#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 5.44 -0.50 1.61 0.01 -1.26 -4.96 113.70 114.04 2yro s SER 2 Ca 0.00 -1.80 -0.02 0.00 1.31 0.00 0.00 55.95 55.44 2yro s SER 2 Cb 0.00 -1.91 0.26 0.00 0.21 0.00 0.00 66.02 64.59 2yro s SER 2 CO 0.00 -0.56 2.18 -1.54 0.41 0.00 0.00 173.24 173.73 2yro n SER 3 N 4.76 6.93 -4.55 2.44 3.41 -1.26 -4.93 113.62 120.41 2yro n SER 3 Ca -0.07 -3.37 -0.33 0.00 -0.26 0.00 0.00 58.87 54.84 2yro n SER 3 Cb 0.42 -1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.26 2yro n SER 3 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2yro s GLY 4 N -0.47 -0.21 -0.23 5.00 0.00 -1.26 -4.93 107.32 105.22 2yro s GLY 4 Ca 0.48 -0.45 -0.06 0.00 0.00 0.00 0.00 44.72 44.69 2yro s GLY 4 CO -0.09 3.84 0.03 -0.56 0.00 0.00 0.00 173.10 176.32 2yro s SER 5 N 10.25 4.89 -0.26 1.64 0.01 -1.26 -5.08 113.70 123.88 2yro s SER 5 Ca 0.84 -0.23 -0.24 0.00 1.31 0.00 0.00 55.95 57.62 2yro s SER 5 Cb -0.14 -1.86 0.07 0.00 0.21 0.00 0.00 66.02 64.30 2yro s SER 5 CO 0.20 0.00 0.70 -0.94 0.41 0.00 0.00 173.24 173.61 2yro s SER 6 N 1.37 -0.73 -0.11 2.44 1.04 -1.26 -5.14 113.70 111.32 2yro s SER 6 Ca 0.05 1.41 -0.09 0.00 0.48 0.00 0.00 55.95 57.80 2yro s SER 6 Cb -0.15 1.43 0.03 0.00 0.10 0.00 0.00 66.02 67.44 2yro s SER 6 CO 0.02 -0.24 0.28 -0.83 0.98 0.00 0.00 173.24 173.44 2yro s GLY 7 N 0.38 -0.20 0.74 7.32 0.00 -1.26 -5.12 107.32 109.18 2yro s GLY 7 Ca -0.00 0.90 -0.12 0.00 0.00 0.00 0.00 44.72 45.50 2yro s GLY 7 CO 0.01 0.90 1.10 2.56 0.00 0.00 0.00 173.10 177.67 2yro s PRO 8 N 0.53 2.43 0.06 2.90 0.04 -1.26 -5.07 135.00 134.61 2yro s PRO 8 Ca -0.03 1.24 0.03 0.00 0.04 0.00 0.00 61.00 62.28 2yro s PRO 8 Cb -0.05 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 32.55 2yro s PRO 8 CO -0.03 -1.52 -0.10 0.21 0.04 0.00 0.00 177.00 175.60 2yro s LYS 9 N -4.65 0.65 0.07 4.56 2.47 -1.26 -5.16 119.74 116.43 2yro s LYS 9 Ca 0.63 -0.85 0.02 0.00 -1.56 0.00 0.00 55.97 54.21 2yro s LYS 9 Cb -0.18 -0.51 -0.03 0.00 -1.46 0.00 0.00 37.83 35.64 2yro s LYS 9 CO 0.51 0.10 -0.08 -1.54 0.16 0.00 0.00 175.35 174.51 2yro s SER 10 N -1.67 1.06 0.00 1.43 1.04 -1.26 -4.98 113.70 109.32 2yro s SER 10 Ca -0.06 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.58 2yro s SER 10 Cb -0.10 0.06 0.00 0.00 0.10 0.00 0.00 66.02 66.08 2yro s SER 10 CO 0.01 -0.33 0.00 0.61 0.98 0.00 0.00 173.24 174.51 2yro n GLY 11 N 0.68 0.85 3.38 7.32 0.00 -1.26 -5.15 105.19 111.01 2yro n GLY 11 Ca -0.17 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.91 