#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 -0.59 -0.01 1.61 0.15 -1.26 -5.17 113.70 108.43 2yro s SER 2 Ca 0.00 0.56 0.03 0.00 0.70 0.00 0.00 55.95 57.24 2yro s SER 2 Cb 0.00 0.52 -0.01 0.00 -1.71 0.00 0.00 66.02 64.82 2yro s SER 2 CO 0.00 -0.63 -0.09 -0.55 1.20 0.00 0.00 173.24 173.17 2yro s SER 3 N -1.37 1.03 -0.64 5.45 0.15 -1.26 -5.06 113.70 112.01 2yro s SER 3 Ca -0.10 -0.16 0.01 0.00 0.70 0.00 0.00 55.95 56.40 2yro s SER 3 Cb -0.01 -0.11 0.39 0.00 -1.71 0.00 0.00 66.02 64.58 2yro s SER 3 CO 0.07 0.11 1.61 0.61 1.20 0.00 0.00 173.24 176.83 2yro n GLY 4 N 2.86 5.80 3.82 9.45 0.00 -1.26 -5.04 105.19 120.82 2yro n GLY 4 Ca -0.13 -2.60 -0.33 0.00 0.00 0.00 0.00 46.02 42.96 2yro n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro s SER 5 N -2.28 6.31 0.00 1.61 0.01 -1.26 -5.05 113.70 113.03 2yro s SER 5 Ca 0.51 1.74 -0.09 0.00 1.31 0.00 0.00 55.95 59.43 2yro s SER 5 Cb 0.43 -2.53 -0.05 0.00 0.21 0.00 0.00 66.02 64.08 2yro s SER 5 CO -0.27 -0.80 0.30 -0.44 0.41 0.00 0.00 173.24 172.43 2yro s SER 6 N -2.66 6.57 0.01 2.44 0.01 -1.26 -5.02 113.70 113.79 2yro s SER 6 Ca 0.63 0.67 -0.38 0.00 1.31 0.00 0.00 55.95 58.17 2yro s SER 6 Cb -0.13 -2.13 -0.18 0.00 0.21 0.00 0.00 66.02 63.78 2yro s SER 6 CO 0.29 0.28 1.28 0.61 0.41 0.00 0.00 173.24 176.10 2yro n GLY 7 N 1.34 0.21 3.66 3.44 0.00 -1.26 -4.93 105.19 107.65 2yro n GLY 7 Ca -0.12 0.75 -0.29 0.00 0.00 0.00 0.00 46.02 46.36 2yro n GLY 7 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2yro s PRO 8 N 0.58 0.05 0.21 1.61 0.04 -1.26 -5.07 135.00 131.16 2yro s PRO 8 Ca 0.88 0.39 0.06 0.00 0.04 0.00 0.00 61.00 62.37 2yro s PRO 8 Cb -1.09 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 31.70 2yro s PRO 8 CO 0.53 -2.96 0.17 -1.59 0.04 0.00 0.00 177.00 173.19 2yro s LYS 9 N -5.04 2.92 -0.07 4.56 0.00 -1.26 -5.13 119.74 115.72 2yro s LYS 9 Ca 0.66 -0.97 -0.30 0.00 0.00 0.00 0.00 55.97 55.36 2yro s LYS 9 Cb -0.17 -2.60 0.08 0.00 0.00 0.00 0.00 37.83 35.14 2yro s LYS 9 CO 0.57 0.44 0.76 0.45 0.00 0.00 0.00 175.35 177.57 2yro s SER 10 N -3.52 -0.58 0.00 0.03 0.15 -1.26 -5.12 113.70 103.40 2yro s SER 10 Ca 0.32 0.60 0.00 0.00 0.70 0.00 0.00 55.95 57.57 2yro s SER 10 Cb -0.09 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.70 2yro s SER 10 CO 0.24 -0.56 0.00 0.61 1.20 0.00 0.00 173.24 174.73 2yro n GLY 11 N 0.79 -0.68 3.48 9.45 0.00 -1.26 -5.13 105.19 111.83 2yro n GLY 11 Ca -0.17 0.36 -0.37 0.00 0.00 0.00 0.00 46.02 45.84 2yro n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yro n THR 12 N -0.11 2.27 -1.16 2.61 -2.24 -1.26 -4.96 114.28 109.43 2yro n THR 12 Ca 0.00 -0.47 -0.29 0.00 -2.27 0.00 0.00 64.05 61.02 2yro n THR 12 Cb 0.00 -0.74 0.19 0.00 -2.10 0.00 0.00 70.33 67.67 2yro n THR 12 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2yro s PRO 13 N -2.36 0.20 0.12 -0.78 0.04 -1.26 -5.08 135.00 125.88 2yro s PRO 13 Ca 0.68 0.44 -0.18 0.00 0.04 0.00 0.00 61.00 61.98 2yro s PRO 13 Cb -0.41 -1.72 0.06 0.00 0.04 0.00 0.00 34.50 32.47 2yro s PRO 13 CO 0.55 -2.87 0.85 0.00 0.04 0.00 0.00 177.00 175.57 2yro n GLN 14 N -4.26 0.47 -1.63 4.56 0.00 -1.26 -5.08 117.38 110.17 2yro n GLN 14 Ca 0.06 -1.11 -0.29 0.00 0.00 0.00 0.00 57.00 55.66 2yro n GLN 14 Cb 0.58 1.52 0.15 0.00 0.00 0.00 0.00 30.24 32.49 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 0.00 2.09 -0.01 2.61 1.43 -1.24 -5.07 118.68 118.49 2yro s LEU 15 Ca 0.19 0.76 -0.04 0.00 -1.03 0.00 0.00 54.13 54.01 2yro s LEU 15 Cb -0.02 -2.99 -0.00 0.00 0.03 0.00 0.00 46.19 43.21 2yro s LEU 15 CO 0.04 -2.65 0.07 -0.44 0.23 0.00 0.00 176.35 173.61 2yro s SER 16 N -4.28 0.03 0.15 2.29 0.01 -1.26 -4.64 113.70 106.00 2yro s SER 16 Ca 0.66 -0.12 -0.02 0.00 1.31 0.00 0.00 55.95 57.78 2yro s SER 16 Cb -0.11 0.17 -0.05 0.00 0.21 0.00 0.00 66.02 66.24 2yro s SER 16 CO 0.53 -0.21 0.35 -0.76 0.41 0.00 0.00 173.24 173.55 2yro s LEU 17 N -0.82 4.27 0.19 2.44 1.43 -1.26 -3.28 118.68 121.65 2yro s LEU 17 Ca -0.09 0.45 -0.30 0.00 -1.03 0.00 0.00 54.13 53.15 2yro s LEU 17 Cb -0.05 -3.18 -0.09 0.00 0.03 0.00 0.00 46.19 42.90 2yro s LEU 17 CO 0.00 0.04 1.31 -2.16 0.23 0.00 0.00 176.35 175.77 2yro s PRO 18 N -2.90 4.38 -0.55 1.29 0.04 -1.26 -5.04 135.00 130.97 2yro s PRO 18 Ca 0.39 2.04 -0.20 0.00 0.04 0.00 0.00 61.00 63.27 2yro s PRO 18 Cb -0.12 -3.21 0.06 0.00 0.04 0.00 0.00 34.50 31.28 2yro s PRO 18 CO 0.27 -0.27 0.73 0.12 0.04 0.00 0.00 177.00 177.90 2yro s PHE 19 N 0.24 2.95 -0.30 0.56 5.36 0.17 -4.95 117.98 122.00 2yro s PHE 19 Ca 0.57 -0.52 0.03 0.00 -0.96 0.00 0.00 56.93 56.05 2yro s PHE 19 Cb -0.36 -3.80 0.09 0.00 -0.34 0.00 0.00 43.02 38.60 2yro s PHE 19 CO 0.37 -1.20 0.01 0.00 -1.46 0.00 0.00 175.22 172.93 2yro s ALA 20 N 3.03 2.50 -0.03 11.12 0.00 -1.26 -0.54 121.76 136.58 2yro s ALA 20 Ca 0.18 -2.07 -0.03 0.00 0.00 0.00 0.00 51.96 50.04 2yro s ALA 20 Cb -0.19 -1.76 0.01 0.00 0.00 0.00 0.00 23.12 21.19 2yro s ALA 20 CO 0.12 -1.51 0.08 0.00 0.00 0.00 0.00 175.76 174.46 2yro s ALA 21 N 1.12 -0.19 0.17 0.00 0.00 -1.19 -5.04 121.76 116.62 2yro s ALA 21 Ca 0.04 0.27 -0.21 0.00 0.00 0.00 0.00 51.96 