56.93 56.78 2yro s PHE 110 Cb 0.02 -3.63 -0.06 0.00 -0.57 0.00 0.00 43.02 38.78 2yro s PHE 110 CO -0.04 -1.08 0.47 0.15 -0.10 0.00 0.00 175.22 174.63 2yro s LYS 111 N 2.97 3.69 -0.16 0.44 1.02 -1.18 -0.43 119.74 126.09 2yro s LYS 111 Ca 0.20 0.06 -0.06 0.00 0.02 0.00 0.00 55.97 56.19 2yro s LYS 111 Cb -0.17 -2.74 0.08 0.00 -0.52 0.00 0.00 37.83 34.48 2yro s LYS 111 CO 0.15 0.37 0.33 0.54 -0.92 0.00 0.00 175.35 175.81 2yro s VAL 112 N -1.80 -0.52 0.20 3.17 0.11 -1.22 -3.38 120.40 116.97 2yro s VAL 112 Ca 0.44 0.23 0.10 0.00 -2.93 0.00 0.00 61.98 59.82 2yro s VAL 112 Cb -0.11 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.15 2yro s VAL 112 CO 0.24 0.10 -0.15 0.00 -3.33 0.00 0.00 175.10 171.96 2yro s ALA 113 N 2.50 2.81 -0.04 1.54 0.00 -1.05 -3.77 121.76 123.76 2yro s ALA 113 Ca 0.00 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.40 2yro s ALA 113 Cb -0.12 -0.56 0.01 0.00 0.00 0.00 0.00 23.12 22.45 2yro s ALA 113 CO -0.10 0.42 -0.10 0.08 0.00 0.00 0.00 175.76 176.06 2yro s VAL 114 N -1.84 0.89 -1.46 0.00 1.01 -0.60 -1.69 120.40 116.71 2yro s VAL 114 Ca 0.25 -0.37 -0.06 0.00 0.00 0.00 0.00 61.98 61.80 2yro s VAL 114 Cb -0.08 -0.81 0.01 0.00 0.00 0.00 0.00 36.38 35.50 2yro s VAL 114 CO 0.14 0.29 0.76 0.59 0.00 0.00 0.00 175.10 176.88 2yro n ASN 115 N 3.59 -6.10 -2.80 3.32 4.13 -0.83 -2.10 115.26 114.47 2yro n ASN 115 Ca -0.21 -0.35 -0.19 0.00 1.68 0.00 0.00 54.58 55.51 2yro n ASN 115 Cb 0.53 -4.86 0.05 0.00 -1.54 0.00 0.00 39.78 33.95 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2yro n GLY 116 N -1.65 -0.28 3.14 7.41 0.00 -1.26 -4.33 105.19 108.22 2yro n GLY 116 Ca -0.08 0.03 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.18 -0.34 0.12 1.61 1.01 -0.89 -4.94 120.40 113.80 2yro s VAL 117 Ca 0.38 0.19 -0.31 0.00 0.00 0.00 0.00 61.98 62.24 2yro s VAL 117 Cb -0.17 -0.53 -0.09 0.00 0.00 0.00 0.00 36.38 35.59 2yro s VAL 117 CO 0.47 0.08 1.64 -2.28 0.00 0.00 0.00 175.10 175.01 2yro s HIS 118 N 2.06 2.66 -0.03 5.22 2.46 -1.26 -1.56 115.29 124.85 2yro s HIS 118 Ca -0.04 0.40 -0.04 0.00 0.47 0.00 0.00 55.06 55.85 2yro s HIS 118 Cb -0.11 -3.99 -0.01 0.00 -0.13 0.00 0.00 32.58 28.34 2yro s HIS 118 CO -0.11 -3.84 -0.08 0.43 -2.47 0.00 0.00 174.74 168.67 2yro n SER 119 N 4.89 0.64 -3.83 9.88 7.64 -1.25 -4.94 113.62 126.65 2yro n SER 119 Ca 0.15 0.10 -0.13 0.00 1.01 0.00 0.00 58.87 60.00 2yro n SER 119 Cb 0.39 -0.41 -0.08 0.00 -1.01 0.00 0.00 64.21 63.11 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 -6.02 1.06 0.29 -3.43 -0.00 -1.25 -4.79 118.68 104.53 2yro s LEU 120 Ca -0.07 -1.38 0.02 0.00 -0.00 0.00 0.00 54.13 52.71 2yro s LEU 120 Cb 0.01 0.90 -0.06 0.00 -0.00 0.00 0.00 46.19 47.04 2yro s LEU 120 CO 0.10 -1.03 0.08 -1.61 -0.00 0.00 0.00 176.35 173.89 2yro s GLU 121 N -3.80 1.52 -0.23 1.48 8.01 -1.26 -3.38 118.70 121.04 2yro s GLU 121 Ca 0.34 -1.83 -0.03 0.00 0.01 0.00 0.00 54.97 53.46 2yro s GLU 121 Cb 0.03 -0.55 0.12 0.00 -4.31 0.00 0.00 34.13 29.42 2yro s GLU 121 CO 0.16 -0.24 0.30 -0.47 0.01 0.00 0.00 175.26 175.02 2yro s TYR 122 N -3.53 -0.56 0.46 1.61 6.14 0.43 -5.01 117.35 116.89 2yro s TYR 122 Ca 0.37 0.45 -0.19 0.00 0.64 0.00 0.00 57.07 58.35 2yro s TYR 122 Cb 0.08 -0.20 -0.15 0.00 0.42 0.00 0.00 41.96 42.12 2yro s TYR 122 CO 0.14 -0.70 -0.06 1.63 0.64 0.00 0.00 175.55 177.21 2yro n LYS 123 N 5.34 0.00 -1.91 4.97 4.01 -1.26 0.50 118.16 129.80 2yro n LYS 123 Ca -0.04 0.00 -0.23 0.00 -0.51 0.00 0.00 58.31 57.53 2yro n LYS 123 Cb 0.49 -0.98 -0.06 0.00 -0.51 0.00 0.00 35.03 33.98 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -1.11 0.00 0.00 177.40 175.28 2yro s HIS 124 N -1.87 1.62 0.07 2.13 3.76 -1.26 -4.33 115.29 115.42 2yro s HIS 124 Ca 0.57 1.03 -0.20 0.00 -0.15 0.00 0.00 55.06 56.31 2yro s HIS 124 Cb -0.53 -3.86 -0.10 0.00 1.11 0.00 0.00 32.58 29.20 2yro s HIS 124 CO 0.64 -1.63 1.51 -0.09 -0.85 0.00 0.00 174.74 174.31 2yro h ARG 125 N 11.56 0.34 -6.23 1.40 2.43 -1.83 -3.40 114.38 118.65 2yro h ARG 125 Ca 0.08 -0.11 -0.59 0.00 -0.81 0.00 0.00 59.98 58.55 2yro h ARG 125 Cb 1.00 -0.03 -0.09 0.00 -0.42 0.00 0.00 29.97 30.43 2yro h ARG 125 CO 1.15 0.54 0.66 0.12 -1.51 0.00 0.00 179.97 180.93 2yro s PHE 126 N -5.00 2.99 0.12 2.20 5.36 -1.26 -4.93 117.98 117.46 2yro s PHE 126 Ca -0.14 0.66 -0.20 0.00 -0.96 0.00 0.00 56.93 56.29 2yro s PHE 126 Cb 0.07 -3.89 -0.05 0.00 -0.34 0.00 0.00 43.02 38.80 2yro s PHE 126 CO 0.73 -0.99 1.74 0.87 -1.46 0.00 0.00 175.22 176.11 2yro h LYS 127 N 8.78 0.13 -6.09 10.12 1.79 -1.99 -3.37 116.57 125.93 2yro h LYS 127 Ca -0.23 -0.01 -0.51 0.00 -2.18 0.00 0.00 60.65 57.72 2yro h LYS 127 Cb 1.07 -0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.65 2yro h LYS 127 CO 1.02 0.09 1.28 -2.00 -1.08 0.00 0.00 179.45 178.76 2yro s GLU 128 N -6.18 2.82 0.01 3.15 2.56 -1.26 -4.81 118.70 114.99 2yro s GLU 128 Ca -0.13 0.50 