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 -1.81 0.04 1.20 2.61 -4.23 -1.26 -5.18 115.64 107.02 2yro s THR 12 Ca 0.00 -0.29 -0.19 0.00 -1.18 0.00 0.00 61.69 60.02 2yro s THR 12 Cb 0.00 -1.01 0.29 0.00 1.34 0.00 0.00 72.50 73.11 2yro s THR 12 CO 0.00 -0.16 1.11 -2.16 -0.54 0.00 0.00 174.62 172.87 2yro s PRO 13 N -2.87 -1.24 0.10 3.99 0.04 -1.26 -5.03 135.00 128.72 2yro s PRO 13 Ca -0.03 -0.07 0.09 0.00 0.04 0.00 0.00 61.00 61.03 2yro s PRO 13 Cb -0.00 -1.59 -0.04 0.00 0.04 0.00 0.00 34.50 32.91 2yro s PRO 13 CO -0.05 -3.72 -0.24 1.14 0.04 0.00 0.00 177.00 174.16 2yro s GLN 14 N -5.41 1.35 0.56 4.56 -2.07 -1.22 -4.32 119.66 113.11 2yro s GLN 14 Ca 0.71 -1.21 0.08 0.00 -1.82 0.00 0.00 55.36 53.11 2yro s GLN 14 Cb -0.10 -1.70 0.06 0.00 -1.09 0.00 0.00 33.01 30.19 2yro s GLN 14 CO 0.56 0.41 0.62 -0.51 -1.32 0.00 0.00 175.29 175.05 2yro s LEU 15 N -1.82 2.95 0.08 2.60 1.43 -1.03 -4.95 118.68 117.94 2yro s LEU 15 Ca 0.10 -1.01 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 2yro s LEU 15 Cb -0.10 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 2yro s LEU 15 CO 0.04 -1.23 -0.14 -0.94 0.23 0.00 0.00 176.35 174.32 2yro s SER 16 N -4.49 1.71 0.10 2.29 1.04 -1.26 -4.34 113.70 108.75 2yro s SER 16 Ca 0.50 -0.65 0.03 0.00 0.48 0.00 0.00 55.95 56.31 2yro s SER 16 Cb -0.04 -0.05 -0.04 0.00 0.10 0.00 0.00 66.02 65.99 2yro s SER 16 CO 0.31 -0.09 0.15 -0.76 0.98 0.00 0.00 173.24 173.84 2yro s LEU 17 N -1.86 4.03 0.20 2.42 1.43 -1.26 -3.16 118.68 120.48 2yro s LEU 17 Ca -0.00 0.07 -0.30 0.00 -1.03 0.00 0.00 54.13 52.86 2yro s LEU 17 Cb -0.09 -2.66 -0.09 0.00 0.03 0.00 0.00 46.19 43.39 2yro s LEU 17 CO 0.02 0.13 1.30 -2.16 0.23 0.00 0.00 176.35 175.88 2yro s PRO 18 N -2.68 4.39 -0.52 1.29 0.04 -1.26 -5.07 135.00 131.18 2yro s PRO 18 Ca 0.32 2.05 -0.24 0.00 0.04 0.00 0.00 61.00 63.16 2yro s PRO 18 Cb -0.12 -3.20 0.04 0.00 0.04 0.00 0.00 34.50 31.26 2yro s PRO 18 CO 0.25 -0.25 0.92 0.12 0.04 0.00 0.00 177.00 178.08 2yro s PHE 19 N 0.11 2.84 -0.33 0.56 5.36 0.77 -4.94 117.98 122.35 2yro s PHE 19 Ca 0.56 0.07 0.03 0.00 -0.96 0.00 0.00 56.93 56.63 2yro s PHE 19 Cb -0.36 -4.01 0.10 0.00 -0.34 0.00 0.00 43.02 38.41 2yro s PHE 19 CO 0.38 -1.26 0.07 0.00 -1.46 0.00 0.00 175.22 172.95 2yro s ALA 20 N 3.83 2.51 0.02 11.12 0.00 -1.26 -0.69 121.76 137.28 2yro s ALA 20 Ca 0.31 -2.30 -0.00 0.00 0.00 0.00 0.00 51.96 49.97 2yro s ALA 20 Cb -0.12 -1.87 -0.02 0.00 0.00 0.00 0.00 23.12 21.11 