#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 -0.14 -0.20 1.61 0.15 -1.26 -4.32 113.70 109.53 2yro s SER 2 Ca 0.00 0.70 -0.28 0.00 0.70 0.00 0.00 55.95 57.07 2yro s SER 2 Cb 0.00 1.32 0.12 0.00 -1.71 0.00 0.00 66.02 65.75 2yro s SER 2 CO 0.00 -0.26 0.97 -0.55 1.20 0.00 0.00 173.24 174.60 2yro s SER 3 N 2.61 -0.44 0.00 5.45 0.15 -1.26 -5.08 113.70 115.12 2yro s SER 3 Ca 0.05 0.66 0.00 0.00 0.70 0.00 0.00 55.95 57.36 2yro s SER 3 Cb -0.13 0.60 0.00 0.00 -1.71 0.00 0.00 66.02 64.77 2yro s SER 3 CO -0.14 -0.29 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2yro n GLY 4 N 1.41 1.22 3.65 9.45 0.00 -1.26 -4.96 105.19 114.69 2yro n GLY 4 Ca -0.12 0.50 -0.39 0.00 0.00 0.00 0.00 46.02 46.01 2yro n GLY 4 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2yro n SER 5 N 0.00 1.31 -4.61 1.61 3.41 -1.26 -4.98 113.62 109.09 2yro n SER 5 Ca 0.00 0.88 -0.34 0.00 -0.26 0.00 0.00 58.87 59.15 2yro n SER 5 Cb 0.00 -1.43 -0.10 0.00 -0.26 0.00 0.00 64.21 62.42 2yro n SER 5 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2yro s SER 6 N -1.08 5.46 0.00 4.04 1.04 -1.26 -4.99 113.70 116.90 2yro s SER 6 Ca 0.73 0.05 0.00 0.00 0.48 0.00 0.00 55.95 57.21 2yro s SER 6 Cb -0.44 -1.91 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2yro s SER 6 CO 0.49 0.19 0.00 0.61 0.98 0.00 0.00 173.24 175.51 2yro n GLY 7 N 3.45 -1.99 3.73 7.32 0.00 -1.26 -5.17 105.19 111.27 2yro n GLY 7 Ca -0.17 0.97 -0.30 0.00 0.00 0.00 0.00 46.02 46.52 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 0.00 1.49 -0.03 1.61 0.04 -1.26 -5.08 135.00 131.78 2yro s PRO 8 Ca 0.00 0.91 -0.02 0.00 0.04 0.00 0.00 61.00 61.93 2yro s PRO 8 Cb 0.00 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.72 2yro s PRO 8 CO 0.00 -2.10 0.07 0.15 0.04 0.00 0.00 177.00 175.16 2yro s LYS 9 N -4.93 0.06 0.40 4.56 3.01 -1.26 -5.17 119.74 116.41 2yro s LYS 9 Ca 0.63 0.14 0.08 0.00 -1.01 0.00 0.00 55.97 55.81 2yro s LYS 9 Cb -0.18 -0.04 -0.04 0.00 -1.01 0.00 0.00 37.83 36.57 2yro s LYS 9 CO 0.57 -0.06 0.26 -1.12 0.51 0.00 0.00 175.35 175.51 2yro s SER 10 N 0.36 4.77 0.00 2.83 0.01 -1.26 -4.89 113.70 115.51 2yro s SER 10 Ca -0.03 -0.86 0.00 0.00 1.31 0.00 0.00 55.95 56.37 2yro s SER 10 Cb -0.04 -0.58 0.00 0.00 0.21 0.00 0.00 66.02 65.61 2yro s SER 10 CO -0.01 -0.54 0.00 0.61 0.41 0.00 0.00 173.24 173.71 2yro n GLY 11 N -1.36 0.79 3.08 3.44 0.00 -1.26 -5.13 105.19 104.75 2yro n GLY 11 Ca 0.00 -0.52 -0.12 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.09 0.54 -1.04 2.61 -4.23 -1.26 -5.08 115.64 105.09 2yro s THR 12 Ca 0.00 -1.25 -0.24 0.00 -1.18 0.00 0.00 61.69 59.02 2yro s THR 12 Cb 0.00 -0.81 -0.07 0.00 1.34 0.00 0.00 72.50 72.96 2yro s THR 12 CO 0.00 -0.50 1.94 -2.16 -0.54 0.00 0.00 174.62 173.36 2yro s PRO 13 N -2.06 2.52 1.00 3.99 0.04 -1.26 -4.95 135.00 134.28 2yro s PRO 13 Ca -0.06 -0.72 -0.19 0.00 0.04 0.00 0.00 61.00 60.07 2yro s PRO 13 Cb -0.07 -5.15 -0.15 0.00 0.04 0.00 0.00 34.50 29.18 2yro s PRO 13 CO -0.01 -3.68 -0.88 0.00 0.04 0.00 0.00 177.00 172.47 2yro n GLN 14 N 8.57 -0.04 -4.68 4.56 -0.00 -1.23 -4.80 117.38 119.76 2yro n GLN 14 Ca 0.42 -0.01 -0.32 0.00 -0.00 0.00 0.00 57.00 57.10 2yro n GLN 14 Cb 0.47 -1.06 -0.08 0.00 -0.00 0.00 0.00 30.24 29.57 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 7.34 2.44 0.20 2.61 1.43 -0.85 -4.95 118.68 126.89 2yro s LEU 15 Ca 0.40 -1.57 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 2yro s LEU 15 Cb -0.12 -0.80 -0.05 0.00 0.03 0.00 0.00 46.19 45.25 2yro s LEU 15 CO 0.79 -0.78 -0.09 -0.94 0.23 0.00 0.00 176.35 175.55 2yro s SER 16 N -3.87 2.15 0.13 2.29 1.04 -1.26 -4.22 113.70 109.95 2yro s SER 16 Ca 0.13 -1.08 0.07 0.00 0.48 0.00 0.00 55.95 55.55 2yro s SER 16 Cb 0.03 -0.06 -0.04 0.00 0.10 0.00 0.00 66.02 66.05 2yro s SER 16 CO 0.07 -0.32 -0.05 -0.76 0.98 0.00 0.00 173.24 173.16 2yro s LEU 17 N -3.27 3.21 0.14 2.42 1.43 -1.26 -2.90 118.68 118.45 2yro s LEU 17 Ca 0.22 -0.35 -0.31 0.00 -1.03 0.00 0.00 54.13 52.66 2yro s LEU 17 Cb 0.02 -1.95 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 2yro s LEU 17 CO 0.05 0.15 1.34 -2.16 0.23 0.00 0.00 176.35 175.96 2yro s PRO 18 N -2.49 4.35 -0.67 1.29 0.04 -1.26 -5.07 135.00 131.19 2yro s PRO 18 Ca 0.24 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.09 2yro s PRO 18 Cb -0.11 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.26 2yro s PRO 18 CO 0.16 -0.36 1.01 0.12 0.04 0.00 0.00 177.00 177.98 2yro s PHE 19 N 0.78 2.61 -0.35 0.56 5.36 0.43 -4.96 117.98 122.40 2yro s PHE 19 Ca 0.61 -0.48 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 2yro s PHE 19 Cb -0.36 -4.35 0.09 0.00 -0.34 0.00 0.00 43.02 38.07 2yro s PHE 19 CO 0.33 -1.72 0.08 0.00 -1.46 0.00 0.00 175.22 172.45 2yro s ALA 20 N 4.32 2.95 0.03 11.12 0.00 -1.26 -0.98 121.76 137.93 2yro s ALA 20 Ca 0.24 -2.35 -0.04 0.00 0.00 0.00 0.00 51.96 49.81 2yro s ALA 20 Cb -0.16 -2.09 -0.02 0.00 0.00 0.00 0.00 23.12 20.86 2yro s ALA 20 CO 0.11 -1.62 0.06 0.00 0.00 0.00 0.00 175.76 174.31 2yro s ALA 21 N 1.06 0.02 0.14 0.00 0.00 -1.11 -5.02 121.76 116.85 2yro s ALA 21 Ca 0.06 -0.62 