0.05 0.00 0.00 0.00 0.00 54.97 55.39 2yro s GLU 128 Cb 0.09 -4.32 -0.24 0.00 2.00 0.00 0.00 34.13 31.66 2yro s GLU 128 CO 0.69 -2.52 0.88 -0.07 -0.56 0.00 0.00 175.26 173.68 2yro h LEU 129 N 15.43 0.14 -2.40 2.70 3.38 -1.90 -3.31 115.31 129.35 2yro h LEU 129 Ca -0.27 -0.22 -0.12 0.00 0.09 0.00 0.00 57.88 57.37 2yro h LEU 129 Cb 1.14 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.77 2yro h LEU 129 CO 1.21 1.18 0.15 -0.24 0.09 0.00 0.00 178.44 180.84 2yro n SER 130 N -3.28 3.04 -0.05 -0.43 2.88 -1.23 -3.46 113.62 111.09 2yro n SER 130 Ca -0.13 -2.42 -0.07 0.00 -1.33 0.00 0.00 58.87 54.92 2yro n SER 130 Cb 1.02 -0.59 -0.05 0.00 -0.75 0.00 0.00 64.21 63.83 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2yro n SER 131 N 0.06 3.08 -4.53 -3.46 2.88 -1.25 -4.77 113.62 105.62 2yro n SER 131 Ca 0.15 -0.05 -0.32 0.00 -1.33 0.00 0.00 58.87 57.32 2yro n SER 131 Cb 0.77 -0.04 -0.09 0.00 -0.75 0.00 0.00 64.21 64.10 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2yro n ILE 132 N -2.75 -0.04 -0.06 2.46 5.41 -1.24 -4.23 119.36 118.91 2yro n ILE 132 Ca -0.19 -0.49 -0.08 0.00 1.00 0.00 0.00 62.75 62.99 2yro n ILE 132 Cb 0.72 -1.70 -0.06 0.00 -0.71 0.00 0.00 39.64 37.90 2yro n ILE 132 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2yro n ASP 133 N 13.73 2.93 -4.89 4.38 9.92 -1.26 -1.76 116.55 139.61 2yro n ASP 133 Ca 0.51 -0.06 -0.30 0.00 -0.53 0.00 0.00 54.79 54.41 2yro n ASP 133 Cb 0.33 -0.03 -0.04 0.00 -0.64 0.00 0.00 41.12 40.74 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2yro s THR 134 N -2.25 4.97 -0.21 -3.53 2.01 -1.18 -0.18 115.64 115.27 2yro s THR 134 Ca -0.15 0.27 -0.04 0.00 0.31 0.00 0.00 61.69 62.08 2yro s THR 134 Cb 0.04 -3.68 0.07 0.00 0.01 0.00 0.00 72.50 68.94 2yro s THR 134 CO 0.31 -0.23 0.09 -0.22 -0.69 0.00 0.00 174.62 173.88 2yro s LEU 135 N -3.26 0.64 -0.11 4.42 2.96 0.75 -3.66 118.68 120.42 2yro s LEU 135 Ca 0.46 -0.84 -0.05 0.00 -0.22 0.00 0.00 54.13 53.48 2yro s LEU 135 Cb -0.11 -0.36 -0.04 0.00 0.50 0.00 0.00 46.19 46.18 2yro s LEU 135 CO 0.26 -0.36 0.09 -1.61 -1.32 0.00 0.00 176.35 173.41 2yro s GLU 136 N 2.05 3.32 -0.10 1.98 2.02 -0.41 -2.49 118.70 125.07 2yro s GLU 136 Ca 0.03 -0.23 -0.07 0.00 0.02 0.00 0.00 54.97 54.72 2yro s GLU 136 Cb -0.16 -3.06 0.04 0.00 0.10 0.00 0.00 34.13 31.04 2yro s GLU 136 CO -0.15 0.72 0.26 0.42 0.02 0.00 0.00 175.26 176.53 2yro s ILE 137 N -0.89 -0.03 0.33 -1.63 1.01 