2yro s ALA 20 CO 0.21 -1.69 -0.02 0.00 0.00 0.00 0.00 175.76 174.26 2yro s ALA 21 N 1.09 0.11 -0.10 0.00 0.00 -1.18 -5.02 121.76 116.66 2yro s ALA 21 Ca 0.11 -0.60 -0.00 0.00 0.00 0.00 0.00 51.96 51.47 2yro s ALA 21 Cb -0.19 0.16 -0.03 0.00 0.00 0.00 0.00 23.12 23.06 2yro s ALA 21 CO -0.13 -0.17 -0.08 -0.98 0.00 0.00 0.00 175.76 174.39 2yro s ARG 22 N -1.59 3.05 0.15 0.00 3.03 -1.26 -0.87 118.95 121.45 2yro s ARG 22 Ca -0.15 -0.59 -0.30 0.00 2.03 0.00 0.00 55.73 56.73 2yro s ARG 22 Cb -0.09 -2.65 -0.07 0.00 -1.03 0.00 0.00 34.95 31.11 2yro s ARG 22 CO -0.01 0.48 1.20 -0.51 -1.13 0.00 0.00 175.30 175.32 2yro s LEU 23 N -0.31 4.43 0.29 -1.89 1.43 0.35 -4.90 118.68 118.08 2yro s LEU 23 Ca 0.04 2.16 0.09 0.00 -1.03 0.00 0.00 54.13 55.39 2yro s LEU 23 Cb -0.13 -3.60 0.88 0.00 0.03 0.00 0.00 46.19 43.37 2yro s LEU 23 CO 0.02 -0.39 1.35 0.59 0.23 0.00 0.00 176.35 178.15 2yro n ASN 24 N 2.96 0.08 -4.34 2.29 4.13 -1.26 -4.37 115.26 114.74 2yro n ASN 24 Ca 0.06 1.44 -0.23 0.00 1.68 0.00 0.00 54.58 57.53 2yro n ASN 24 Cb 0.45 -0.60 -0.11 0.00 -1.54 0.00 0.00 39.78 37.98 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2yro s THR 25 N -5.59 1.91 -0.01 3.41 -4.23 -1.26 -5.11 115.64 104.76 2yro s THR 25 Ca -0.10 -1.90 -0.30 0.00 -1.18 0.00 0.00 61.69 58.21 2yro s THR 25 Cb 0.27 -1.87 -0.06 0.00 1.34 0.00 0.00 72.50 72.19 2yro s THR 25 CO 0.67 -0.25 1.46 -2.16 -0.54 0.00 0.00 174.62 173.80 2yro s PRO 26 N -2.67 4.25 1.13 3.99 0.04 -1.26 -4.84 135.00 135.64 2yro s PRO 26 Ca 0.16 2.02 -0.19 0.00 0.04 0.00 0.00 61.00 63.03 2yro s PRO 26 Cb -0.07 -3.64 0.27 0.00 0.04 0.00 0.00 34.50 31.10 2yro s PRO 26 CO 0.07 -0.64 1.23 0.00 0.04 0.00 0.00 177.00 177.70 2yro s MET 27 N 2.72 -0.67 0.00 4.56 0.23 0.91 -4.86 119.30 122.19 2yro s MET 27 Ca 0.66 -0.36 0.00 0.00 -1.03 0.00 0.00 55.69 54.96 2yro s MET 27 Cb -0.32 -1.69 0.00 0.00 -1.53 0.00 0.00 34.83 31.29 2yro s MET 27 CO 0.27 -3.29 0.00 0.41 -2.03 0.00 0.00 175.02 170.37 2yro n GLY 28 N -2.35 -0.71 3.77 3.16 0.00 -1.23 -3.70 105.19 104.13 2yro n GLY 28 Ca 0.16 -0.33 -0.37 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.14 3.80 0.00 1.61 0.04 -1.26 -3.03 135.00 135.02 2yro s PRO 29 Ca 0.00 1.79 0.00 0.00 0.04 0.00 0.00 61.00 62.83 2yro s PRO 29 Cb 0.00 -2.45 0.00 0.00 0.04 0.00 0.00 34.50 32.09 2yro s PRO 29 CO 0.00 -0.52 0.00 0.41 0.04 0.00 0.00 177.00 176.93 2yro n GLY 30 N 0.48 2.97 3.88 0.56 0.00 0.28 -4.99 105.19 108.37 2yro n GLY 30 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.07 