0.07 0.00 0.00 0.00 0.00 51.96 51.47 2yro s ALA 21 Cb -0.21 0.23 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2yro s ALA 21 CO -0.05 -0.29 -0.04 -0.98 0.00 0.00 0.00 175.76 174.40 2yro s ARG 22 N -2.52 2.31 0.01 0.00 1.70 -1.26 -0.20 118.95 118.99 2yro s ARG 22 Ca -0.06 -1.07 -0.21 0.00 -0.47 0.00 0.00 55.73 53.93 2yro s ARG 22 Cb -0.02 -2.35 -0.05 0.00 -0.57 0.00 0.00 34.95 31.96 2yro s ARG 22 CO -0.04 0.48 0.61 -0.51 -1.08 0.00 0.00 175.30 174.75 2yro s LEU 23 N -2.65 4.43 0.29 -1.89 1.43 0.88 -4.94 118.68 116.23 2yro s LEU 23 Ca 0.25 1.19 0.03 0.00 -1.03 0.00 0.00 54.13 54.58 2yro s LEU 23 Cb -0.10 -2.95 0.74 0.00 0.03 0.00 0.00 46.19 43.91 2yro s LEU 23 CO 0.17 0.11 1.65 -0.55 0.23 0.00 0.00 176.35 177.96 2yro h ASN 24 N 5.56 0.05 -3.73 2.29 -1.07 -2.00 -3.40 115.58 113.29 2yro h ASN 24 Ca -0.45 0.19 -0.68 0.00 0.07 0.00 0.00 56.30 55.43 2yro h ASN 24 Cb 1.20 0.25 -0.20 0.00 -2.07 0.00 0.00 38.32 37.50 2yro h ASN 24 CO 0.69 -0.15 -0.83 0.42 0.07 0.00 0.00 177.43 177.64 2yro s THR 25 N -5.91 2.59 -0.03 6.14 -4.23 -1.26 -5.10 115.64 107.84 2yro s THR 25 Ca -0.12 -1.65 -0.30 0.00 -1.18 0.00 0.00 61.69 58.44 2yro s THR 25 Cb 0.26 -2.18 -0.05 0.00 1.34 0.00 0.00 72.50 71.87 2yro s THR 25 CO 0.77 0.07 1.47 -2.16 -0.54 0.00 0.00 174.62 174.23 2yro s PRO 26 N -2.18 4.24 0.55 3.99 0.04 -1.26 -4.90 135.00 135.47 2yro s PRO 26 Ca 0.17 2.01 -0.09 0.00 0.04 0.00 0.00 61.00 63.13 2yro s PRO 26 Cb -0.10 -3.70 0.13 0.00 0.04 0.00 0.00 34.50 30.86 2yro s PRO 26 CO 0.09 -0.67 0.74 0.00 0.04 0.00 0.00 177.00 177.19 2yro n MET 27 N 5.98 -0.74 0.00 4.56 0.00 -0.88 -4.93 117.12 121.12 2yro n MET 27 Ca 0.14 -1.14 0.00 0.00 0.00 0.00 0.00 57.70 56.70 2yro n MET 27 Cb 0.43 -0.76 0.00 0.00 0.00 0.00 0.00 33.22 32.89 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 0.15 -0.61 3.77 3.17 0.00 -1.24 -3.67 105.19 106.76 2yro n GLY 28 Ca 0.09 -0.44 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.49 3.57 0.00 1.61 0.04 -1.26 -3.10 135.00 134.37 2yro s PRO 29 Ca 0.00 1.69 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2yro s PRO 29 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2yro s PRO 29 CO 0.00 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 176.76 2yro n GLY 30 N 0.31 2.88 3.86 0.56 0.00 0.61 -4.98 105.19 108.43 2yro n GLY 30 Ca 0.09 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.80 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 3.77 -0.20 1.61 1.81 -1.18 -4.19 118.95 120.51 2yro s ARG 31 Ca 0.00 0.83 -0.02 0.00 -1.72 0.00 0.00 55.73 54.82 2yro s ARG 31 Cb 0.00 -2.12 0.06 0.00 -0.45 0.00 0.00 34.95 32.44 2yro s ARG 31 CO 0.00 -0.41 0.01 0.99 -0.68 0.00 0.00 175.30 175.21 2yro s THR 32 N -2.89 0.77 -0.32 0.02 2.01 -0.86 -3.08 115.64 111.30 2yro s THR 32 Ca 0.57 -0.73 -0.10 0.00 0.31 0.00 0.00 61.69 61.74 2yro s THR 32 Cb -0.10 -1.22 -0.01 0.00 0.01 0.00 0.00 72.50 71.18 2yro s THR 32 CO 0.43 -0.19 0.16 -0.69 -0.69 0.00 0.00 174.62 173.64 2yro s VAL 33 N 1.74 4.64 0.01 3.82 1.01 -0.24 -2.14 120.40 129.23 2yro s VAL 33 Ca -0.02 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.53 2yro s VAL 33 Cb -0.18 -3.38 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 2yro s VAL 33 CO -0.08 0.04 0.06 0.68 0.00 0.00 0.00 175.10 175.81 2yro s VAL 34 N 1.62 4.56 -0.36 2.92 -7.23 0.08 -0.75 120.40 121.24 2yro s VAL 34 Ca 0.04 -0.52 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2yro s VAL 34 Cb -0.17 -3.09 0.10 0.00 0.56 0.00 0.00 36.38 33.77 2yro s VAL 34 CO 0.06 0.32 0.09 -0.69 -0.31 0.00 0.00 175.10 174.57 2yro s VAL 35 N -1.20 2.72 -0.44 1.32 1.01 -0.02 -2.67 120.40 121.12 2yro s VAL 35 Ca 0.23 -2.10 -0.21 0.00 0.00 0.00 0.00 61.98 59.90 2yro s VAL 35 Cb -0.12 -2.88 0.02 0.00 0.00 0.00 0.00 36.38 33.41 2yro s VAL 35 CO 0.14 -0.55 0.68 -0.54 0.00 0.00 0.00 175.10 174.84 2yro s LYS 36 N 1.04 3.31 0.00 2.72 1.02 -1.02 -3.01 119.74 123.79 2yro s LYS 36 Ca 0.07 -0.31 0.00 0.00 0.02 0.00 0.00 55.97 55.75 2yro s LYS 36 Cb -0.21 -3.95 0.00 0.00 -0.52 0.00 0.00 37.83 33.15 2yro s LYS 36 CO -0.06 -1.04 0.00 0.41 -0.92 0.00 0.00 175.35 173.74 2yro n GLY 37 N 5.03 3.56 3.27 -3.33 0.00 -1.23 -1.76 105.19 110.73 2yro n GLY 37 Ca -0.01 -1.15 -0.13 0.00 0.00 0.00 0.00 46.02 44.73 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 -0.17 0.76 -0.09 1.61 2.02 -0.65 -3.32 118.70 118.87 2yro s GLU 38 Ca 0.00 -0.28 -0.05 0.00 0.02 0.00 0.00 54.97 54.66 2yro s GLU 38 Cb 0.00 0.34 -0.04 0.00 0.10 0.00 0.00 34.13 34.53 2yro s GLU 38 CO 0.00 -0.23 0.13 0.08 0.02 0.00 0.00 175.26 175.26 2yro s VAL 39 N -1.81 5.31 0.45 2.63 1.01 -0.82 -0.92 120.40 126.24 2yro s VAL 39 Ca -0.10 0.06 -0.21 0.00 0.00 0.00 0.00 61.98 61.73 2yro s VAL 39 Cb -0.03 -3.34 -0.10 0.00 0.00 0.00 0.00 36.38 32.91 2yro s VAL 39 CO 0.02 0.56 0.98 0.20 0.00 0.00 0.00 175.10 176.86 2yro s ASN 40 N -1.20 6.71 0.38 3.32 0.01 -1.26 -0.59 114.94 122.32 2yro s ASN 40 Ca 0.17 1.78 0.07 0.00 -0.71 0.00 0.00 52.86 54.17 2yro s ASN 40 Cb -0.12 -2.55 0.80 0.00 0.41 0.00 0.00 41.25 39.80 2yro s ASN 40 CO 0.07 -0.52 1.98 0.00 -1.51 0.00 0.00 