52.05 2yro s ALA 21 Cb -0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 23.12 22.69 2yro s ALA 21 CO -0.09 -0.05 0.70 1.03 0.00 0.00 0.00 175.76 177.35 2yro s ARG 22 N 0.18 4.33 -0.19 0.00 0.52 -1.26 -2.30 118.95 120.23 2yro s ARG 22 Ca -0.01 0.92 -0.28 0.00 -0.52 0.00 0.00 55.73 55.84 2yro s ARG 22 Cb -0.02 -3.08 -0.00 0.00 0.52 0.00 0.00 34.95 32.36 2yro s ARG 22 CO -0.01 0.51 0.95 -0.51 0.02 0.00 0.00 175.30 176.27 2yro s LEU 23 N -1.52 4.14 0.26 2.53 1.43 0.15 -4.92 118.68 120.76 2yro s LEU 23 Ca 0.37 1.31 0.05 0.00 -1.03 0.00 0.00 54.13 54.83 2yro s LEU 23 Cb -0.19 -3.42 0.72 0.00 0.03 0.00 0.00 46.19 43.33 2yro s LEU 23 CO 0.22 -0.54 1.27 0.59 0.23 0.00 0.00 176.35 178.12 2yro n ASN 24 N 5.77 -0.01 -4.34 2.29 3.02 -1.26 -4.33 115.26 116.39 2yro n ASN 24 Ca 0.09 1.37 -0.25 0.00 -0.03 0.00 0.00 54.58 55.75 2yro n ASN 24 Cb 0.47 -0.54 -0.12 0.00 -0.61 0.00 0.00 39.78 38.99 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2yro s THR 25 N -5.63 1.96 -0.03 3.41 -4.23 -1.26 -5.11 115.64 104.75 2yro s THR 25 Ca -0.10 -1.76 -0.30 0.00 -1.18 0.00 0.00 61.69 58.35 2yro s THR 25 Cb 0.25 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 72.22 2yro s THR 25 CO 0.63 -0.10 1.48 -2.16 -0.54 0.00 0.00 174.62 173.93 2yro s PRO 26 N -2.28 4.24 0.55 3.99 0.04 -1.26 -4.78 135.00 135.50 2yro s PRO 26 Ca 0.13 2.02 -0.09 0.00 0.04 0.00 0.00 61.00 63.09 2yro s PRO 26 Cb -0.09 -3.72 0.13 0.00 0.04 0.00 0.00 34.50 30.87 2yro s PRO 26 CO 0.06 -0.69 0.60 0.00 0.04 0.00 0.00 177.00 177.02 2yro n MET 27 N 6.07 -1.36 0.00 4.56 0.00 -0.06 -4.85 117.12 121.48 2yro n MET 27 Ca 0.15 -0.95 0.00 0.00 0.00 0.00 0.00 57.70 56.90 2yro n MET 27 Cb 0.43 -0.75 0.00 0.00 0.00 0.00 0.00 33.22 32.90 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 -0.23 -0.55 3.77 3.17 0.00 -1.24 -3.57 105.19 106.54 2yro n GLY 28 Ca 0.08 -0.43 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 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 3.73 0.00 1.61 0.04 -1.26 -3.06 135.00 134.28 2yro s PRO 29 Ca 0.00 1.76 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2yro s PRO 29 Cb 0.00 -2.37 0.00 0.00 0.04 0.00 0.00 34.50 32.17 2yro s PRO 29 CO 0.00 -0.57 0.00 0.41 0.04 0.00 0.00 177.00 176.88 2yro n GLY 30 N 0.42 2.87 3.82 0.56 0.00 0.32 -4.97 105.19 108.20 2yro n GLY 30 Ca 0.08 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.05 4.01 -0.23 1.61 1.81 -1.17 -4.43 118.95 120.49 2yro s ARG 31 Ca 0.00 1.15 -0.02 0.00 -1.72 0.00 0.00 55.73 55.15 2yro s ARG 31 Cb 0.00 -2.14 0.07 0.00 -0.45 0.00 0.00 34.95 32.43 2yro s ARG 31 CO 0.00 -0.23 0.04 0.99 -0.68 0.00 0.00 175.30 175.42 2yro s THR 32 N -2.23 0.77 -0.37 0.02 2.01 -1.08 -3.17 115.64 111.59 2yro s THR 32 Ca 0.63 -0.89 -0.12 0.00 0.31 0.00 0.00 61.69 61.61 2yro s THR 32 Cb -0.11 -1.33 0.01 0.00 0.01 0.00 0.00 72.50 71.08 2yro s THR 32 CO 0.20 -0.32 0.23 -0.69 -0.69 0.00 0.00 174.62 173.34 2yro s VAL 33 N 1.72 4.88 0.15 3.82 1.01 -0.50 -2.15 120.40 129.33 2yro s VAL 33 Ca 0.01 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.39 2yro s VAL 33 Cb -0.17 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2yro s VAL 33 CO -0.13 -0.17 0.21 0.68 0.00 0.00 0.00 175.10 175.70 2yro s VAL 34 N 1.63 4.96 -0.31 2.92 -7.23 -0.68 -0.91 120.40 120.78 2yro s VAL 34 Ca 0.04 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 2yro s VAL 34 Cb -0.18 -3.54 0.09 0.00 0.56 0.00 0.00 36.38 33.31 2yro s VAL 34 CO 0.08 -0.08 0.06 -0.69 -0.31 0.00 0.00 175.10 174.16 2yro s VAL 35 N -1.73 1.49 -0.29 1.32 1.01 0.34 -3.36 120.40 119.18 2yro s VAL 35 Ca 0.33 -1.72 -0.16 0.00 0.00 0.00 0.00 61.98 60.42 2yro s VAL 35 Cb -0.11 -2.06 -0.02 0.00 0.00 0.00 0.00 36.38 34.18 2yro s VAL 35 CO 0.26 -0.56 0.43 -0.54 0.00 0.00 0.00 175.10 174.69 2yro s LYS 36 N 1.32 3.89 0.00 2.72 1.02 -1.13 -2.83 119.74 124.73 2yro s LYS 36 Ca 0.08 0.01 0.00 0.00 0.02 0.00 0.00 55.97 56.08 2yro s LYS 36 Cb -0.18 -3.70 0.00 0.00 -0.52 0.00 0.00 37.83 33.42 2yro s LYS 36 CO -0.16 -0.40 0.00 0.41 -0.92 0.00 0.00 175.35 174.28 2yro n GLY 37 N 4.68 1.95 3.14 -3.33 0.00 -1.24 -2.31 105.19 108.09 2yro n GLY 37 Ca -0.07 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.89 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 -1.63 0.62 0.04 1.61 2.02 -0.24 -3.27 118.70 117.85 2yro s GLU 38 Ca 0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 54.97 54.35 2yro s GLU 38 Cb 0.00 0.25 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 2yro s GLU 38 CO 0.00 -0.17 0.22 0.08 0.02 0.00 0.00 175.26 175.41 2yro s VAL 39 N -2.36 5.38 0.37 2.63 1.01 -0.20 -0.45 120.40 126.78 2yro s VAL 39 Ca -0.07 -0.28 -0.15 0.00 0.00 0.00 0.00 61.98 61.48 2yro s VAL 39 Cb -0.02 -3.60 -0.09 0.00 0.00 0.00 0.00 36.38 32.67 2yro s VAL 39 CO -0.03 0.19 0.80 0.20 0.00 0.00 0.00 175.10 176.26 2yro s ASN 40 N -2.32 6.75 0.30 3.32 0.01 -1.26 -1.28 114.94 120.47 2yro s ASN 40 Ca 0.33 1.36 0.02 0.00 -0.71 0.00 0.00 52.86 53.86 2yro s ASN 40 Cb -0.13 -2.41 0.59 0.00 0.41 0.00 0.00 41.25 39.72 2yro s ASN 40 CO 0.25 -0.30 1.88 0.00 -1.51 0.00 0.00 177.10 177.42 2yro h