3.66 -0.17 1.61 1.81 -1.17 -3.96 118.95 120.67 2yro s ARG 31 Ca 0.00 0.56 -0.02 0.00 -1.72 0.00 0.00 55.73 54.56 2yro s ARG 31 Cb 0.00 -2.23 0.05 0.00 -0.45 0.00 0.00 34.95 32.32 2yro s ARG 31 CO 0.00 -0.33 -0.00 0.99 -0.68 0.00 0.00 175.30 175.28 2yro s THR 32 N -2.83 0.75 -0.31 0.02 2.01 -0.56 -3.08 115.64 111.64 2yro s THR 32 Ca 0.53 -0.54 -0.09 0.00 0.31 0.00 0.00 61.69 61.89 2yro s THR 32 Cb -0.11 -1.10 -0.00 0.00 0.01 0.00 0.00 72.50 71.30 2yro s THR 32 CO 0.44 -0.04 0.14 -0.69 -0.69 0.00 0.00 174.62 173.78 2yro s VAL 33 N 1.77 4.47 0.05 3.82 1.01 -0.25 -2.34 120.40 128.93 2yro s VAL 33 Ca -0.00 -0.50 0.03 0.00 0.00 0.00 0.00 61.98 61.51 2yro s VAL 33 Cb -0.16 -3.30 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 2yro s VAL 33 CO -0.07 0.05 0.01 0.68 0.00 0.00 0.00 175.10 175.77 2yro s VAL 34 N 1.59 4.12 -0.30 2.92 -7.23 -0.44 -0.02 120.40 121.03 2yro s VAL 34 Ca 0.04 -0.81 0.03 0.00 -1.81 0.00 0.00 61.98 59.43 2yro s VAL 34 Cb -0.17 -2.91 0.08 0.00 0.56 0.00 0.00 36.38 33.94 2yro s VAL 34 CO 0.05 0.22 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.37 2yro s VAL 35 N -1.23 2.07 -0.26 1.32 1.01 0.44 -2.89 120.40 120.86 2yro s VAL 35 Ca 0.24 -1.92 -0.16 0.00 0.00 0.00 0.00 61.98 60.14 2yro s VAL 35 Cb -0.12 -2.38 -0.04 0.00 0.00 0.00 0.00 36.38 33.85 2yro s VAL 35 CO 0.15 -0.36 0.40 -0.54 0.00 0.00 0.00 175.10 174.76 2yro s LYS 36 N 1.07 4.05 0.03 2.72 1.02 -1.08 -2.74 119.74 124.81 2yro s LYS 36 Ca 0.02 0.12 -0.01 0.00 0.02 0.00 0.00 55.97 56.12 2yro s LYS 36 Cb -0.19 -3.64 0.01 0.00 -0.52 0.00 0.00 37.83 33.48 2yro s LYS 36 CO -0.08 -0.26 0.07 0.41 -0.92 0.00 0.00 175.35 174.57 2yro n GLY 37 N 4.54 1.73 3.13 -3.33 0.00 -1.24 -2.31 105.19 107.70 2yro n GLY 37 Ca -0.08 -1.01 -0.12 0.00 0.00 0.00 0.00 46.02 44.82 2yro n GLY 37 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2yro s GLU 38 N -2.01 0.40 0.18 1.61 2.02 -0.32 -3.38 118.70 117.21 2yro s GLU 38 Ca 0.02 -0.00 -0.10 0.00 0.02 0.00 0.00 54.97 54.90 2yro s GLU 38 Cb -0.00 0.18 -0.07 0.00 0.10 0.00 0.00 34.13 34.34 2yro s GLU 38 CO 0.01 -0.08 0.51 0.08 0.02 0.00 0.00 175.26 175.79 2yro s VAL 39 N -0.61 4.97 0.30 2.63 1.01 -0.92 -0.51 120.40 127.27 2yro s VAL 39 Ca -0.07 0.49 -0.23 0.00 0.00 0.00 0.00 61.98 62.18 2yro s VAL 39 Cb -0.04 -3.65 -0.09 0.00 0.00 0.00 0.00 36.38 32.60 2yro s VAL 39 CO 0.01 0.06 0.86 0.20 0.00 0.00 0.00 175.10 176.23 2yro s ASN 40 N -2.14 7.17 0.48 3.32 0.01 -1.26 -1.39 114.94 