177.10 177.11 2yro h ALA 41 N 1.77 1.76 -0.59 0.60 0.00 -1.93 -1.69 119.26 119.18 2yro h ALA 41 Ca -0.49 -0.02 -0.36 0.00 0.00 0.00 0.00 54.91 54.04 2yro h ALA 41 Cb 1.20 -0.17 -0.22 0.00 0.00 0.00 0.00 17.79 18.60 2yro h ALA 41 CO 0.60 0.14 0.01 0.09 0.00 0.00 0.00 179.25 180.09 2yro n ASN 42 N -4.48 3.82 -4.69 0.00 4.13 -1.26 -4.72 115.26 108.06 2yro n ASN 42 Ca 0.09 -3.77 -0.42 0.00 1.68 0.00 0.00 54.58 52.16 2yro n ASN 42 Cb 0.23 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 37.78 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2yro s ALA 43 N -3.41 3.32 -0.06 5.41 0.00 -0.65 -4.97 121.76 121.41 2yro s ALA 43 Ca 0.50 0.42 -0.13 0.00 0.00 0.00 0.00 51.96 52.75 2yro s ALA 43 Cb 0.43 -3.40 -0.09 0.00 0.00 0.00 0.00 23.12 20.07 2yro s ALA 43 CO 0.01 -0.48 0.54 -0.22 0.00 0.00 0.00 175.76 175.62 2yro h LYS 44 N 7.00 -0.33 -1.23 0.00 3.64 -1.90 -3.48 116.57 120.28 2yro h LYS 44 Ca -0.34 0.02 0.20 0.00 -1.27 0.00 0.00 60.65 59.26 2yro h LYS 44 Cb 1.17 0.07 -0.25 0.00 -0.41 0.00 0.00 32.23 32.81 2yro h LYS 44 CO 0.82 -0.11 0.83 -1.54 -2.27 0.00 0.00 179.45 177.17 2yro s SER 45 N -5.22 -0.14 0.48 4.20 1.04 -1.26 -3.81 113.70 108.99 2yro s SER 45 Ca -0.07 0.14 0.02 0.00 0.48 0.00 0.00 55.95 56.52 2yro s SER 45 Cb 0.00 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.22 2yro s SER 45 CO 0.25 -0.14 0.03 0.72 0.98 0.00 0.00 173.24 175.08 2yro s PHE 46 N -1.16 1.90 0.06 5.02 -0.71 -1.22 -2.74 117.98 119.13 2yro s PHE 46 Ca 0.06 -1.00 -0.25 0.00 -1.04 0.00 0.00 56.93 54.70 2yro s PHE 46 Cb -0.01 -1.53 0.06 0.00 -1.21 0.00 0.00 43.02 40.34 2yro s PHE 46 CO -0.05 0.14 0.59 0.54 -1.34 0.00 0.00 175.22 175.10 2yro s ASN 47 N -3.80 -0.55 -0.25 1.98 4.22 0.10 -2.81 114.94 113.83 2yro s ASN 47 Ca 0.12 0.27 -0.01 0.00 -2.14 0.00 0.00 52.86 51.10 2yro s ASN 47 Cb 0.03 0.54 0.07 0.00 1.28 0.00 0.00 41.25 43.17 2yro s ASN 47 CO 0.07 -0.78 0.02 -0.69 -2.04 0.00 0.00 177.10 173.68 2yro s VAL 48 N -2.57 1.08 -0.36 3.54 1.01 -0.87 -1.74 120.40 120.50 2yro s VAL 48 Ca -0.05 -1.12 -0.17 0.00 0.00 0.00 0.00 61.98 60.64 2yro s VAL 48 Cb -0.01 -1.57 -0.00 0.00 0.00 0.00 0.00 36.38 34.80 2yro s VAL 48 CO -0.02 -0.31 0.46 -1.81 0.00 0.00 0.00 175.10 173.41 2yro s ASP 49 N 1.57 6.26 -0.36 3.32 1.11 0.51 -3.34 116.67 125.74 2yro s ASP 49 Ca 0.01 -0.21 -0.06 0.00 0.18 0.00 0.00 52.55 52.47 2yro s ASP 49 Cb -0.18 -2.24 0.06 0.00 1.07 0.00 0.00 42.92 41.63 2yro s ASP 49 CO -0.12 -0.47 0.14 -0.22 1.18 0.00 0.00 175.17 175.68 2yro s LEU 50 N 2.26 4.57 0.37 1.23 2.96 -1.10 -1.24 118.68 127.73 2yro s LEU 50 Ca 0.16 -1.37 0.06 0.00 -0.22 0.00 0.00 54.13 52.76 2yro s LEU 50 Cb -0.16 -1.87 -0.07 0.00 0.50 0.00 0.00 46.19 44.59 2yro s LEU 50 CO 0.13 -0.39 0.03 -1.48 -1.32 0.00 0.00 176.35 173.31 2yro s LEU 51 N 1.35 2.57 -0.40 -0.68 0.05 -1.17 -0.36 118.68 120.04 2yro s LEU 51 Ca 0.00 -1.36 -0.11 0.00 0.05 0.00 0.00 54.13 52.71 2yro s LEU 51 Cb -0.21 -0.68 0.05 0.00 -2.05 0.00 0.00 46.19 43.30 2yro s LEU 51 CO 0.01 -0.51 0.24 0.00 -0.55 0.00 0.00 176.35 175.55 2yro s ALA 52 N -2.96 3.31 0.36 1.48 0.00 -0.20 -3.11 121.76 120.65 2yro s ALA 52 Ca 0.35 -1.89 0.23 0.00 0.00 0.00 0.00 51.96 50.66 2yro s ALA 52 Cb 0.09 -2.67 1.27 0.00 0.00 0.00 0.00 23.12 21.81 2yro s ALA 52 CO 0.17 -1.51 1.41 0.41 0.00 0.00 0.00 175.76 176.24 2yro n GLY 53 N 5.00 -0.71 0.39 0.00 0.00 -1.26 0.10 105.19 108.71 2yro n GLY 53 Ca -0.11 0.71 -0.11 0.00 0.00 0.00 0.00 46.02 46.51 2yro n GLY 53 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2yro h LYS 54 N 0.00 -0.14 0.00 1.61 3.64 -1.93 -2.91 116.57 116.83 2yro h LYS 54 Ca 0.78 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 60.15 2yro h LYS 54 Cb 2.26 0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 34.08 2yro h LYS 54 CO -0.57 -0.10 -0.37 0.43 -2.27 0.00 0.00 179.45 176.58 2yro n SER 55 N -5.04 1.79 -3.84 4.20 7.64 0.07 -4.99 113.62 113.46 2yro n SER 55 Ca -0.00 -3.38 -0.24 0.00 1.01 0.00 0.00 58.87 56.25 2yro n SER 55 Cb 0.26 -0.46 -0.07 0.00 -1.01 0.00 0.00 64.21 62.93 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 -1.05 -0.93 -4.11 1.43 4.01 0.28 -4.88 118.16 112.91 2yro n LYS 56 Ca 0.16 0.07 -0.35 0.00 -0.51 0.00 0.00 58.31 57.68 2yro n LYS 56 Cb 0.71 -2.76 -0.12 0.00 -0.51 0.00 0.00 35.03 32.35 2yro n LYS 56 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 2yro s ASP 57 N -3.86 4.92 -0.41 4.39 1.47 -1.21 -4.80 116.67 117.18 2yro s ASP 57 Ca 0.08 -0.16 -0.29 0.00 1.18 0.00 0.00 52.55 53.36 2yro s ASP 57 Cb -0.05 -1.84 0.01 0.00 -0.34 0.00 0.00 42.92 40.71 2yro s ASP 57 CO 0.74 0.09 1.41 -0.63 0.68 0.00 0.00 175.17 177.46 2yro s ILE 58 N 0.85 3.91 0.04 2.11 1.01 -1.12 -1.03 121.20 126.97 2yro s ILE 58 Ca 0.01 0.93 -0.17 0.00 0.00 0.00 0.00 60.65 61.42 2yro s ILE 58 Cb -0.14 -4.21 -0.20 0.00 0.01 0.00 0.00 42.46 37.92 2yro s ILE 58 CO 0.02 -0.75 1.19 0.00 0.00 0.00 0.00 174.94 175.39 2yro h ALA 59 N 10.64 0.16 -3.66 9.38 0.00 -0.97 -3.21 119.26 131.60 2yro h ALA 59 Ca -0.27 -0.56 -0.30 0.00 0.00 0.00 0.00 54.91 53.77 2yro h ALA 59 Cb 1.10 0.02 -0.31 0.00 0.00 0.00 0.00 17.79 