ALA 41 N 1.92 1.58 -0.64 0.60 0.00 -1.93 -1.64 119.26 119.15 2yro h ALA 41 Ca -0.48 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.03 2yro h ALA 41 Cb 1.18 -0.22 -0.24 0.00 0.00 0.00 0.00 17.79 18.50 2yro h ALA 41 CO 0.64 0.23 -0.01 0.09 0.00 0.00 0.00 179.25 180.20 2yro n ASN 42 N -4.55 4.25 -4.69 0.00 3.02 -1.26 -4.68 115.26 107.36 2yro n ASN 42 Ca 0.16 -3.77 -0.42 0.00 -0.03 0.00 0.00 54.58 50.52 2yro n ASN 42 Cb 0.30 -0.65 -0.03 0.00 -0.61 0.00 0.00 39.78 38.79 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2yro s ALA 43 N -3.47 3.40 -0.01 5.41 0.00 -0.64 -4.98 121.76 121.48 2yro s ALA 43 Ca 0.51 0.33 -0.14 0.00 0.00 0.00 0.00 51.96 52.66 2yro s ALA 43 Cb 0.44 -3.38 -0.08 0.00 0.00 0.00 0.00 23.12 20.10 2yro s ALA 43 CO 0.01 -0.56 0.75 -0.22 0.00 0.00 0.00 175.76 175.74 2yro h LYS 44 N 7.09 -0.49 -1.46 0.00 3.64 -1.90 -3.46 116.57 119.99 2yro h LYS 44 Ca -0.32 0.03 0.23 0.00 -1.27 0.00 0.00 60.65 59.32 2yro h LYS 44 Cb 1.15 0.11 -0.20 0.00 -0.41 0.00 0.00 32.23 32.88 2yro h LYS 44 CO 0.84 -0.32 0.79 -1.54 -2.27 0.00 0.00 179.45 176.95 2yro s SER 45 N -4.00 -0.15 0.50 4.20 1.04 -1.26 -3.40 113.70 110.62 2yro s SER 45 Ca -0.07 0.05 0.01 0.00 0.48 0.00 0.00 55.95 56.42 2yro s SER 45 Cb 0.01 0.15 -0.01 0.00 0.10 0.00 0.00 66.02 66.27 2yro s SER 45 CO 0.22 -0.23 0.04 0.72 0.98 0.00 0.00 173.24 174.97 2yro s PHE 46 N -2.11 1.78 -0.08 5.02 -0.71 -1.26 -2.35 117.98 118.26 2yro s PHE 46 Ca 0.08 -1.09 -0.30 0.00 -1.04 0.00 0.00 56.93 54.57 2yro s PHE 46 Cb -0.01 -1.47 0.07 0.00 -1.21 0.00 0.00 43.02 40.41 2yro s PHE 46 CO -0.05 0.05 0.70 0.54 -1.34 0.00 0.00 175.22 175.12 2yro s ASN 47 N -3.83 -0.65 -0.32 1.98 4.22 -0.08 -2.96 114.94 113.31 2yro s ASN 47 Ca 0.07 0.78 0.01 0.00 -2.14 0.00 0.00 52.86 51.58 2yro s ASN 47 Cb 0.01 0.62 0.10 0.00 1.28 0.00 0.00 41.25 43.26 2yro s ASN 47 CO 0.05 -0.56 0.07 -0.69 -2.04 0.00 0.00 177.10 173.93 2yro s VAL 48 N -1.02 1.41 -0.30 3.54 1.01 -0.84 -2.10 120.40 122.10 2yro s VAL 48 Ca -0.09 -1.72 -0.19 0.00 0.00 0.00 0.00 61.98 59.97 2yro s VAL 48 Cb -0.01 -2.03 -0.01 0.00 0.00 0.00 0.00 36.38 34.33 2yro s VAL 48 CO 0.09 -0.62 0.58 -1.81 0.00 0.00 0.00 175.10 173.34 2yro s ASP 49 N 1.35 6.45 -0.34 3.32 1.01 0.11 -3.23 116.67 125.35 2yro s ASP 49 Ca 0.09 0.40 -0.05 0.00 0.71 0.00 0.00 52.55 53.71 2yro s ASP 49 Cb -0.18 -2.31 0.06 0.00 1.01 0.00 0.00 42.92 41.50 2yro s ASP 49 CO -0.18 -0.42 0.10 -0.22 0.21 0.00 0.00 175.17 174.66 2yro s LEU 50 N 2.48 4.40 0.44 1.23 2.96 -0.82 -1.58 118.68 127.78 2yro s LEU 50 Ca 0.23 -1.35 0.04 0.00 -0.22 0.00 0.00 54.13 52.82 2yro s LEU 50 Cb -0.15 -1.82 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 2yro s LEU 50 CO 0.11 -0.36 0.04 -1.48 -1.32 0.00 0.00 176.35 173.34 2yro s LEU 51 N 1.31 2.36 -0.19 -0.68 0.05 -1.25 -1.02 118.68 119.27 2yro s LEU 51 Ca -0.01 -1.55 -0.02 0.00 0.05 0.00 0.00 54.13 52.61 2yro s LEU 51 Cb -0.20 -0.59 -0.00 0.00 -2.05 0.00 0.00 46.19 43.34 2yro s LEU 51 CO 0.00 -0.73 -0.10 0.00 -0.55 0.00 0.00 176.35 174.97 2yro s ALA 52 N -2.97 2.66 0.60 1.48 0.00 -0.13 -3.22 121.76 120.17 2yro s ALA 52 Ca 0.21 -1.10 0.29 0.00 0.00 0.00 0.00 51.96 51.37 2yro s ALA 52 Cb 0.05 -1.45 1.54 0.00 0.00 0.00 0.00 23.12 23.26 2yro s ALA 52 CO 0.11 -0.21 1.95 0.78 0.00 0.00 0.00 175.76 178.38 2yro h GLY 53 N 7.66 0.00 0.39 0.00 0.00 -1.81 0.83 103.07 110.14 2yro h GLY 53 Ca -0.38 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 46.94 2yro h GLY 53 CO 0.60 0.00 -0.43 1.70 0.00 0.00 0.00 176.54 178.41 2yro h LYS 54 N 0.00 -0.79 -0.10 4.80 1.63 -1.94 -3.30 116.57 116.87 2yro h LYS 54 Ca 0.15 0.05 -0.09 0.00 -0.85 0.00 0.00 60.65 59.91 2yro h LYS 54 Cb 0.94 0.18 -0.11 0.00 -0.60 0.00 0.00 32.23 32.63 2yro h LYS 54 CO -0.00 -0.53 -0.63 0.43 -3.45 0.00 0.00 179.45 175.27 2yro n SER 55 N -4.99 1.98 -3.47 4.20 7.64 -0.96 -4.97 113.62 113.04 2yro n SER 55 Ca -0.10 -3.58 -0.23 0.00 1.01 0.00 0.00 58.87 55.98 2yro n SER 55 Cb 0.38 -0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.05 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 -0.83 -0.89 -3.99 1.43 4.76 0.28 -4.85 118.16 114.08 2yro n LYS 56 Ca 0.20 0.07 -0.35 0.00 -2.87 0.00 0.00 58.31 55.36 2yro n LYS 56 Cb 0.79 -2.57 -0.09 0.00 -1.84 0.00 0.00 35.03 31.32 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 -3.04 5.68 -0.89 4.39 1.01 -1.18 -4.80 116.67 117.85 2yro s ASP 57 Ca 0.28 0.10 -0.25 0.00 0.71 0.00 0.00 52.55 53.39 2yro s ASP 57 Cb -0.16 -1.97 0.04 0.00 1.01 0.00 0.00 42.92 41.84 2yro s ASP 57 CO 0.62 0.18 1.37 -0.63 0.21 0.00 0.00 175.17 176.93 2yro s ILE 58 N 0.31 3.82 0.24 0.77 1.01 -1.17 -0.96 121.20 125.22 2yro s ILE 58 Ca 0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 60.65 60.43 2yro s ILE 58 Cb -0.12 -4.99 0.21 0.00 0.01 0.00 0.00 42.46 37.58 2yro s ILE 58 CO -0.00 -1.90 1.85 0.00 0.00 0.00 0.00 174.94 174.89 2yro h ALA 59 N 9.93 1.18 -3.29 9.38 0.00 -1.37 -3.18 119.26 131.92 2yro h ALA 59 Ca -0.03 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.69 2yro h ALA 59 Cb 1.03 -0.23 -0.26 0.00 0.00 0.00 0.00 17.79 18.33 2yro h ALA 59 CO 