121.13 2yro s ASN 40 Ca 0.42 1.64 0.21 0.00 -0.71 0.00 0.00 52.86 54.43 2yro s ASN 40 Cb -0.13 -2.51 1.23 0.00 0.41 0.00 0.00 41.25 40.26 2yro s ASN 40 CO 0.21 -0.07 1.94 0.00 -1.51 0.00 0.00 177.10 177.67 2yro h ALA 41 N 3.08 2.34 -0.45 0.60 0.00 -1.93 -0.17 119.26 122.73 2yro h ALA 41 Ca -0.47 -0.01 -0.28 0.00 0.00 0.00 0.00 54.91 54.14 2yro h ALA 41 Cb 1.19 -0.01 -0.18 0.00 0.00 0.00 0.00 17.79 18.79 2yro h ALA 41 CO 0.65 -0.53 -0.23 -1.71 0.00 0.00 0.00 179.25 177.42 2yro n ASN 42 N -4.42 3.36 -4.71 0.00 5.15 -1.26 -4.75 115.26 108.62 2yro n ASN 42 Ca 0.13 -3.81 -0.42 0.00 -0.60 0.00 0.00 54.58 49.89 2yro n ASN 42 Cb 0.61 -0.59 -0.03 0.00 -0.53 0.00 0.00 39.78 39.24 2yro n ASN 42 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2yro s ALA 43 N -3.38 3.16 -0.08 5.20 0.00 -0.08 -4.97 121.76 121.61 2yro s ALA 43 Ca 0.47 0.54 -0.14 0.00 0.00 0.00 0.00 51.96 52.84 2yro s ALA 43 Cb 0.41 -3.34 -0.10 0.00 0.00 0.00 0.00 23.12 20.09 2yro s ALA 43 CO -0.01 -0.23 0.51 -0.22 0.00 0.00 0.00 175.76 175.81 2yro h LYS 44 N 6.79 -0.18 -1.37 0.00 1.63 -1.89 -3.47 116.57 118.08 2yro h LYS 44 Ca -0.41 0.01 0.22 0.00 -0.85 0.00 0.00 60.65 59.62 2yro h LYS 44 Cb 1.22 0.04 -0.22 0.00 -0.60 0.00 0.00 32.23 32.67 2yro h LYS 44 CO 0.75 0.13 0.81 -1.54 -3.45 0.00 0.00 179.45 176.15 2yro s SER 45 N -5.49 -0.15 0.43 4.20 1.04 -1.26 -3.59 113.70 108.89 2yro s SER 45 Ca -0.08 0.08 0.03 0.00 0.48 0.00 0.00 55.95 56.46 2yro s SER 45 Cb -0.00 0.14 -0.03 0.00 0.10 0.00 0.00 66.02 66.23 2yro s SER 45 CO 0.29 -0.19 0.07 0.72 0.98 0.00 0.00 173.24 175.11 2yro s PHE 46 N -1.77 1.90 -0.03 5.02 -0.71 -1.25 -2.45 117.98 118.69 2yro s PHE 46 Ca 0.07 -1.08 -0.30 0.00 -1.04 0.00 0.00 56.93 54.58 2yro s PHE 46 Cb -0.01 -1.38 0.07 0.00 -1.21 0.00 0.00 43.02 40.50 2yro s PHE 46 CO -0.05 -0.02 0.70 0.54 -1.34 0.00 0.00 175.22 175.05 2yro s ASN 47 N -3.69 -0.62 -0.21 1.98 4.22 0.06 -2.85 114.94 113.83 2yro s ASN 47 Ca 0.21 0.58 -0.00 0.00 -2.14 0.00 0.00 52.86 51.51 2yro s ASN 47 Cb 0.04 0.53 0.06 0.00 1.28 0.00 0.00 41.25 43.15 2yro s ASN 47 CO 0.11 -0.64 -0.04 -0.69 -2.04 0.00 0.00 177.10 173.80 2yro s VAL 48 N -1.58 1.27 -0.41 3.54 1.01 -1.00 -1.52 120.40 121.72 2yro s VAL 48 Ca -0.08 -0.98 -0.16 0.00 0.00 0.00 0.00 61.98 60.76 2yro s VAL 48 Cb -0.00 -1.56 0.02 0.00 0.00 0.00 0.00 36.38 34.84 2yro s VAL 48 CO 0.06 -0.06 0.38 -1.81 0.00 0.00 0.00 175.10 173.67 2yro s ASP 49 N 1.52 6.16 -0.40 3.32 1.01 0.37 -3.25 116.67 125.40 2yro s ASP 49 Ca -0.03 -0.70 -0.11 0.00 0.71 0.00 0.00 52.55 52.42 2yro s ASP 49 Cb -0.18 -2.20 0.06 0.00 1.01 0.00 0.00 42.92 41.61 2yro s ASP 49 CO -0.07 -0.51 0.25 -0.22 0.21 0.00 0.00 175.17 174.84 2yro s LEU 50 N 1.96 5.01 0.41 1.23 2.96 -1.06 -1.47 118.68 127.71 2yro s LEU 50 Ca 0.10 -1.27 0.05 0.00 -0.22 0.00 0.00 54.13 52.79 2yro s LEU 50 Cb -0.18 -2.02 -0.06 0.00 0.50 0.00 0.00 46.19 44.43 2yro s LEU 50 CO 0.12 -0.48 0.03 -1.48 -1.32 0.00 0.00 176.35 173.21 2yro s LEU 51 N 1.50 2.57 -0.37 -0.68 0.05 -1.18 -0.15 118.68 120.43 2yro s LEU 51 Ca 0.02 -1.43 -0.07 0.00 0.05 0.00 0.00 54.13 52.70 2yro s LEU 51 Cb -0.21 -0.71 0.05 0.00 -2.05 0.00 0.00 46.19 43.27 2yro s LEU 51 CO 0.04 -0.58 0.16 0.00 -0.55 0.00 0.00 176.35 175.43 2yro s ALA 52 N -2.90 3.14 0.51 1.48 0.00 -0.23 -3.21 121.76 120.54 2yro s ALA 52 Ca 0.30 -1.91 0.43 0.00 0.00 0.00 0.00 51.96 50.78 2yro s ALA 52 Cb 0.08 -2.41 1.62 0.00 0.00 0.00 0.00 23.12 22.41 2yro s ALA 52 CO 0.15 -1.46 1.54 0.41 0.00 0.00 0.00 175.76 176.40 2yro n GLY 53 N 4.84 -0.92 0.43 0.00 0.00 -1.26 0.74 105.19 109.02 2yro n GLY 53 Ca -0.11 0.71 -0.14 0.00 0.00 0.00 0.00 46.02 46.48 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 -0.53 0.00 1.61 1.63 -1.93 -3.17 116.57 114.17 2yro h LYS 54 Ca 0.91 0.04 -0.02 0.00 -0.85 0.00 0.00 60.65 60.73 2yro h LYS 54 Cb 3.38 0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 35.10 2yro h LYS 54 CO -0.18 -0.35 -0.45 0.45 -3.45 0.00 0.00 179.45 175.46 2yro n SER 55 N -5.21 1.73 -3.69 4.20 2.88 0.07 -4.98 113.62 108.63 2yro n SER 55 Ca -0.06 -3.56 -0.25 0.00 -1.33 0.00 0.00 58.87 53.67 2yro n SER 55 Cb 0.35 -0.49 -0.06 0.00 -0.75 0.00 0.00 64.21 63.26 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 -1.02 -0.89 -4.00 -1.46 4.01 0.23 -4.86 118.16 110.16 2yro n LYS 56 Ca 0.17 0.08 -0.35 0.00 -0.51 0.00 0.00 58.31 57.70 2yro n LYS 56 Cb 0.72 -2.81 -0.11 0.00 -0.51 0.00 0.00 35.03 32.31 2yro n LYS 56 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 2yro s ASP 57 N -3.34 5.30 -0.58 4.39 2.15 -1.22 -4.80 116.67 118.57 2yro s ASP 57 Ca 0.25 -0.06 -0.28 0.00 0.43 0.00 0.00 52.55 52.90 2yro s ASP 57 Cb -0.15 -1.91 0.01 0.00 -0.30 0.00 0.00 42.92 40.56 2yro s ASP 57 CO 0.70 0.10 1.52 -0.63 -0.17 0.00 0.00 175.17 176.69 2yro s ILE 58 N 0.80 3.67 0.04 4.11 1.01 -1.15 -1.07 121.20 128.62 2yro s ILE 58 Ca 0.03 0.53 -0.24 0.00 0.00 0.00 0.00 60.65 60.97 2yro s ILE 58 Cb -0.14 -4.33 -0.17 0.00 0.01 0.00 0.00 42.46 37.83 2yro s ILE 58 CO 0.02 -1.14 