18.60 2yro h ALA 59 CO 1.08 0.44 -0.74 -1.17 0.00 0.00 0.00 179.25 178.87 2yro s LEU 60 N -8.42 1.59 -0.29 0.00 2.96 -1.19 -4.18 118.68 109.16 2yro s LEU 60 Ca -0.12 -0.02 0.01 0.00 -0.22 0.00 0.00 54.13 53.77 2yro s LEU 60 Cb 0.05 -0.14 0.08 0.00 0.50 0.00 0.00 46.19 46.69 2yro s LEU 60 CO 0.85 -0.04 0.03 -2.28 -1.32 0.00 0.00 176.35 173.59 2yro s HIS 61 N 0.47 2.47 -0.32 5.38 5.65 -0.69 -2.71 115.29 125.53 2yro s HIS 61 Ca -0.04 -2.05 -0.00 0.00 0.25 0.00 0.00 55.06 53.21 2yro s HIS 61 Cb -0.07 -1.97 0.07 0.00 -1.18 0.00 0.00 32.58 29.43 2yro s HIS 61 CO -0.01 -0.85 0.03 -0.51 -0.65 0.00 0.00 174.74 172.75 2yro s LEU 62 N 1.36 4.21 -0.42 8.88 1.43 -1.21 -2.61 118.68 130.32 2yro s LEU 62 Ca 0.04 -1.58 -0.01 0.00 -1.03 0.00 0.00 54.13 51.56 2yro s LEU 62 Cb -0.18 -1.69 0.11 0.00 0.03 0.00 0.00 46.19 44.46 2yro s LEU 62 CO -0.13 -0.32 0.20 0.21 0.23 0.00 0.00 176.35 176.53 2yro s ASN 63 N 1.29 5.07 0.29 2.29 3.84 -1.07 -2.04 114.94 124.61 2yro s ASN 63 Ca -0.01 -2.22 -0.29 0.00 0.21 0.00 0.00 52.86 50.55 2yro s ASN 63 Cb -0.20 -1.77 -0.10 0.00 -0.55 0.00 0.00 41.25 38.63 2yro s ASN 63 CO -0.03 -0.46 1.24 -2.16 -2.79 0.00 0.00 177.10 172.89 2yro s PRO 64 N 0.85 4.45 -0.09 0.43 0.04 -1.12 -3.06 135.00 136.50 2yro s PRO 64 Ca 0.10 2.06 0.04 0.00 0.04 0.00 0.00 61.00 63.24 2yro s PRO 64 Cb -0.22 -3.13 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2yro s PRO 64 CO -0.05 -0.07 -0.21 1.03 0.04 0.00 0.00 177.00 177.74 2yro s ARG 65 N -1.41 2.67 -0.18 4.56 0.52 -1.22 -3.39 118.95 120.50 2yro s ARG 65 Ca 0.49 -0.76 -0.02 0.00 -0.52 0.00 0.00 55.73 54.92 2yro s ARG 65 Cb -0.37 -2.06 -0.22 0.00 0.52 0.00 0.00 34.95 32.82 2yro s ARG 65 CO 0.47 0.15 0.11 1.28 0.02 0.00 0.00 175.30 177.33 2yro n LEU 66 N 3.56 2.69 -0.01 2.53 4.77 -1.25 -2.59 117.00 126.70 2yro n LEU 66 Ca -0.20 0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.78 2yro n LEU 66 Cb 0.53 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.61 2yro n LEU 66 CO 0.27 0.87 0.50 -1.13 -1.33 0.00 0.00 177.39 176.58 2yro h ASN 67 N 0.04 -0.66 -0.41 -1.43 -1.24 -1.93 -1.73 115.58 108.23 2yro h ASN 67 Ca -0.49 0.08 0.00 0.00 0.71 0.00 0.00 56.30 56.60 2yro h ASN 67 Cb 1.98 0.26 0.00 0.00 0.73 0.00 0.00 38.32 41.29 2yro h ASN 67 CO 0.01 -0.18 0.00 2.30 -1.29 0.00 0.00 177.43 178.27 2yro n ILE 68 N -3.65 1.37 -3.82 2.57 -6.64 -1.26 -4.93 119.36 102.99 2yro n ILE 68 Ca -0.02 -0.80 -0.25 0.00 -1.77 0.00 0.00 62.75 59.90 2yro n ILE 68 Cb 0.14 -0.12 -0.03 0.00 -1.44 0.00 0.00 39.64 38.19 2yro n ILE 68 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2yro n LYS 69 N 0.57 -0.74 -3.77 6.28 5.02 -0.65 -4.90 118.16 119.97 2yro n LYS 69 Ca 0.17 -0.04 -0.22 0.00 -2.02 0.00 0.00 58.31 56.20 2yro n LYS 69 Cb 0.70 -1.82 -0.18 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.97 0.60 -0.06 7.82 0.00 -1.07 -4.82 121.76 120.27 2yro s ALA 70 Ca 0.15 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.76 2yro s ALA 70 Cb -0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 2yro s ALA 70 CO 0.65 -0.43 1.02 0.12 0.00 0.00 0.00 175.76 177.11 2yro s PHE 71 N 1.93 3.54 -0.23 0.00 2.19 -1.26 -3.39 117.98 120.77 2yro s PHE 71 Ca 0.04 1.60 -0.09 0.00 0.33 0.00 0.00 56.93 58.81 2yro s PHE 71 Cb -0.12 -3.19 -0.04 0.00 -1.31 0.00 0.00 43.02 38.36 2yro s PHE 71 CO -0.05 -0.26 0.11 0.08 1.83 0.00 0.00 175.22 176.94 2yro s VAL 72 N 1.65 4.95 -0.06 3.12 1.01 -1.17 -4.35 120.40 125.54 2yro s VAL 72 Ca 0.50 0.04 0.05 0.00 0.00 0.00 0.00 61.98 62.57 2yro s VAL 72 Cb -0.20 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.88 2yro s VAL 72 CO 0.22 0.38 -0.22 -0.13 0.00 0.00 0.00 175.10 175.35 2yro s ARG 73 N 0.99 2.41 0.12 2.72 3.00 -1.25 -2.60 118.95 124.34 2yro s ARG 73 Ca 0.06 -0.79 -0.24 0.00 0.00 0.00 0.00 55.73 54.76 2yro s ARG 73 Cb -0.14 -1.98 0.08 0.00 0.00 0.00 0.00 34.95 32.92 2yro s ARG 73 CO 0.03 0.27 1.11 1.21 0.00 0.00 0.00 175.30 177.93 2yro s ASN 74 N 0.07 -0.01 0.02 0.23 2.47 -1.07 -3.97 114.94 112.68 2yro s ASN 74 Ca -0.08 -0.51 0.00 0.00 0.42 0.00 0.00 52.86 52.69 2yro s ASN 74 Cb -0.14 0.39 -0.02 0.00 -1.45 0.00 0.00 41.25 40.03 2yro s ASN 74 CO 0.05 -0.77 -0.03 -0.55 -3.72 0.00 0.00 177.10 172.07 2yro s SER 75 N -3.46 0.28 -0.27 -4.21 0.15 -1.26 -1.71 113.70 103.22 2yro s SER 75 Ca 0.23 -0.50 0.03 0.00 0.70 0.00 0.00 55.95 56.41 2yro s SER 75 Cb -0.02 0.10 0.07 0.00 -1.71 0.00 0.00 66.02 64.46 2yro s SER 75 CO 0.03 -0.29 -0.06 0.12 1.20 0.00 0.00 173.24 174.24 2yro s PHE 76 N -1.45 3.22 -0.03 3.44 5.36 -1.21 -1.59 117.98 125.73 2yro s PHE 76 Ca -0.16 -2.38 0.03 0.00 -0.96 0.00 0.00 56.93 53.46 2yro s PHE 76 Cb -0.10 -2.09 0.00 0.00 -0.34 0.00 0.00 43.02 40.49 2yro s PHE 76 CO -0.01 -0.88 -0.10 -0.51 -1.46 0.00 0.00 175.22 172.26 2yro s LEU 77 N 1.11 1.82 -1.56 6.12 1.43 -0.35 -2.78 118.68 124.46 2yro s LEU 77 Ca -0.04 -0.21 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 2yro s LEU 77 Cb -0.20 -0.61 0.09 0.00 0.03 0.00 0.00 46.19 45.50 2yro s LEU 77 CO -0.06 0.08 0.80 0.00 0.23 0.00 0.00 176.35 177.40 2yro n GLN 78 N 3.25 -4.29 -3.62 1.70 