1.36 0.27 -0.52 -1.17 0.00 0.00 0.00 179.25 179.19 2yro s LEU 60 N -10.21 1.38 -0.24 0.00 2.96 -1.09 -4.35 118.68 107.12 2yro s LEU 60 Ca -0.13 0.30 -0.03 0.00 -0.22 0.00 0.00 54.13 54.05 2yro s LEU 60 Cb 0.18 0.58 0.08 0.00 0.50 0.00 0.00 46.19 47.53 2yro s LEU 60 CO 0.79 -0.08 0.07 -2.28 -1.32 0.00 0.00 176.35 173.53 2yro s HIS 61 N -0.02 1.06 -0.32 5.38 5.65 -0.61 -1.95 115.29 124.48 2yro s HIS 61 Ca -0.01 -1.09 0.01 0.00 0.25 0.00 0.00 55.06 54.22 2yro s HIS 61 Cb -0.02 -1.19 0.08 0.00 -1.18 0.00 0.00 32.58 30.27 2yro s HIS 61 CO 0.00 -0.72 0.02 -0.51 -0.65 0.00 0.00 174.74 172.88 2yro s LEU 62 N 1.84 4.27 -0.38 8.88 1.43 -1.20 -1.94 118.68 131.59 2yro s LEU 62 Ca 0.04 -1.69 0.01 0.00 -1.03 0.00 0.00 54.13 51.46 2yro s LEU 62 Cb -0.17 -1.67 0.11 0.00 0.03 0.00 0.00 46.19 44.49 2yro s LEU 62 CO -0.18 -0.33 0.13 0.21 0.23 0.00 0.00 176.35 176.41 2yro s ASN 63 N 1.23 4.98 0.93 2.29 3.04 -0.87 -1.98 114.94 124.56 2yro s ASN 63 Ca 0.01 -2.14 -0.12 0.00 0.04 0.00 0.00 52.86 50.65 2yro s ASN 63 Cb -0.20 -1.72 0.15 0.00 -1.54 0.00 0.00 41.25 37.94 2yro s ASN 63 CO -0.05 -0.45 1.09 -2.16 -3.04 0.00 0.00 177.10 172.50 2yro s PRO 64 N 0.95 0.95 -0.10 0.43 0.04 -1.15 -2.57 135.00 133.54 2yro s PRO 64 Ca 0.10 0.71 -0.05 0.00 0.04 0.00 0.00 61.00 61.80 2yro s PRO 64 Cb -0.21 -1.78 0.05 0.00 0.04 0.00 0.00 34.50 32.60 2yro s PRO 64 CO -0.06 -2.43 0.23 1.03 0.04 0.00 0.00 177.00 175.81 2yro s ARG 65 N -4.95 0.16 -0.12 4.56 0.52 0.24 -4.04 118.95 115.33 2yro s ARG 65 Ca 0.64 0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 56.39 2yro s ARG 65 Cb -0.18 -0.13 -0.25 0.00 0.52 0.00 0.00 34.95 34.92 2yro s ARG 65 CO 0.57 -0.20 0.37 1.28 0.02 0.00 0.00 175.30 177.34 2yro n LEU 66 N 4.52 2.19 -0.34 2.53 4.77 -1.22 -1.05 117.00 128.41 2yro n LEU 66 Ca -0.20 0.22 -0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2yro n LEU 66 Cb 0.52 -0.76 0.02 0.00 -2.33 0.00 0.00 43.42 40.87 2yro n LEU 66 CO 0.12 0.75 0.50 -3.20 -1.33 0.00 0.00 177.39 174.22 2yro n ASN 67 N -3.34 -0.60 -1.11 -1.43 2.85 -1.25 -1.55 115.26 108.82 2yro n ASN 67 Ca -0.30 1.51 0.01 0.00 -0.11 0.00 0.00 54.58 55.70 2yro n ASN 67 Cb 1.05 -0.33 0.13 0.00 1.24 0.00 0.00 39.78 41.87 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -2.11 0.00 0.00 177.26 177.45 2yro n ILE 68 N -5.26 1.67 -4.20 -1.44 -0.00 -1.26 -4.99 119.36 103.88 2yro n ILE 68 Ca 0.08 -2.81 -0.32 0.00 -0.00 0.00 0.00 62.75 59.70 2yro n ILE 68 Cb 0.33 0.03 -0.08 0.00 -0.00 0.00 0.00 39.64 39.93 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 -0.65 -0.83 -4.10 6.28 5.02 -0.60 -4.91 118.16 118.38 2yro n LYS 69 Ca 0.18 0.08 -0.35 0.00 -2.02 0.00 0.00 58.31 56.20 2yro n LYS 69 Cb 0.84 -3.21 -0.14 0.00 -0.02 0.00 0.00 35.03 32.50 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 -4.21 2.80 -0.52 7.82 0.00 -0.21 -4.77 121.76 122.67 2yro s ALA 70 Ca 0.07 -1.09 -0.17 0.00 0.00 0.00 0.00 51.96 50.78 2yro s ALA 70 Cb -0.04 -1.61 0.10 0.00 0.00 0.00 0.00 23.12 21.56 2yro s ALA 70 CO 0.94 -0.25 0.52 0.12 0.00 0.00 0.00 175.76 177.09 2yro s PHE 71 N 1.18 3.18 0.12 0.00 2.19 -1.26 -0.59 117.98 122.79 2yro s PHE 71 Ca 0.02 -1.02 -0.26 0.00 0.33 0.00 0.00 56.93 56.00 2yro s PHE 71 Cb -0.14 -3.61 -0.07 0.00 -1.31 0.00 0.00 43.02 37.89 2yro s PHE 71 CO -0.01 -1.00 0.81 0.08 1.83 0.00 0.00 175.22 176.92 2yro s VAL 72 N 1.94 4.50 -0.08 3.12 1.01 -1.06 -4.05 120.40 125.78 2yro s VAL 72 Ca 0.06 1.75 -0.04 0.00 0.00 0.00 0.00 61.98 63.76 2yro s VAL 72 Cb -0.26 -4.17 0.04 0.00 0.00 0.00 0.00 36.38 32.00 2yro s VAL 72 CO 0.06 0.44 0.18 0.00 0.00 0.00 0.00 175.10 175.77 2yro s ARG 73 N -0.59 0.11 0.22 2.72 1.70 -1.26 -2.05 118.95 119.79 2yro s ARG 73 Ca 0.39 0.47 -0.21 0.00 -0.47 0.00 0.00 55.73 55.90 2yro s ARG 73 Cb -0.22 -0.18 0.07 0.00 -0.57 0.00 0.00 34.95 34.05 2yro s ARG 73 CO 0.26 -0.20 0.98 1.21 -1.08 0.00 0.00 175.30 176.46 2yro s ASN 74 N 1.50 -0.03 0.08 -2.89 2.47 -0.82 -3.33 114.94 111.93 2yro s ASN 74 Ca -0.06 -0.72 0.04 0.00 0.42 0.00 0.00 52.86 52.55 2yro s ASN 74 Cb -0.11 0.57 -0.03 0.00 -1.45 0.00 0.00 41.25 40.22 2yro s ASN 74 CO -0.07 -1.11 -0.12 -0.44 -3.72 0.00 0.00 177.10 171.64 2yro s SER 75 N -3.26 1.52 -0.35 -4.21 0.01 -1.26 -1.57 113.70 104.58 2yro s SER 75 Ca 0.19 -0.68 0.03 0.00 1.31 0.00 0.00 55.95 56.80 2yro s SER 75 Cb -0.03 -0.02 0.10 0.00 0.21 0.00 0.00 66.02 66.28 2yro s SER 75 CO 0.06 -0.15 0.08 0.12 0.41 0.00 0.00 173.24 173.75 2yro s PHE 76 N -1.69 3.18 0.06 2.43 5.36 -1.20 -1.76 117.98 124.35 2yro s PHE 76 Ca -0.00 -2.69 0.07 0.00 -0.96 0.00 0.00 56.93 53.35 2yro s PHE 76 Cb -0.08 -2.60 -0.03 0.00 -0.34 0.00 0.00 43.02 39.98 2yro s PHE 76 CO 0.01 -0.92 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.15 2yro s LEU 77 N 1.00 2.20 -1.60 6.12 1.43 -0.81 -3.05 118.68 123.97 2yro s LEU 77 Ca 0.11 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.51 2yro s LEU 77 Cb -0.19 -0.92 0.11 0.00 0.03 0.00 0.00 46.19 45.21 2yro s LEU 77 CO -0.12 0.12 0.77 0.00 0.23 0.00 0.00 176.35 177.36 2yro n GLN 78 N 1.64 -3.82 -3.76 1.70 6.02 -1.26 -0.08 117.38 117.82 2yro n GLN 78 