1.51 0.00 0.00 0.00 0.00 174.94 175.33 2yro h ALA 59 N 11.87 0.03 -3.75 9.38 0.00 -0.83 -3.13 119.26 132.83 2yro h ALA 59 Ca -0.27 -0.13 -0.32 0.00 0.00 0.00 0.00 54.91 54.19 2yro h ALA 59 Cb 1.11 -0.01 -0.30 0.00 0.00 0.00 0.00 17.79 18.59 2yro h ALA 59 CO 1.19 -0.34 -0.75 -1.17 0.00 0.00 0.00 179.25 178.18 2yro s LEU 60 N -9.70 1.78 -0.29 0.00 2.96 -1.16 -4.18 118.68 108.10 2yro s LEU 60 Ca -0.14 -0.06 0.01 0.00 -0.22 0.00 0.00 54.13 53.71 2yro s LEU 60 Cb 0.04 -0.22 0.08 0.00 0.50 0.00 0.00 46.19 46.60 2yro s LEU 60 CO 0.67 0.01 0.03 -2.28 -1.32 0.00 0.00 176.35 173.46 2yro s HIS 61 N 0.21 2.52 -0.37 5.38 5.65 -0.57 -2.58 115.29 125.54 2yro s HIS 61 Ca -0.02 -2.08 -0.01 0.00 0.25 0.00 0.00 55.06 53.21 2yro s HIS 61 Cb -0.05 -1.99 0.10 0.00 -1.18 0.00 0.00 32.58 29.46 2yro s HIS 61 CO -0.00 -0.85 0.13 -0.51 -0.65 0.00 0.00 174.74 172.85 2yro s LEU 62 N 1.34 4.88 -0.45 8.88 1.43 -1.20 -2.67 118.68 130.90 2yro s LEU 62 Ca 0.04 -1.94 -0.03 0.00 -1.03 0.00 0.00 54.13 51.17 2yro s LEU 62 Cb -0.18 -1.75 0.12 0.00 0.03 0.00 0.00 46.19 44.41 2yro s LEU 62 CO -0.13 -0.45 0.25 0.21 0.23 0.00 0.00 176.35 176.46 2yro s ASN 63 N 1.47 5.26 0.81 2.29 3.04 -1.21 -2.38 114.94 124.23 2yro s ASN 63 Ca 0.07 -2.17 -0.11 0.00 0.04 0.00 0.00 52.86 50.69 2yro s ASN 63 Cb -0.21 -1.84 0.08 0.00 -1.54 0.00 0.00 41.25 37.74 2yro s ASN 63 CO -0.05 -0.52 1.09 -2.16 -3.04 0.00 0.00 177.10 172.43 2yro s PRO 64 N 0.94 1.93 -0.01 0.43 0.04 -1.13 -3.10 135.00 134.10 2yro s PRO 64 Ca 0.10 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.20 2yro s PRO 64 Cb -0.22 -1.87 0.01 0.00 0.04 0.00 0.00 34.50 32.46 2yro s PRO 64 CO -0.04 -1.84 0.01 1.03 0.04 0.00 0.00 177.00 176.20 2yro s ARG 65 N -4.91 -0.01 -0.28 4.56 0.52 -1.09 -3.84 118.95 113.89 2yro s ARG 65 Ca 0.62 0.06 -0.13 0.00 -0.52 0.00 0.00 55.73 55.76 2yro s ARG 65 Cb -0.17 -0.09 -0.12 0.00 0.52 0.00 0.00 34.95 35.09 2yro s ARG 65 CO 0.56 -0.06 -0.35 1.28 0.02 0.00 0.00 175.30 176.76 2yro n LEU 66 N 3.45 2.01 0.00 2.53 4.77 -1.24 -2.78 117.00 125.75 2yro n LEU 66 Ca -0.17 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2yro n LEU 66 Cb 0.57 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2yro n LEU 66 CO 0.25 0.60 0.35 -0.46 -1.33 0.00 0.00 177.39 176.79 2yro n ASN 67 N -4.20 0.00 0.01 -1.43 6.94 -1.25 -0.84 115.26 114.48 2yro n ASN 67 Ca -0.54 0.70 0.12 0.00 -0.02 0.00 0.00 54.58 54.84 2yro n ASN 67 Cb 0.89 -0.33 0.27 0.00 -2.36 0.00 0.00 39.78 38.26 2yro n ASN 67 CO 