6.02 -1.26 -0.63 117.38 118.55 2yro n GLN 78 Ca -0.18 0.49 -0.23 0.00 -0.01 0.00 0.00 57.00 57.06 2yro n GLN 78 Cb 0.54 -5.18 0.07 0.00 1.02 0.00 0.00 30.24 26.70 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 -4.50 -7.21 -3.74 -1.09 1.02 -1.26 -5.00 120.64 98.86 2yro n GLU 79 Ca -0.03 0.79 -0.14 0.00 -0.02 0.00 0.00 57.16 57.76 2yro n GLU 79 Cb 0.55 -5.79 -0.15 0.00 -0.02 0.00 0.00 31.44 26.03 2yro n GLU 79 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2yro s SER 80 N -3.58 -0.02 -0.14 1.62 0.15 0.20 -5.14 113.70 106.79 2yro s SER 80 Ca 0.46 0.29 -0.14 0.00 0.70 0.00 0.00 55.95 57.26 2yro s SER 80 Cb -0.21 0.18 -0.05 0.00 -1.71 0.00 0.00 66.02 64.24 2yro s SER 80 CO 0.75 -0.16 0.30 0.26 1.20 0.00 0.00 173.24 175.60 2yro s TRP 81 N 1.28 3.49 0.00 3.44 0.52 -1.26 -1.21 118.94 125.20 2yro s TRP 81 Ca -0.08 0.64 0.00 0.00 0.02 0.00 0.00 56.10 56.68 2yro s TRP 81 Cb -0.12 -2.33 0.00 0.00 -1.15 0.00 0.00 33.47 29.88 2yro s TRP 81 CO -0.06 0.30 0.00 0.41 0.02 0.00 0.00 176.95 177.62 2yro n GLY 82 N 3.16 -2.16 3.62 0.98 0.00 -0.62 -4.98 105.19 105.19 2yro n GLY 82 Ca -0.12 -0.62 -0.34 0.00 0.00 0.00 0.00 46.02 44.93 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 3.27 -0.16 1.61 8.01 -1.26 -4.94 118.70 125.23 2yro s GLU 83 Ca 0.00 -0.44 -0.07 0.00 0.01 0.00 0.00 54.97 54.47 2yro s GLU 83 Cb 0.00 -2.86 -0.04 0.00 -4.31 0.00 0.00 34.13 26.91 2yro s GLU 83 CO 0.00 0.53 0.09 -1.21 0.01 0.00 0.00 175.26 174.68 2yro s GLU 84 N -0.41 3.75 -0.01 1.61 8.01 -1.26 -4.48 118.70 125.91 2yro s GLU 84 Ca 0.08 -0.26 0.00 0.00 0.01 0.00 0.00 54.97 54.80 2yro s GLU 84 Cb -0.12 -3.20 0.01 0.00 -4.31 0.00 0.00 34.13 26.50 2yro s GLU 84 CO 0.02 0.48 -0.01 -2.00 0.01 0.00 0.00 175.26 173.76 2yro s GLU 85 N -0.18 0.13 -0.27 1.61 2.56 -1.25 -5.03 118.70 116.26 2yro s GLU 85 Ca 0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.97 55.06 2yro s GLU 85 Cb -0.12 -0.20 0.08 0.00 2.00 0.00 0.00 34.13 35.90 2yro s GLU 85 CO 0.01 -0.02 0.02 1.03 -0.56 0.00 0.00 175.26 175.74 2yro s ARG 86 N 0.28 1.17 -0.30 4.30 0.52 -1.26 -3.86 118.95 119.81 2yro s ARG 86 Ca -0.02 -1.08 -0.14 0.00 -0.52 0.00 0.00 55.73 53.96 2yro s ARG 86 Cb -0.04 -2.43 0.18 0.00 0.52 0.00 0.00 34.95 33.17 2yro s ARG 86 CO -0.01 -0.78 1.10 0.54 0.02 0.00 0.00 175.30 176.16 2yro s ASN 87 N 1.45 -0.35 0.09 0.23 4.22 -1.26 -4.97 114.94 114.34 2yro s ASN 87 Ca 0.03 0.19 0.02 0.00 -2.14 0.00 0.00 52.86 50.95 2yro s ASN 87 Cb -0.18 1.28 -0.04 0.00 1.28 0.00 0.00 41.25 43.59 2yro s ASN 87 CO -0.13 -0.07 -0.07 0.27 -2.04 0.00 0.00 177.10 175.06 2yro s ILE 88 N 2.96 0.69 0.03 0.54 -4.36 -1.26 -4.97 121.20 114.84 2yro s ILE 88 Ca 0.02 -1.71 -0.25 0.00 -0.26 0.00 0.00 60.65 58.45 2yro s ILE 88 Cb -0.08 -1.40 -0.18 0.00 1.25 0.00 0.00 42.46 42.05 2yro s ILE 88 CO -0.12 -0.72 1.44 0.74 0.24 0.00 0.00 174.94 176.51 2yro h THR 89 N 3.38 1.09 -2.84 8.37 2.02 -1.98 -3.46 112.91 119.48 2yro h THR 89 Ca -0.36 -0.61 -0.11 0.00 0.77 0.00 0.00 66.41 66.11 2yro h THR 89 Cb 1.18 1.48 -0.21 0.00 -1.74 0.00 0.00 68.15 68.86 2yro h THR 89 CO 0.58 0.15 -0.20 -0.94 0.37 0.00 0.00 175.52 175.47 2yro s SER 90 N -5.36 -0.29 -0.42 4.18 1.04 -1.26 -5.13 113.70 106.46 2yro s SER 90 Ca -0.15 0.29 -0.15 0.00 0.48 0.00 0.00 55.95 56.43 2yro s SER 90 Cb 0.03 0.42 0.03 0.00 0.10 0.00 0.00 66.02 66.61 2yro s SER 90 CO 0.64 -0.42 0.31 0.12 0.98 0.00 0.00 173.24 174.87 2yro s PHE 91 N -1.07 3.24 -0.02 5.02 5.36 -1.26 -4.96 117.98 124.29 2yro s PHE 91 Ca -0.11 -0.71 -0.25 0.00 -0.96 0.00 0.00 56.93 54.90 2yro s PHE 91 Cb -0.04 -2.70 -0.19 0.00 -0.34 0.00 0.00 43.02 39.75 2yro s PHE 91 CO 0.04 -0.64 1.20 -1.00 -1.46 0.00 0.00 175.22 173.37 2yro h PRO 92 N 8.63 -0.10 -5.91 10.12 0.13 -2.00 -3.45 132.00 139.43 2yro h PRO 92 Ca -0.27 0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 64.16 2yro h PRO 92 Cb 1.12 0.02 0.09 0.00 0.13 0.00 0.00 31.00 32.35 2yro h PRO 92 CO 0.75 0.35 -0.31 1.19 -0.23 0.00 0.00 178.00 179.75 2yro n PHE 93 N -4.91 -0.09 -3.83 1.56 3.72 -1.26 -4.97 117.46 107.68 2yro n PHE 93 Ca -0.08 0.99 -0.12 0.00 -0.05 0.00 0.00 57.45 58.18 2yro n PHE 93 Cb 0.25 -1.97 -0.12 0.00 -0.94 0.00 0.00 39.48 36.70 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 -0.63 -0.12 -0.39 4.37 0.01 -1.26 -5.02 113.70 110.66 2yro s SER 94 Ca 0.72 0.21 -0.28 0.00 1.31 0.00 0.00 55.95 57.91 2yro s SER 94 Cb -1.03 0.28 -0.01 0.00 0.21 0.00 0.00 66.02 65.46 2yro s SER 94 CO 0.55 -0.10 1.73 -2.16 0.41 0.00 0.00 173.24 173.67 2yro s PRO 95 N -0.15 3.29 0.00 12.44 0.04 -1.26 -2.95 135.00 146.40 2yro s PRO 95 Ca -0.02 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.22 2yro s PRO 95 Cb -0.02 -4.19 0.00 0.00 0.04 0.00 0.00 34.50 30.33 2yro s PRO 95 CO 0.00 -1.92 0.00 0.41 0.04 0.00 0.00 177.00 175.53 2yro n GLY 96 N 5.39 1.26 3.20 0.56 0.00 0.24 -4.44 105.19 111.40 2yro n GLY 96 Ca 0.21 -0.12 -0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.04 0.95 -0.21 1.61 0.23 -1.15 -4.94 119.30 114.74 2yro s MET 97 Ca 0.00 -1.31 -0.22 0.00 -1.03 0.00 0.00 55.69 53.13 2yro s MET 97 Cb 0.00 0.28 -0.02 