Ca -0.18 0.44 -0.29 0.00 -0.01 0.00 0.00 57.00 56.96 2yro n GLN 78 Cb 0.53 -5.10 0.02 0.00 1.02 0.00 0.00 30.24 26.72 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 -4.46 -5.08 -3.73 -1.09 1.02 -1.26 -4.96 120.64 101.08 2yro n GLU 79 Ca -0.01 0.60 -0.14 0.00 -0.02 0.00 0.00 57.16 57.59 2yro n GLU 79 Cb 0.54 -5.46 -0.14 0.00 -0.02 0.00 0.00 31.44 26.36 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 -3.15 0.04 0.02 1.62 0.01 0.88 -5.14 113.70 107.98 2yro s SER 80 Ca 0.60 0.34 -0.25 0.00 1.31 0.00 0.00 55.95 57.95 2yro s SER 80 Cb -0.30 0.25 -0.05 0.00 0.21 0.00 0.00 66.02 66.13 2yro s SER 80 CO 0.74 -0.17 0.76 0.26 0.41 0.00 0.00 173.24 175.24 2yro s TRP 81 N 1.42 3.70 0.00 2.43 0.52 -1.26 -1.92 118.94 123.83 2yro s TRP 81 Ca -0.07 1.44 0.00 0.00 0.02 0.00 0.00 56.10 57.49 2yro s TRP 81 Cb -0.12 -2.83 0.00 0.00 -1.15 0.00 0.00 33.47 29.37 2yro s TRP 81 CO -0.06 0.22 0.00 0.41 0.02 0.00 0.00 176.95 177.54 2yro n GLY 82 N 2.55 -0.78 3.21 0.98 0.00 -0.72 -4.97 105.19 105.47 2yro n GLY 82 Ca -0.02 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.04 2yro n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 83 N 0.00 2.44 -0.15 1.61 2.02 -1.26 -4.95 118.70 118.41 2yro s GLU 83 Ca 0.00 -1.37 -0.21 0.00 0.02 0.00 0.00 54.97 53.41 2yro s GLU 83 Cb 0.00 -3.45 -0.03 0.00 0.10 0.00 0.00 34.13 30.75 2yro s GLU 83 CO 0.00 -0.77 0.62 -1.83 0.02 0.00 0.00 175.26 173.29 2yro s GLU 84 N 1.31 4.29 -0.17 1.61 4.04 -1.26 -4.74 118.70 123.78 2yro s GLU 84 Ca -0.00 0.64 -0.09 0.00 0.04 0.00 0.00 54.97 55.57 2yro s GLU 84 Cb -0.21 -3.52 0.06 0.00 0.02 0.00 0.00 34.13 30.49 2yro s GLU 84 CO 0.00 -0.09 0.40 -1.21 -1.84 0.00 0.00 175.26 172.52 2yro s GLU 85 N 1.41 0.36 -1.04 -4.83 2.02 -1.21 -4.97 118.70 110.44 2yro s GLU 85 Ca 0.30 0.81 -0.24 0.00 0.02 0.00 0.00 54.97 55.86 2yro s GLU 85 Cb -0.16 0.02 -0.09 0.00 0.10 0.00 0.00 34.13 34.00 2yro s GLU 85 CO 0.12 -0.18 2.00 1.03 0.02 0.00 0.00 175.26 178.25 2yro s ARG 86 N 1.60 2.29 -0.83 1.61 3.00 -1.26 -4.34 118.95 121.02 2yro s ARG 86 Ca -0.08 -0.63 -0.08 0.00 0.00 0.00 0.00 55.73 54.94 2yro s ARG 86 Cb -0.09 -5.11 0.21 0.00 0.00 0.00 0.00 34.95 29.96 2yro s ARG 86 CO -0.12 -3.98 0.74 1.21 0.00 0.00 0.00 175.30 173.14 2yro s ASN 87 N 7.65 6.29 -0.13 0.23 2.47 -1.26 -4.91 114.94 125.28 2yro s ASN 87 Ca 0.73 -3.08 -0.07 0.00 0.42 0.00 0.00 52.86 50.85 2yro s ASN 87 Cb -0.04 -2.06 0.05 0.00 -1.45 0.00 0.00 41.25 37.75 2yro s ASN 87 CO 0.08 -0.40 0.31 -0.51 -3.72 0.00 0.00 177.10 172.87 2yro s ILE 88 N -0.42 -0.04 0.15 -5.21 2.07 -1.26 -4.57 121.20 111.92 2yro s ILE 88 Ca 0.22 0.13 -0.18 0.00 -1.41 0.00 0.00 60.65 59.40 2yro s ILE 88 Cb -0.12 -0.47 0.03 0.00 0.13 0.00 0.00 42.46 42.03 2yro s ILE 88 CO -0.08 0.05 1.70 0.00 -1.91 0.00 0.00 174.94 174.70 2yro h THR 89 N 5.75 0.73 -3.32 4.00 1.03 -1.95 -3.44 112.91 115.70 2yro h THR 89 Ca -0.39 -0.01 -0.10 0.00 -0.01 0.00 0.00 66.41 65.89 2yro h THR 89 Cb 1.17 0.68 -0.18 0.00 -1.07 0.00 0.00 68.15 68.75 2yro h THR 89 CO 0.34 0.01 -0.29 -0.44 -0.01 0.00 0.00 175.52 175.13 2yro s SER 90 N -5.23 -0.10 -0.62 0.00 0.01 -1.26 -5.12 113.70 101.38 2yro s SER 90 Ca -0.13 -0.18 -0.12 0.00 1.31 0.00 0.00 55.95 56.82 2yro s SER 90 Cb 0.12 0.33 0.16 0.00 0.21 0.00 0.00 66.02 66.84 2yro s SER 90 CO 0.70 -0.57 0.54 0.12 0.41 0.00 0.00 173.24 174.44 2yro s PHE 91 N -2.31 3.47 -0.02 2.43 5.36 -1.26 -4.93 117.98 120.72 2yro s PHE 91 Ca -0.07 -1.80 -0.26 0.00 -0.96 0.00 0.00 56.93 53.85 2yro s PHE 91 Cb -0.02 -3.67 -0.20 0.00 -0.34 0.00 0.00 43.02 38.79 2yro s PHE 91 CO -0.02 -0.99 1.26 -1.00 -1.46 0.00 0.00 175.22 173.02 2yro h PRO 92 N 8.25 -0.00 -3.46 10.12 0.13 -1.98 -3.46 132.00 141.60 2yro h PRO 92 Ca -0.12 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.53 2yro h PRO 92 Cb 1.06 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.21 2yro h PRO 92 CO 0.87 0.48 0.21 1.19 -0.23 0.00 0.00 178.00 180.52 2yro n PHE 93 N -4.86 0.68 -3.87 1.56 3.72 -1.26 -4.93 117.46 108.50 2yro n PHE 93 Ca -0.08 0.64 -0.11 0.00 -0.05 0.00 0.00 57.45 57.84 2yro n PHE 93 Cb 0.25 -1.24 -0.10 0.00 -0.94 0.00 0.00 39.48 37.45 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 0.82 0.01 -0.00 4.37 0.01 -1.26 -4.93 113.70 112.72 2yro s SER 94 Ca 0.56 -0.18 -0.30 0.00 1.31 0.00 0.00 55.95 57.34 2yro s SER 94 Cb -0.80 0.21 -0.06 0.00 0.21 0.00 0.00 66.02 65.59 2yro s SER 94 CO 0.40 -0.36 1.45 -2.16 0.41 0.00 0.00 173.24 172.98 2yro s PRO 95 N -1.31 4.26 0.00 12.44 0.04 -1.26 -3.42 135.00 145.74 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 -3.63 0.00 0.00 0.04 0.00 0.00 34.50 30.84 2yro s PRO 95 CO 0.02 -0.63 0.00 0.41 0.04 0.00 0.00 177.00 176.84 2yro n GLY 96 N 3.74 0.68 3.47 0.56 0.00 -0.40 -4.62 105.19 108.62 2yro n GLY 96 Ca 0.14 -0.55 -0.12 0.00 0.00 0.00 0.00 46.02 45.49 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 -4.26 1.66 -0.19 1.61 0.23 -1.21 -4.94 119.30 112.19 2yro s MET 97 Ca 0.00 -1.56 -0.04 0.00 -1.03 0.00 0.00 55.69 53.06 2yro s MET 97 Cb 0.00 0.42 -0.02 0.00 -1.53 0.00 0.00 34.83 33.70 2yro s MET 97 CO 0.00 -0.67 -0.03 -0.47 -2.03 0.00 0.00 175.02 171.82 2yro s TYR 98 N -3.58 2.98 -0.01 3.16 6.14 -1.26 -1.03 117.35 123.75 2yro s TYR 98 Ca 0.29 -0.63 0.07 0.00 0.64 0.00 0.00 57.07 57.44 2yro s TYR 98 Cb 0.01 -2.05 -0.02 0.00 0.42 0.00 0.00 41.96 40.32 2yro s TYR 98 CO 0.15 -0.32 -0.21 -0.59 0.64 0.00 0.00 175.55 175.22 2yro s PHE 99 N 1.03 1.87 -0.22 4.97 -0.12 -1.20 -4.93 117.98 119.36 2yro s PHE 99 Ca 0.01 -0.36 0.02 0.00 -0.05 0.00 0.00 56.93 56.55 2yro s PHE 99 Cb -0.15 -1.19 0.05 0.00 -0.63 0.00 0.00 43.02 41.10 2yro s PHE 99 CO 0.01 -0.02 -0.11 -2.00 -0.05 0.00 0.00 175.22 173.05 2yro s GLU 100 N -0.58 2.21 -0.26 1.99 2.12 -1.26 -3.59 118.70 119.33 2yro s GLU 100 Ca 0.08 -1.06 -0.12 0.00 0.36 0.00 0.00 54.97 54.23 2yro s GLU 100 Cb -0.08 -2.65 -0.05 0.00 0.26 0.00 0.00 34.13 31.62 2yro s GLU 100 CO -0.00 -0.47 0.25 1.41 -0.54 0.00 0.00 175.26 175.91 2yro s MET 101 N 1.26 4.03 -0.23 4.30 -2.45 -1.13 -2.60 119.30 122.49 2yro s MET 101 Ca -0.04 -0.15 -0.05 0.00 -1.25 0.00 0.00 55.69 54.20 2yro s MET 101 Cb -0.18 -3.61 -0.02 0.00 1.25 0.00 0.00 34.83 32.28 2yro s MET 101 CO -0.07 -0.12 0.00 0.42 1.05 0.00 0.00 175.02 176.30 2yro s ILE 102 N 1.57 3.75 -0.43 10.11 1.01 -0.49 -0.51 121.20 136.22 2yro s ILE 102 Ca 0.11 -0.36 -0.08 0.00 0.00 0.00 0.00 60.65 60.31 2yro s ILE 102 Cb -0.15 -2.72 0.09 0.00 0.01 0.00 0.00 42.46 39.69 2yro s ILE 102 CO 0.08 0.39 0.27 -0.63 0.00 0.00 0.00 174.94 175.06 2yro s ILE 103 N 1.47 4.08 0.02 2.92 1.01 -0.09 -2.58 121.20 128.03 2yro s ILE 103 Ca 0.05 -1.58 0.02 0.00 0.00 0.00 0.00 60.65 59.15 2yro s ILE 103 Cb -0.15 -3.58 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2yro s ILE 103 CO -0.00 -0.59 -0.00 -0.47 0.00 0.00 0.00 174.94 173.87 2yro s TYR 104 N 1.37 3.04 -0.34 3.97 5.04 -1.16 -1.41 117.35 127.86 2yro s TYR 104 Ca 0.04 0.05 0.03 0.00 -2.44 0.00 0.00 57.07 54.74 2yro s TYR 104 Cb -0.24 -1.64 0.09 0.00 0.35 0.00 0.00 41.96 40.53 2yro s TYR 104 CO 0.00 0.46 0.05 0.00 -1.34 0.00 0.00 175.55 174.73 2yro n ASP 106 N 4.34 3.46 -1.86 0.00 -0.08 -1.25 -0.52 116.55 120.64 2yro n ASP 106 Ca 0.00 -2.96 -0.09 0.00 -1.51 0.00 0.00 54.79 50.23 2yro n ASP 106 Cb 0.42 -0.70 -0.02 0.00 2.34 0.00 0.00 41.12 43.16 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 -0.48 -0.21 0.00 5.18 0.31 -1.26 -4.57 118.33 117.30 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 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 33.08 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 -2.16 0.69 -3.60 5.55 5.12 -1.26 -5.11 116.66 115.89 2yro n ARG 108 Ca -0.10 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.79 2yro n ARG 108 Cb 0.44 -0.62 -0.02 0.00 -1.16 0.00 0.00 32.46 31.10 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 0.41 -0.52 5.56 1.03 -1.26 -4.04 118.70 118.63 2yro s GLU 109 Ca 0.00 -0.18 -0.21 0.00 0.03 0.00 0.00 54.97 54.61 2yro s GLU 109 Cb 0.00 0.17 0.05 0.00 -0.80 0.00 0.00 34.13 33.55 2yro s GLU 109 CO 0.00 -0.18 0.76 -0.06 -1.33 0.00 0.00 175.26 174.44 2yro s PHE 110 N -2.51 2.95 0.09 4.83 0.40 0.11 -3.86 117.98 119.99 2yro s PHE 110 Ca 0.11 -0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 56.05 2yro s PHE 110 Cb 0.01 -3.74 -0.06 0.00 0.51 0.00 0.00 43.02 39.74 2yro s PHE 110 CO -0.04 -1.15 0.44 0.15 0.70 0.00 0.00 175.22 175.32 2yro s LYS 111 N 3.18 3.81 -0.17 0.44 1.02 -1.14 -1.41 119.74 125.48 2yro s LYS 111 Ca 0.22 0.25 -0.05 0.00 0.02 0.00 0.00 55.97 56.42 2yro s LYS 111 Cb -0.16 -2.98 0.07 0.00 -0.52 0.00 0.00 37.83 34.23 2yro s LYS 111 CO 0.16 0.54 0.12 0.54 -0.92 0.00 0.00 175.35 175.79 2yro s VAL 112 N -1.41 -0.15 -0.10 3.17 0.11 -1.24 -2.98 120.40 117.79 2yro s VAL 112 Ca 0.34 -0.13 -0.01 0.00 -2.93 0.00 0.00 61.98 59.26 2yro s VAL 112 Cb -0.14 -0.58 -0.03 0.00 -1.53 0.00 0.00 36.38 34.10 2yro s VAL 112 CO 0.18 -0.24 -0.07 0.00 -3.33 0.00 0.00 175.10 171.64 2yro s ALA 113 N 2.19 2.92 -0.04 1.54 0.00 -1.07 -3.65 121.76 123.65 2yro s ALA 113 Ca 0.03 -0.87 0.07 0.00 0.00 0.00 0.00 51.96 51.19 2yro s ALA 113 Cb -0.16 -1.31 -0.01 0.00 0.00 0.00 0.00 23.12 21.64 2yro s ALA 113 CO -0.10 0.42 -0.25 0.08 0.00 0.00 0.00 175.76 175.91 2yro s VAL 114 N -0.28 2.03 -1.30 0.00 1.01 0.03 -1.40 120.40 120.50 2yro s VAL 114 Ca 0.04 -1.07 0.00 0.00 0.00 0.00 0.00 61.98 60.95 2yro s VAL 114 Cb -0.13 -1.70 0.00 0.00 0.00 0.00 0.00 36.38 34.55 2yro s VAL 114 CO 0.03 0.57 0.00 0.59 0.00 0.00 0.00 175.10 176.28 2yro n ASN 115 N 2.77 -4.41 0.00 3.32 3.02 -1.07 -1.81 115.26 117.08 2yro n ASN 115 Ca -0.17 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.54 2yro n ASN 115 Cb 0.52 -3.34 0.00 0.00 -0.61 0.00 0.00 39.78 36.34 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 -1.17 1.13 3.17 7.41 0.00 -1.26 -5.00 105.19 109.47 2yro n GLY 116 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 2yro n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2yro s VAL 117 N -3.82 1.62 0.65 1.61 0.11 -0.75 -5.09 120.40 114.72 2yro s VAL 117 Ca 0.00 -0.82 -0.15 0.00 -2.93 0.00 0.00 61.98 58.07 2yro s VAL 117 Cb 0.00 -1.38 -0.01 0.00 -1.53 0.00 0.00 36.38 33.46 2yro s VAL 117 CO 0.00 