0.79 -1.10 121.20 119.69 2yro s ILE 137 Ca 0.14 0.09 -0.02 0.00 0.00 0.00 0.00 60.65 60.86 2yro s ILE 137 Cb -0.12 -0.38 -0.00 0.00 0.01 0.00 0.00 42.46 41.97 2yro s ILE 137 CO 0.03 0.04 0.44 0.21 0.00 0.00 0.00 174.94 175.66 2yro s ASN 138 N 0.87 0.94 0.00 3.58 3.84 -0.69 0.33 114.94 123.80 2yro s ASN 138 Ca -0.06 -1.49 0.00 0.00 0.21 0.00 0.00 52.86 51.52 2yro s ASN 138 Cb -0.07 0.64 0.00 0.00 -0.55 0.00 0.00 41.25 41.27 2yro s ASN 138 CO -0.06 -1.25 0.00 0.61 -2.79 0.00 0.00 177.10 173.62 2yro n GLY 139 N -0.55 0.88 2.27 1.21 0.00 -1.26 -1.34 105.19 106.39 2yro n GLY 139 Ca 0.02 -1.99 -0.31 0.00 0.00 0.00 0.00 46.02 43.73 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 2.42 6.63 -4.70 1.61 8.00 -0.96 -4.95 116.55 124.60 2yro n ASP 140 Ca 0.00 -3.70 -0.26 0.00 0.71 0.00 0.00 54.79 51.54 2yro n ASP 140 Cb 0.00 -0.94 -0.09 0.00 -0.02 0.00 0.00 41.12 40.07 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 -4.29 2.16 -0.40 0.53 -5.25 -1.26 -4.16 121.20 108.53 2yro s ILE 141 Ca 0.61 -1.80 -0.08 0.00 -0.99 0.00 0.00 60.65 58.39 2yro s ILE 141 Cb 0.49 -2.97 0.08 0.00 2.95 0.00 0.00 42.46 43.01 2yro s ILE 141 CO 0.02 0.00 0.23 -2.28 -1.79 0.00 0.00 174.94 171.12 2yro s HIS 142 N -2.65 3.36 0.50 1.37 5.65 0.54 -4.91 115.29 119.16 2yro s HIS 142 Ca 0.38 -1.64 -0.20 0.00 0.25 0.00 0.00 55.06 53.85 2yro s HIS 142 Cb 0.06 -2.89 -0.07 0.00 -1.18 0.00 0.00 32.58 28.49 2yro s HIS 142 CO 0.20 -0.85 1.09 -1.17 -0.65 0.00 0.00 174.74 173.36 2yro s LEU 143 N 1.38 3.83 0.03 8.88 2.96 -1.26 -1.22 118.68 133.28 2yro s LEU 143 Ca 0.03 2.07 -0.03 0.00 -0.22 0.00 0.00 54.13 55.97 2yro s LEU 143 Cb -0.23 -4.53 -0.01 0.00 0.50 0.00 0.00 46.19 41.93 2yro s LEU 143 CO 0.01 -0.96 -0.06 0.18 -1.32 0.00 0.00 176.35 174.20 2yro n LEU 144 N -1.02 1.07 -3.57 -0.68 4.77 -1.04 -2.62 117.00 113.90 2yro n LEU 144 Ca 0.10 0.15 -0.06 0.00 -0.03 0.00 0.00 56.01 56.16 2yro n LEU 144 Cb 0.51 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 2yro n LEU 144 CO 0.41 -0.51 0.89 -0.70 -1.33 0.00 0.00 177.39 176.15 2yro s GLU 145 N -2.14 0.48 -0.21 3.23 2.56 -1.20 -3.13 118.70 118.29 2yro s GLU 145 Ca -0.05 -0.10 -0.04 0.00 0.00 0.00 0.00 54.97 54.78 2yro s GLU 145 Cb 0.01 0.22 -0.01 0.00 2.00 0.00 0.00 34.13 36.35 2yro s GLU 145 CO 0.08 -0.19 -0.04 0.08 -0.56 0.00 0.00 175.26 174.62 2yro s VAL 146 N -2.22 3.39 -0.01 3.70 1.01 -1.26 -2.69 120.40 122.32 2yro s VAL 146 Ca 0.06 