0.00 -1.53 0.00 0.00 34.83 33.57 2yro s MET 97 CO 0.00 -0.29 0.71 -0.47 -2.03 0.00 0.00 175.02 172.95 2yro s TYR 98 N -4.00 3.35 -0.14 3.16 5.04 -1.26 -1.95 117.35 121.55 2yro s TYR 98 Ca 0.19 1.02 0.02 0.00 -2.44 0.00 0.00 57.07 55.85 2yro s TYR 98 Cb 0.06 -2.91 0.00 0.00 0.35 0.00 0.00 41.96 39.47 2yro s TYR 98 CO -0.01 -0.27 -0.19 -0.59 -1.34 0.00 0.00 175.55 173.16 2yro s PHE 99 N 2.27 2.71 -0.26 4.97 -0.71 -1.21 -4.97 117.98 120.78 2yro s PHE 99 Ca 0.32 -1.09 -0.00 0.00 -1.04 0.00 0.00 56.93 55.11 2yro s PHE 99 Cb -0.16 -1.83 0.04 0.00 -1.21 0.00 0.00 43.02 39.86 2yro s PHE 99 CO 0.10 -0.48 -0.07 -2.00 -1.34 0.00 0.00 175.22 171.43 2yro s GLU 100 N 0.68 2.58 -0.24 1.99 2.12 -1.26 -3.48 118.70 121.09 2yro s GLU 100 Ca -0.09 -1.14 -0.12 0.00 0.36 0.00 0.00 54.97 53.98 2yro s GLU 100 Cb -0.16 -2.98 -0.05 0.00 0.26 0.00 0.00 34.13 31.20 2yro s GLU 100 CO 0.02 -0.49 0.22 1.41 -0.54 0.00 0.00 175.26 175.88 2yro s MET 101 N 1.25 4.08 -0.35 4.30 -2.45 -1.17 -3.08 119.30 121.88 2yro s MET 101 Ca -0.03 -0.17 -0.06 0.00 -1.25 0.00 0.00 55.69 54.18 2yro s MET 101 Cb -0.18 -3.55 0.05 0.00 1.25 0.00 0.00 34.83 32.40 2yro s MET 101 CO -0.04 0.01 0.12 0.42 1.05 0.00 0.00 175.02 176.58 2yro s ILE 102 N 1.20 3.74 -0.41 10.11 1.09 -0.56 -0.84 121.20 135.52 2yro s ILE 102 Ca 0.10 -1.26 -0.17 0.00 -1.10 0.00 0.00 60.65 58.22 2yro s ILE 102 Cb -0.14 -3.18 0.02 0.00 -1.06 0.00 0.00 42.46 38.10 2yro s ILE 102 CO 0.06 -0.26 0.44 -0.63 -0.10 0.00 0.00 174.94 174.45 2yro s ILE 103 N 1.37 5.08 -0.06 2.92 1.01 0.07 -2.96 121.20 128.64 2yro s ILE 103 Ca -0.01 -0.26 0.04 0.00 0.00 0.00 0.00 60.65 60.42 2yro s ILE 103 Cb -0.20 -4.02 -0.02 0.00 0.01 0.00 0.00 42.46 38.22 2yro s ILE 103 CO 0.02 -0.39 -0.16 -0.47 0.00 0.00 0.00 174.94 173.94 2yro s TYR 104 N 2.17 2.67 -0.32 3.97 5.04 -1.23 -1.08 117.35 128.57 2yro s TYR 104 Ca 0.13 -0.28 -0.06 0.00 -2.44 0.00 0.00 57.07 54.41 2yro s TYR 104 Cb -0.17 -1.65 0.03 0.00 0.35 0.00 0.00 41.96 40.53 2yro s TYR 104 CO 0.14 0.09 0.08 0.00 -1.34 0.00 0.00 175.55 174.52 2yro n ASP 106 N 4.81 5.56 -1.95 0.00 -0.08 -1.26 -0.28 116.55 123.35 2yro n ASP 106 Ca -0.13 -2.96 -0.16 0.00 -1.51 0.00 0.00 54.79 50.02 2yro n ASP 106 Cb 0.46 -0.68 -0.04 0.00 2.34 0.00 0.00 41.12 43.20 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 -0.39 0.00 5.18 0.31 -1.26 -4.67 118.33 117.98 2yro n VAL 107 Ca 0.28 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.61 2yro n VAL 107 Cb 1.18 -1.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 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 -2.49 0.74 -3.67 5.55 5.12 -1.26 -5.10 116.66 115.55 2yro n ARG 108 Ca -0.18 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 55.74 2yro n ARG 108 Cb 0.59 -0.62 -0.01 0.00 -1.16 0.00 0.00 32.46 31.26 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 0.67 -0.48 5.56 -1.05 -1.26 -3.91 118.70 116.98 2yro s GLU 109 Ca 0.00 -0.37 -0.18 0.00 -0.15 0.00 0.00 54.97 54.27 2yro s GLU 109 Cb 0.00 0.23 0.05 0.00 -0.44 0.00 0.00 34.13 33.97 2yro s GLU 109 CO 0.00 -0.31 0.52 -0.06 0.95 0.00 0.00 175.26 176.37 2yro s PHE 110 N -2.72 3.13 0.17 4.83 0.08 0.79 -4.02 117.98 120.23 2yro s PHE 110 Ca 0.13 -0.59 -0.05 0.00 0.12 0.00 0.00 56.93 56.54 2yro s PHE 110 Cb 0.03 -3.29 -0.06 0.00 -0.57 0.00 0.00 43.02 39.13 2yro s PHE 110 CO -0.02 -0.89 0.41 0.15 -0.10 0.00 0.00 175.22 174.77 2yro s LYS 111 N 2.26 3.65 -0.15 0.44 1.02 -1.22 -2.97 119.74 122.78 2yro s LYS 111 Ca 0.12 -0.03 -0.05 0.00 0.02 0.00 0.00 55.97 56.03 2yro s LYS 111 Cb -0.20 -2.80 0.07 0.00 -0.52 0.00 0.00 37.83 34.38 2yro s LYS 111 CO 0.11 0.43 0.28 0.54 -0.92 0.00 0.00 175.35 175.78 2yro s VAL 112 N -1.72 -0.43 -0.08 3.17 0.11 -1.26 -3.48 120.40 116.72 2yro s VAL 112 Ca 0.42 0.21 0.04 0.00 -2.93 0.00 0.00 61.98 59.72 2yro s VAL 112 Cb -0.12 -0.50 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 2yro s VAL 112 CO 0.24 0.07 -0.20 0.00 -3.33 0.00 0.00 175.10 171.88 2yro s ALA 113 N 2.43 2.37 -0.18 1.54 0.00 -1.15 -2.64 121.76 124.12 2yro s ALA 113 Ca 0.02 -0.99 0.01 0.00 0.00 0.00 0.00 51.96 51.00 2yro s ALA 113 Cb -0.13 -0.88 0.04 0.00 0.00 0.00 0.00 23.12 22.15 2yro s ALA 113 CO -0.10 0.39 -0.11 0.08 0.00 0.00 0.00 175.76 176.02 2yro s VAL 114 N -0.09 1.59 -0.51 0.00 1.01 0.16 -1.50 120.40 121.06 2yro s VAL 114 Ca -0.04 -0.86 -0.03 0.00 0.00 0.00 0.00 61.98 61.05 2yro s VAL 114 Cb -0.14 -1.61 0.00 0.00 0.00 0.00 0.00 36.38 34.63 2yro s VAL 114 CO 0.04 0.26 0.45 0.59 0.00 0.00 0.00 175.10 176.45 2yro n ASN 115 N 4.73 -3.57 -1.89 3.32 5.03 -1.18 -3.29 115.26 118.41 2yro n ASN 115 Ca -0.15 -0.21 -0.15 0.00 0.87 0.00 0.00 54.58 54.94 2yro n ASN 115 Cb 0.48 -2.23 0.01 0.00 -1.02 0.00 0.00 39.78 37.01 2yro n ASN 115 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2yro n GLY 116 N -1.08 -0.16 3.22 7.41 0.00 -1.26 -5.01 105.19 108.32 2yro n GLY 116 Ca -0.00 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.85 -0.03 -0.85 1.61 1.01 -1.21 -4.48 120.40 113.61 2yro s VAL 117 Ca 0.12 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 61.94 2yro s VAL 117 