0.46 1.12 -2.28 -3.33 0.00 0.00 175.10 171.07 2yro s HIS 118 N -0.02 2.61 0.18 1.54 2.46 -1.26 -0.79 115.29 120.01 2yro s HIS 118 Ca -0.04 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.04 2yro s HIS 118 Cb -0.12 -3.19 0.00 0.00 -0.13 0.00 0.00 32.58 29.13 2yro s HIS 118 CO 0.03 -1.71 0.00 0.43 -2.47 0.00 0.00 174.74 171.02 2yro n SER 119 N -2.30 0.53 -4.08 9.88 7.64 -1.24 -4.84 113.62 119.21 2yro n SER 119 Ca 0.11 0.29 -0.10 0.00 1.01 0.00 0.00 58.87 60.17 2yro n SER 119 Cb 0.52 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.63 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 -6.94 1.20 0.43 -3.43 -0.00 -1.26 -4.13 118.68 104.55 2yro s LEU 120 Ca 0.00 -1.10 0.04 0.00 -0.00 0.00 0.00 54.13 53.06 2yro s LEU 120 Cb 0.00 0.78 -0.04 0.00 -0.00 0.00 0.00 46.19 46.93 2yro s LEU 120 CO 0.00 -0.85 0.04 -1.61 -0.00 0.00 0.00 176.35 173.92 2yro s GLU 121 N -4.04 1.98 -0.26 1.48 2.02 -1.26 -3.68 118.70 114.94 2yro s GLU 121 Ca 0.25 -2.19 -0.01 0.00 0.02 0.00 0.00 54.97 53.03 2yro s GLU 121 Cb 0.05 -1.26 0.14 0.00 0.10 0.00 0.00 34.13 33.16 2yro s GLU 121 CO 0.04 -0.27 0.37 -0.47 0.02 0.00 0.00 175.26 174.95 2yro s TYR 122 N -2.97 -0.80 0.32 1.61 6.14 -0.50 -5.01 117.35 116.14 2yro s TYR 122 Ca 0.23 0.51 -0.27 0.00 0.64 0.00 0.00 57.07 58.18 2yro s TYR 122 Cb 0.05 -0.12 -0.13 0.00 0.42 0.00 0.00 41.96 42.18 2yro s TYR 122 CO 0.11 -0.82 0.94 1.63 0.64 0.00 0.00 175.55 178.06 2yro n LYS 123 N 5.35 1.22 -1.52 4.97 4.76 -1.26 0.07 118.16 131.75 2yro n LYS 123 Ca -0.02 0.43 -0.36 0.00 -2.87 0.00 0.00 58.31 55.49 2yro n LYS 123 Cb 0.49 -1.81 -0.12 0.00 -1.84 0.00 0.00 35.03 31.75 2yro n LYS 123 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2yro n HIS 124 N -0.02 0.77 -0.03 2.13 8.25 -1.26 -4.67 115.22 120.39 2yro n HIS 124 Ca 0.10 0.24 -0.09 0.00 -0.26 0.00 0.00 57.72 57.71 2yro n HIS 124 Cb 0.34 -2.25 -0.08 0.00 1.12 0.00 0.00 29.99 29.12 2yro n HIS 124 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 2yro h ARG 125 N 14.04 -0.05 -5.98 -0.41 9.65 -1.83 -3.43 114.38 126.37 2yro h ARG 125 Ca -0.09 0.00 -0.61 0.00 -1.10 0.00 0.00 59.98 58.19 2yro h ARG 125 Cb 1.26 0.01 -0.11 0.00 -1.39 0.00 0.00 29.97 29.74 2yro h ARG 125 CO 1.33 0.51 0.49 0.12 2.80 0.00 0.00 179.97 185.22 2yro s PHE 126 N -2.37 3.01 0.13 2.20 5.36 -1.26 -4.95 117.98 120.10 2yro s PHE 126 Ca -0.12 0.45 -0.28 0.00 -0.96 0.00 0.00 56.93 56.02 2yro s PHE 126 Cb -0.01 -3.71 -0.05 0.00 -0.34 0.00 0.00 43.02 38.91 2yro s PHE 126 CO 0.44 -0.94 1.60 0.87 -1.46 0.00 0.00 175.22 175.73 2yro h LYS 127 N 8.80 -0.46 -5.98 10.12 1.79 -2.00 -3.36 116.57 125.48 2yro h LYS 127 Ca -0.24 0.03 -0.51 0.00 -2.18 0.00 0.00 60.65 57.75 2yro h LYS 127 Cb 1.08 0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 31.81 2yro h LYS 127 CO 0.98 -0.31 1.38 -2.00 -1.08 0.00 0.00 179.45 178.42 2yro s GLU 128 N -5.96 2.69 0.00 3.15 2.56 -1.26 -4.80 118.70 115.08 2yro s GLU 128 Ca -0.16 0.89 0.06 0.00 0.00 0.00 0.00 54.97 55.76 2yro s GLU 128 Cb 0.09 -4.38 -0.24 0.00 2.00 0.00 0.00 34.13 31.60 2yro s GLU 128 CO 0.65 -2.64 0.84 -0.07 -0.56 0.00 0.00 175.26 173.48 2yro h LEU 129 N 16.33 0.13 -2.21 2.70 3.38 -1.90 -3.32 115.31 130.44 2yro h LEU 129 Ca -0.27 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.40 2yro h LEU 129 Cb 1.18 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.83 2yro h LEU 129 CO 1.17 1.18 0.11 -0.24 0.09 0.00 0.00 178.44 180.75 2yro n SER 130 N -3.26 2.86 -0.05 -0.43 2.88 -1.23 -3.56 113.62 110.83 2yro n SER 130 Ca -0.14 -2.32 -0.06 0.00 -1.33 0.00 0.00 58.87 55.01 2yro n SER 130 Cb 1.02 -0.57 -0.05 0.00 -0.75 0.00 0.00 64.21 63.86 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 0.13 3.09 -4.54 -3.46 2.88 -1.25 -4.77 113.62 105.70 2yro n SER 131 Ca 0.12 -0.04 -0.33 0.00 -1.33 0.00 0.00 58.87 57.28 2yro n SER 131 Cb 0.68 0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 64.17 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 -2.67 -0.06 -1.72 2.46 5.41 -1.23 -4.28 119.36 117.27 2yro n ILE 132 Ca -0.17 -0.63 0.06 0.00 1.00 0.00 0.00 62.75 63.01 2yro n ILE 132 Cb 0.72 -2.24 0.17 0.00 -0.71 0.00 0.00 39.64 37.59 2yro n ILE 132 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2yro n ASP 133 N 15.13 1.61 -3.77 4.38 5.68 -1.26 -0.88 116.55 137.45 2yro n ASP 133 Ca 0.44 -3.54 -0.13 0.00 -0.50 0.00 0.00 54.79 51.06 2yro n ASP 133 Cb 0.43 -0.48 -0.09 0.00 -1.14 0.00 0.00 41.12 39.84 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 2yro s THR 134 N -2.67 0.05 -0.23 2.12 2.01 -1.20 -0.67 115.64 115.05 2yro s THR 134 Ca 0.37 -0.40 -0.04 0.00 0.31 0.00 0.00 61.69 61.93 2yro s THR 134 Cb 0.36 -0.56 0.08 0.00 0.01 0.00 0.00 72.50 72.39 2yro s THR 134 CO -0.08 -0.22 0.09 -0.22 -0.69 0.00 0.00 174.62 173.50 2yro s LEU 135 N -1.02 0.77 -0.28 4.42 2.96 -0.97 -3.78 118.68 120.77 2yro s LEU 135 Ca -0.11 -0.96 -0.08 0.00 -0.22 0.00 0.00 54.13 52.76 2yro s LEU 135 Cb -0.05 -0.41 -0.01 0.00 0.50 0.00 0.00 46.19 46.22 2yro s LEU 135 CO 0.03 -0.37 0.10 -1.61 -1.32 0.00 0.00 176.35 173.18 2yro s GLU 136 N 2.02 3.41 -0.06 1.98 2.02 -0.62 -3.17 118.70 124.28 2yro s GLU 136 Ca 0.04 -0.65 0.04 0.00 0.02 0.00 0.00 54.97 54.43 2yro s GLU 136 Cb -0.16 -3.41 -0.00 0.00 0.10 0.00 0.00 34.13 30.65 2yro s GLU 136 CO -0.19 -0.32 -0.20 0.42 0.02 0.00 0.00 175.26 174.98 2yro s ILE 137 N 1.59 1.72 0.02 -1.63 1.01 0.30 -0.71 121.20 123.49 2yro s ILE 137 Ca 0.05 -0.85 -0.14 0.00 0.00 0.00 0.00 60.65 59.71 2yro s ILE 137 Cb -0.16 -1.48 0.02 0.00 0.01 0.00 0.00 42.46 40.85 2yro s ILE 137 CO 0.04 0.48 0.30 0.21 0.00 0.00 0.00 174.94 175.98 2yro s ASN 138 N 0.15 -0.15 0.00 3.58 3.84 -0.89 0.42 114.94 121.89 2yro s ASN 138 Ca -0.09 -0.07 0.00 0.00 0.21 0.00 0.00 52.86 52.90 2yro s ASN 138 Cb -0.14 0.33 0.00 0.00 -0.55 0.00 0.00 41.25 40.89 2yro s ASN 138 CO 0.05 -0.54 0.00 0.61 -2.79 0.00 0.00 177.10 174.43 2yro n GLY 139 N 0.90 -0.59 2.25 1.21 0.00 -1.26 -0.90 105.19 106.79 2yro n GLY 139 Ca -0.20 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.40 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 0.33 6.24 -4.46 1.61 8.00 -0.99 -4.96 116.55 122.32 2yro n ASP 140 Ca 0.00 -3.77 -0.23 0.00 0.71 0.00 0.00 54.79 51.50 2yro n ASP 140 Cb 0.00 -0.66 -0.10 0.00 -0.02 0.00 0.00 41.12 40.33 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 -4.80 2.08 -0.38 0.53 -5.25 -1.26 -4.17 121.20 107.94 2yro s ILE 141 Ca 0.57 -2.25 -0.15 0.00 -0.99 0.00 0.00 60.65 57.82 2yro s ILE 141 Cb 0.45 -2.38 0.00 0.00 2.95 0.00 0.00 42.46 43.48 2yro s ILE 141 CO -0.03 -0.36 0.36 -2.28 -1.79 0.00 0.00 174.94 170.84 2yro s HIS 142 N -2.74 3.21 0.11 1.37 5.65 0.40 -4.87 115.29 118.41 2yro s HIS 142 Ca 0.29 -0.28 -0.26 0.00 0.25 0.00 0.00 55.06 55.06 2yro s HIS 142 Cb -0.00 -2.70 -0.07 0.00 -1.18 0.00 0.00 32.58 28.64 2yro s HIS 142 CO 0.13 -0.54 0.82 -1.17 -0.65 0.00 0.00 174.74 173.33 2yro s LEU 143 N 1.94 4.52 -0.16 8.88 2.96 -1.26 -1.08 118.68 134.47 2yro s LEU 143 Ca 0.10 1.60 -0.16 0.00 -0.22 0.00 0.00 54.13 55.45 2yro s LEU 143 Cb -0.17 -3.34 -0.06 0.00 0.50 0.00 0.00 46.19 43.12 2yro s LEU 143 CO 0.12 0.07 -0.31 0.18 -1.32 0.00 0.00 176.35 175.09 2yro n LEU 144 N 2.35 1.84 -3.59 -0.68 4.77 -0.98 -3.89 117.00 116.82 2yro n LEU 144 Ca -0.03 0.31 -0.07 0.00 -0.03 0.00 0.00 56.01 56.19 2yro n LEU 144 Cb 0.49 -0.70 -0.04 0.00 -2.33 0.00 0.00 43.42 40.84 2yro n LEU 144 CO 0.48 -0.23 0.90 -0.70 -1.33 0.00 0.00 177.39 176.50 2yro s GLU 145 N -2.77 0.44 -0.12 3.23 2.12 -1.12 -3.72 118.70 116.76 2yro s GLU 145 Ca -0.27 0.02 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2yro s GLU 145 Cb 0.05 0.21 -0.01 0.00 0.26 0.00 0.00 34.13 34.63 2yro s GLU 145 CO 0.39 -0.15 -0.17 0.08 -0.54 0.00 0.00 175.26 174.86 2yro s VAL 146 N -1.51 2.67 -0.03 3.70 1.01 -1.26 -2.83 120.40 122.16 2yro s VAL 146 Ca 0.03 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.26 2yro s VAL 146 Cb -0.01 -2.09 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2yro s VAL 146 CO -0.03 0.54 -0.17 -0.13 0.00 0.00 0.00 175.10 175.31 2yro s ARG 147 N 0.33 2.37 -0.24 2.72 0.52 -1.21 -5.02 118.95 118.43 2yro s ARG 147 Ca -0.14 -0.78 -0.02 0.00 -0.52 0.00 0.00 55.73 54.27 2yro s ARG 147 Cb -0.17 -2.30 0.07 0.00 0.52 0.00 0.00 34.95 33.08 2yro s ARG 147 CO 0.07 0.60 0.05 -1.54 0.02 0.00 0.00 175.30 174.50 2yro s SER 148 N -0.84 3.32 -0.04 0.23 1.04 -1.26 -1.68 113.70 114.46 2yro s SER 148 Ca 0.12 -1.10 0.01 0.00 0.48 0.00 0.00 55.95 55.46 2yro s SER 148 Cb -0.10 -0.68 0.02 0.00 0.10 0.00 0.00 66.02 65.35 2yro s SER 148 CO 0.01 -0.34 -0.04 -1.66 0.98 0.00 0.00 173.24 172.19 2yro s TRP 149 N 1.78 0.71 0.15 5.02 -2.14 -0.92 -4.94 118.94 118.60 2yro s TRP 149 Ca 0.02 -0.19 -0.06 0.00 2.66 0.00 0.00 56.10 58.54 2yro s TRP 149 Cb -0.17 -0.65 -0.01 0.00 -3.10 0.00 0.00 33.47 29.53 2yro s TRP 149 CO -0.15 -0.20 1.40 0.66 -2.66 0.00 0.00 176.95 176.01 2yro h SER 150 N 7.27 0.69 0.00 -2.66 4.64 -1.84 -2.87 113.55 118.77 2yro h SER 150 Ca -0.37 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.52 2yro h SER 150 Cb 1.15 -0.20 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 2yro h SER 150 CO 0.46 1.19 0.00 0.61 -0.87 0.00 0.00 176.83 178.22 2yro n GLY 151 N 0.55 0.23 3.66 -0.77 0.00 -1.26 -4.65 105.19 102.94 2yro n GLY 151 Ca -0.05 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.60 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 0.04 -0.28 1.61 0.04 -1.26 -5.05 135.00 130.10 2yro s PRO 152 Ca 0.00 0.38 0.02 0.00 0.04 0.00 0.00 61.00 61.45 2yro s PRO 152 Cb 0.00 -1.70 0.07 0.00 0.04 0.00 0.00 34.50 32.91 2yro s PRO 152 CO 0.00 -2.97 -0.04 0.45 0.04 0.00 0.00 177.00 174.48 2yro s SER 153 N -3.53 4.36 -0.10 6.66 0.15 -1.26 -5.09 113.70 114.90 2yro s SER 153 Ca 0.66 -1.56 -0.30 0.00 0.70 0.00 0.00 55.95 55.46 2yro s SER 153 Cb -0.17 -1.44 0.08 0.00 -1.71 0.00 0.00 66.02 62.77 2yro s SER 153 CO 0.57 -0.26 0.71 -0.44 1.20 0.00 0.00 173.24 175.02 2yro s SER 154 N 1.15 -0.65 0.00 5.45 0.01 -1.26 -5.34 113.70 113.06 2yro s SER 154 Ca -0.02 0.81 0.00 0.00 1.31 0.00 0.00 55.95 58.05 2yro s SER 154 Cb -0.19 0.67 0.00 0.00 0.21 0.00 0.00 66.02 66.71 2yro s SER 154 CO -0.07 -0.53 0.00 0.61 0.41 0.00 0.00 173.24 173.66