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.57 2yro s VAL 146 Cb -0.01 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 2yro s VAL 146 CO -0.05 0.43 -0.06 -0.60 0.00 0.00 0.00 175.10 174.82 2yro s ARG 147 N 1.39 2.62 -0.09 2.72 6.06 -1.07 -5.01 118.95 125.57 2yro s ARG 147 Ca 0.05 -0.68 -0.03 0.00 -2.50 0.00 0.00 55.73 52.57 2yro s ARG 147 Cb -0.14 -2.54 0.05 0.00 0.06 0.00 0.00 34.95 32.37 2yro s ARG 147 CO -0.03 0.62 0.15 -1.54 -2.50 0.00 0.00 175.30 172.00 2yro s SER 148 N -1.34 0.94 0.11 -2.12 1.04 -1.26 -0.12 113.70 110.96 2yro s SER 148 Ca 0.17 0.20 0.04 0.00 0.48 0.00 0.00 55.95 56.84 2yro s SER 148 Cb -0.11 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.16 2yro s SER 148 CO 0.07 -0.26 -0.10 -1.66 0.98 0.00 0.00 173.24 172.27 2yro s TRP 149 N 2.27 1.15 -0.12 5.02 -2.14 0.78 -4.96 118.94 120.95 2yro s TRP 149 Ca 0.04 -0.69 -0.11 0.00 2.66 0.00 0.00 56.10 58.00 2yro s TRP 149 Cb -0.12 -0.61 -0.05 0.00 -3.10 0.00 0.00 33.47 29.58 2yro s TRP 149 CO -0.06 0.03 -0.23 -1.13 -2.66 0.00 0.00 176.95 172.90 2yro n SER 150 N 0.31 1.55 0.00 -2.66 3.41 -1.26 0.36 113.62 115.32 2yro n SER 150 Ca -0.14 0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2yro n SER 150 Cb 0.59 -0.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2yro n SER 150 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2yro n GLY 151 N 2.06 2.07 3.65 5.00 0.00 -1.26 -4.68 105.19 112.03 2yro n GLY 151 Ca -0.18 0.14 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 2yro n GLY 151 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 152 N 0.00 4.09 -0.14 1.61 0.04 -1.26 -5.00 135.00 134.35 2yro s PRO 152 Ca 0.00 1.92 -0.17 0.00 0.04 0.00 0.00 61.00 62.79 2yro s PRO 152 Cb 0.00 -3.94 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 2yro s PRO 152 CO 0.00 -0.93 0.43 -1.54 0.04 0.00 0.00 177.00 175.00 2yro s SER 153 N 3.24 6.60 -0.35 6.66 1.04 -1.26 -4.96 113.70 124.66 2yro s SER 153 Ca 0.68 0.71 -0.25 0.00 0.48 0.00 0.00 55.95 57.58 2yro s SER 153 Cb -0.28 -2.26 0.01 0.00 0.10 0.00 0.00 66.02 63.59 2yro s SER 153 CO 0.26 0.00 0.88 -0.94 0.98 0.00 0.00 173.24 174.42 2yro s SER 154 N 0.66 6.66 0.00 7.02 1.04 -1.26 -5.17 113.70 122.64 2yro s SER 154 Ca 0.23 0.57 0.00 0.00 0.48 0.00 0.00 55.95 57.23 2yro s SER 154 Cb -0.15 -2.44 0.00 0.00 0.10 0.00 0.00 66.02 63.53 2yro s SER 154 CO 0.09 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.13