Cb -0.05 -0.55 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2yro s VAL 117 CO 0.15 0.04 1.51 -2.28 0.00 0.00 0.00 175.10 174.52 2yro s HIS 118 N 1.22 2.22 0.02 5.22 2.46 -1.26 0.38 115.29 125.54 2yro s HIS 118 Ca -0.08 -0.13 -0.05 0.00 0.47 0.00 0.00 55.06 55.27 2yro s HIS 118 Cb -0.08 -4.50 -0.02 0.00 -0.13 0.00 0.00 32.58 27.85 2yro s HIS 118 CO -0.10 -2.01 1.08 1.03 -2.47 0.00 0.00 174.74 172.26 2yro h SER 119 N 10.80 -0.24 -5.76 9.88 0.87 -1.83 -3.47 113.55 123.80 2yro h SER 119 Ca -0.05 0.03 -0.39 0.00 -1.23 0.00 0.00 61.79 60.15 2yro h SER 119 Cb 1.04 0.09 -0.12 0.00 -0.44 0.00 0.00 62.40 62.97 2yro h SER 119 CO 1.32 -0.07 -0.43 -1.48 -0.53 0.00 0.00 176.83 175.63 2yro s LEU 120 N -5.74 1.47 0.05 2.23 -0.00 -1.26 -4.87 118.68 110.56 2yro s LEU 120 Ca -0.02 -1.63 0.04 0.00 -0.00 0.00 0.00 54.13 52.52 2yro s LEU 120 Cb 0.01 0.76 -0.03 0.00 -0.00 0.00 0.00 46.19 46.94 2yro s LEU 120 CO 0.09 -1.09 -0.12 -1.61 -0.00 0.00 0.00 176.35 173.62 2yro s GLU 121 N -3.47 0.73 -0.08 1.48 2.02 -1.26 -4.01 118.70 114.11 2yro s GLU 121 Ca 0.38 -0.82 -0.06 0.00 0.02 0.00 0.00 54.97 54.48 2yro s GLU 121 Cb 0.02 -0.67 0.03 0.00 0.10 0.00 0.00 34.13 33.62 2yro s GLU 121 CO 0.23 0.15 0.21 -0.47 0.02 0.00 0.00 175.26 175.40 2yro s TYR 122 N -1.18 -0.25 0.78 1.61 6.14 -1.16 -5.06 117.35 118.24 2yro s TYR 122 Ca -0.04 0.62 -0.12 0.00 0.64 0.00 0.00 57.07 58.17 2yro s TYR 122 Cb -0.09 0.05 0.07 0.00 0.42 0.00 0.00 41.96 42.41 2yro s TYR 122 CO 0.01 -0.15 1.15 0.15 0.64 0.00 0.00 175.55 177.35 2yro s LYS 123 N 0.59 1.93 -1.12 4.97 3.01 -1.26 -0.15 119.74 127.71 2yro s LYS 123 Ca -0.04 1.50 -0.23 0.00 -1.01 0.00 0.00 55.97 56.19 2yro s LYS 123 Cb -0.05 -1.84 -0.10 0.00 -1.01 0.00 0.00 37.83 34.83 2yro s LYS 123 CO -0.03 -1.94 1.93 0.72 0.51 0.00 0.00 175.35 176.54 2yro n HIS 124 N -3.32 2.56 -0.29 3.18 8.25 -1.25 -4.39 115.22 119.95 2yro n HIS 124 Ca 0.11 -1.47 0.06 0.00 -0.26 0.00 0.00 57.72 56.17 2yro n HIS 124 Cb 0.52 -2.49 0.21 0.00 1.12 0.00 0.00 29.99 29.35 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 9.50 0.58 -6.11 -0.41 9.65 -1.88 -3.40 114.38 122.31 2yro h ARG 125 Ca 0.24 -0.04 -0.59 0.00 -1.10 0.00 0.00 59.98 58.50 2yro h ARG 125 Cb 0.90 -0.13 -0.05 0.00 -1.39 0.00 0.00 29.97 29.30 2yro h ARG 125 CO 1.32 0.39 -0.12 0.12 2.80 0.00 0.00 179.97 184.48 2yro s PHE 126 N -5.98 3.76 -0.05 2.20 5.36 -1.26 -5.02 117.98 116.98 2yro s PHE 126 Ca -0.12 1.13 -0.02 0.00 -0.96 0.00 0.00 56.93 56.96 2yro s PHE 126 Cb 0.21 -2.40 -0.01 0.00 -0.34 0.00 0.00 43.02 40.49 2yro s PHE 126 CO 0.78 0.60 -0.03 0.87 -1.46 0.00 0.00 175.22 175.98 2yro h LYS 127 N 4.70 0.00 -5.60 10.12 1.79 -1.98 -3.44 116.57 122.16 2yro h LYS 127 Ca -0.50 0.00 -0.52 0.00 -2.18 0.00 0.00 60.65 57.45 2yro h LYS 127 Cb 1.22 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.85 2yro h LYS 127 CO 0.63 0.00 1.61 -1.91 -1.08 0.00 0.00 179.45 178.70 2yro n GLU 128 N -3.24 0.96 -0.03 3.15 4.07 -1.26 -4.76 120.64 119.52 2yro n GLU 128 Ca -0.01 0.11 -0.10 0.00 -0.06 0.00 0.00 57.16 57.09 2yro n GLU 128 Cb 0.04 -2.90 -0.14 0.00 -0.06 0.00 0.00 31.44 28.38 2yro n GLU 128 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 2yro n LEU 129 N 13.45 0.92 -0.84 4.31 4.77 -1.26 -3.99 117.00 134.36 2yro n LEU 129 Ca 0.42 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.73 2yro n LEU 129 Cb 0.39 0.10 0.06 0.00 -2.33 0.00 0.00 43.42 41.63 2yro n LEU 129 CO 0.76 0.45 0.42 -1.20 -1.33 0.00 0.00 177.39 176.48 2yro n SER 130 N -3.04 2.09 -0.07 -1.43 7.64 -1.24 -3.47 113.62 114.10 2yro n SER 130 Ca -0.21 -2.18 -0.09 0.00 1.01 0.00 0.00 58.87 57.40 2yro n SER 130 Cb 1.07 -0.54 -0.08 0.00 -1.01 0.00 0.00 64.21 63.65 2yro n SER 130 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 2yro n SER 131 N 0.13 2.56 -4.49 6.43 3.41 -1.26 -4.77 113.62 115.64 2yro n SER 131 Ca 0.06 -0.05 -0.52 0.00 -0.26 0.00 0.00 58.87 58.10 2yro n SER 131 Cb 0.47 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.48 2yro n SER 131 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 2yro n ILE 132 N -2.76 0.23 0.00 -1.33 5.41 -1.23 -4.35 119.36 115.33 2yro n ILE 132 Ca -0.24 -0.21 0.00 0.00 1.00 0.00 0.00 62.75 63.30 2yro n ILE 132 Cb 0.82 -1.56 0.00 0.00 -0.71 0.00 0.00 39.64 38.19 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 8.87 1.92 -4.64 4.38 5.75 -1.25 -2.07 116.55 129.51 2yro n ASP 133 Ca 0.38 0.00 -0.40 0.00 -0.01 0.00 0.00 54.79 54.76 2yro n ASP 133 Cb 0.21 0.05 -0.06 0.00 -1.03 0.00 0.00 41.12 40.29 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 2yro s THR 134 N -1.46 5.02 -0.39 2.12 2.01 -1.18 -0.08 115.64 121.68 2yro s THR 134 Ca 0.00 1.12 -0.06 0.00 0.31 0.00 0.00 61.69 63.05 2yro s THR 134 Cb 0.00 -3.92 0.08 0.00 0.01 0.00 0.00 72.50 68.67 2yro s THR 134 CO 0.00 0.08 0.20 -0.22 -0.69 0.00 0.00 174.62 173.99 2yro s LEU 135 N 2.15 4.94 -0.18 4.42 2.96 0.72 -3.04 118.68 130.65 2yro s LEU 135 Ca 0.27 -1.58 -0.09 0.00 -0.22 0.00 0.00 54.13 52.51 2yro s LEU 135 Cb -0.16 -1.90 -0.05 0.00 0.50 0.00 0.00 46.19 44.59 2yro s LEU 135 CO 0.09 -0.49 0.11 -1.61 -1.32 0.00 0.00 176.35 173.13 2yro s GLU 136 N 1.33 4.00 -0.03 1.98 2.02 -0.37 -2.75 118.70 124.88 2yro s GLU 136 Ca 0.03 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.75 2yro s GLU 136 Cb -0.22 -3.31 0.03 0.00 0.10 0.00 0.00 34.13 30.73 2yro s GLU 136 CO 0.00 0.36 0.05 0.42 0.02 0.00 0.00 175.26 176.11 2yro s ILE 137 N 0.17 -0.08 0.27 -1.63 1.01 -0.16 -0.36 121.20 120.42 2yro s ILE 137 Ca 0.07 0.29 0.02 0.00 0.00 0.00 0.00 60.65 61.03 2yro s ILE 137 Cb -0.12 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.20 2yro s ILE 137 CO -0.01 0.12 0.15 0.20 0.00 0.00 0.00 174.94 175.40 2yro s ASN 138 N 1.48 1.14 0.00 3.58 -0.87 -0.71 -0.43 114.94 119.12 2yro s ASN 138 Ca -0.04 -1.49 0.00 0.00 -1.57 0.00 0.00 52.86 49.76 2yro s ASN 138 Cb -0.13 0.35 0.00 0.00 -0.02 0.00 0.00 41.25 41.45 2yro s ASN 138 CO -0.03 -0.85 0.00 0.61 -2.57 0.00 0.00 177.10 174.25 2yro n GLY 139 N -0.48 0.97 2.43 0.66 0.00 -1.26 -0.72 105.19 106.78 2yro n GLY 139 Ca 0.02 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.76 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 2.72 7.34 -4.51 1.61 8.00 -1.11 -4.95 116.55 125.64 2yro n ASP 140 Ca 0.00 -3.79 -0.25 0.00 0.71 0.00 0.00 54.79 51.46 2yro n ASP 140 Cb 0.00 -0.92 -0.11 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 -4.88 1.99 -0.41 0.53 -5.25 -1.26 -4.04 121.20 107.88 2yro s ILE 141 Ca 0.60 -2.15 -0.09 0.00 -0.99 0.00 0.00 60.65 58.03 2yro s ILE 141 Cb 0.48 -2.63 0.07 0.00 2.95 0.00 0.00 42.46 43.33 2yro s ILE 141 CO -0.10 -0.20 0.24 -2.28 -1.79 0.00 0.00 174.94 170.82 2yro s HIS 142 N -2.77 3.34 0.49 1.37 5.65 -0.10 -4.83 115.29 118.43 2yro s HIS 142 Ca 0.32 -1.54 -0.21 0.00 0.25 0.00 0.00 55.06 53.88 2yro s HIS 142 Cb 0.04 -2.90 -0.07 0.00 -1.18 0.00 0.00 32.58 28.47 2yro s HIS 142 CO 0.15 -0.84 1.11 -1.17 -0.65 0.00 0.00 174.74 173.35 2yro s LEU 143 N 1.42 3.90 0.01 8.88 2.96 -1.26 -1.64 118.68 132.95 2yro s LEU 143 Ca 0.03 2.15 -0.05 0.00 -0.22 0.00 0.00 54.13 56.03 2yro s LEU 143 Cb -0.23 -4.42 -0.02 0.00 0.50 0.00 0.00 46.19 42.03 2yro s LEU 143 CO 0.02 -0.93 -0.11 0.18 -1.32 0.00 0.00 176.35 174.19 2yro n LEU 144 N -0.81 1.31 -3.57 -0.68 4.77 -0.72 -2.01 117.00 115.28 2yro n LEU 144 Ca 0.09 0.19 -0.09 0.00 -0.03 0.00 0.00 56.01 56.17 2yro n LEU 144 Cb 0.50 -0.45 -0.04 0.00 -2.33 0.00 0.00 43.42 41.10 2yro n LEU 144 CO 0.44 -0.55 0.80 -0.70 -1.33 0.00 0.00 177.39 176.05 2yro s GLU 145 N -2.27 0.57 -0.18 3.23 2.12 -0.99 -3.17 118.70 118.01 2yro s GLU 145 Ca -0.09 0.06 -0.02 0.00 0.36 0.00 0.00 54.97 55.27 2yro s GLU 145 Cb 0.01 0.27 -0.01 0.00 0.26 0.00 0.00 34.13 34.66 2yro s GLU 145 CO 0.13 -0.19 -0.08 0.08 -0.54 0.00 0.00 175.26 174.66 2yro s VAL 146 N -1.46 3.25 0.05 3.70 1.01 -1.26 -2.43 120.40 123.25 2yro s VAL 146 Ca 0.01 -0.56 0.07 0.00 0.00 0.00 0.00 61.98 61.50 2yro s VAL 146 Cb -0.01 -2.43 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2yro s VAL 146 CO -0.01 0.47 -0.18 -0.13 0.00 0.00 0.00 175.10 175.26 2yro s ARG 147 N 0.92 2.06 -0.18 2.72 0.52 -1.09 -5.01 118.95 118.90 2yro s ARG 147 Ca -0.02 -0.99 -0.04 0.00 -0.52 0.00 0.00 55.73 54.16 2yro s ARG 147 Cb -0.15 -2.19 0.08 0.00 0.52 0.00 0.00 34.95 33.21 2yro s ARG 147 CO 0.00 0.54 0.24 -1.54 0.02 0.00 0.00 175.30 174.56 2yro s SER 148 N -1.50 0.97 0.11 0.23 1.04 -1.26 -0.74 113.70 112.55 2yro s SER 148 Ca 0.15 0.08 0.04 0.00 0.48 0.00 0.00 55.95 56.70 2yro s SER 148 Cb -0.11 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.48 2yro s SER 148 CO 0.06 -0.29 -0.11 -1.66 0.98 0.00 0.00 173.24 172.21 2yro s TRP 149 N 2.36 1.19 0.06 5.02 -2.14 -0.91 -4.94 118.94 119.58 2yro s TRP 149 Ca 0.05 -0.65 0.08 0.00 2.66 0.00 0.00 56.10 58.25 2yro s TRP 149 Cb -0.14 -0.63 -0.03 0.00 -3.10 0.00 0.00 33.47 29.56 2yro s TRP 149 CO -0.11 0.05 -0.20 -1.54 -2.66 0.00 0.00 176.95 172.50 2yro s SER 150 N -2.57 3.69 0.00 -2.66 1.04 -1.26 -2.02 113.70 109.92 2yro s SER 150 Ca 0.08 -0.49 0.00 0.00 0.48 0.00 0.00 55.95 56.02 2yro s SER 150 Cb -0.02 -0.53 0.00 0.00 0.10 0.00 0.00 66.02 65.57 2yro s SER 150 CO 0.01 0.24 0.00 0.61 0.98 0.00 0.00 173.24 175.08 2yro n GLY 151 N 1.42 5.39 3.74 7.32 0.00 -1.26 -5.05 105.19 116.74 2yro n GLY 151 Ca -0.16 -1.75 -0.30 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.21 1.74 0.09 1.61 0.04 -1.26 -4.98 135.00 132.02 2yro s PRO 152 Ca 0.00 0.99 -0.18 0.00 0.04 0.00 0.00 61.00 61.85 2yro s PRO 152 Cb 0.00 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.61 2yro s PRO 152 CO 0.00 -1.95 1.50 0.77 0.04 0.00 0.00 177.00 177.36 2yro h SER 153 N -1.35 0.49 -4.76 6.66 0.02 -2.01 -3.47 113.55 109.13 2yro h SER 153 Ca -0.47 -0.34 -0.00 0.00 -0.84 0.00 0.00 61.79 60.14 2yro h SER 153 Cb 1.26 -0.13 -0.18 0.00 0.14 0.00 0.00 62.40 63.48 2yro h SER 153 CO 0.53 0.71 0.31 -0.55 -1.14 0.00 0.00 176.83 176.69 2yro s SER 154 N -6.04 -0.54 0.00 3.07 0.15 -1.26 -5.17 113.70 103.91 2yro s SER 154 Ca -0.13 0.43 0.00 0.00 0.70 0.00 0.00 55.95 56.95 2yro s SER 154 Cb 0.08 0.48 0.00 0.00 -1.71 0.00 0.00 66.02 64.87 2yro s SER 154 CO 0.76 -0.62 0.00 0.61 1.20 0.00 0.00 173.24 175.19