0.00 0.00 0.00 2.30 -1.03 0.00 0.00 177.26 178.53 2yro n ILE 68 N -2.52 0.08 -3.05 1.53 -0.00 -1.26 -4.97 119.36 109.17 2yro n ILE 68 Ca 0.00 -0.06 -0.13 0.00 -0.00 0.00 0.00 62.75 62.56 2yro n ILE 68 Cb 0.00 0.08 0.07 0.00 -0.00 0.00 0.00 39.64 39.79 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 -1.64 -4.69 -4.75 6.28 5.02 -0.02 -5.03 118.16 113.32 2yro n LYS 69 Ca 0.05 0.64 -0.30 0.00 -2.02 0.00 0.00 58.31 56.68 2yro n LYS 69 Cb 0.36 -5.02 -0.17 0.00 -0.02 0.00 0.00 35.03 30.19 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 -3.27 1.94 -0.15 7.82 0.00 -1.12 -4.86 121.76 122.12 2yro s ALA 70 Ca 0.03 -0.87 -0.22 0.00 0.00 0.00 0.00 51.96 50.91 2yro s ALA 70 Cb -0.00 -0.84 -0.03 0.00 0.00 0.00 0.00 23.12 22.25 2yro s ALA 70 CO 0.55 0.07 0.68 0.12 0.00 0.00 0.00 175.76 177.17 2yro s PHE 71 N 0.71 3.44 -0.09 0.00 2.19 -1.26 -2.68 117.98 120.29 2yro s PHE 71 Ca -0.11 1.07 -0.07 0.00 0.33 0.00 0.00 56.93 58.15 2yro s PHE 71 Cb -0.16 -2.82 -0.04 0.00 -1.31 0.00 0.00 43.02 38.68 2yro s PHE 71 CO 0.02 -0.10 0.17 0.08 1.83 0.00 0.00 175.22 177.22 2yro s VAL 72 N 1.60 5.47 -0.06 3.12 1.01 -1.18 -4.41 120.40 125.94 2yro s VAL 72 Ca 0.32 0.17 -0.02 0.00 0.00 0.00 0.00 61.98 62.45 2yro s VAL 72 Cb -0.16 -3.45 0.04 0.00 0.00 0.00 0.00 36.38 32.81 2yro s VAL 72 CO 0.13 0.55 0.12 -0.13 0.00 0.00 0.00 175.10 175.76 2yro s ARG 73 N -1.23 0.01 0.14 2.72 0.52 -1.25 -3.30 118.95 116.55 2yro s ARG 73 Ca 0.18 0.43 -0.25 0.00 -0.52 0.00 0.00 55.73 55.58 2yro s ARG 73 Cb -0.12 -0.31 0.07 0.00 0.52 0.00 0.00 34.95 35.11 2yro s ARG 73 CO 0.08 -0.27 1.01 1.21 0.02 0.00 0.00 175.30 177.35 2yro s ASN 74 N 1.89 -0.12 0.04 0.23 2.47 -1.09 -3.08 114.94 115.29 2yro s ASN 74 Ca -0.00 -0.44 0.04 0.00 0.42 0.00 0.00 52.86 52.88 2yro s ASN 74 Cb -0.12 0.46 -0.02 0.00 -1.45 0.00 0.00 41.25 40.11 2yro s ASN 74 CO -0.05 -0.86 -0.11 -0.94 -3.72 0.00 0.00 177.10 171.42 2yro s SER 75 N -3.04 1.34 -0.51 -4.21 1.04 -1.26 -1.50 113.70 105.54 2yro s SER 75 Ca 0.14 -0.49 0.01 0.00 0.48 0.00 0.00 55.95 56.09 2yro s SER 75 Cb -0.01 -0.05 0.13 0.00 0.10 0.00 0.00 66.02 66.20 2yro s SER 75 CO 0.02 -0.06 0.28 0.12 0.98 0.00 0.00 173.24 174.58 2yro s PHE 76 N -1.05 3.41 -0.05 5.02 5.36 -1.18 -2.20 117.98 127.28 2yro s PHE 76 Ca -0.03 -2.89 0.06 0.00 -0.96 0.00 0.00 56.93 53.12 2yro s PHE 76 Cb -0.09 -3.03 -0.02 0.00 -0.34 0.00 0.00 43.02 39.55 2yro s PHE 76 CO 0.01 -0.84 -0.23 -0.51 -1.46 0.00 0.00 175.22 172.19 2yro s LEU 77 N 0.17 2.20 -1.41 6.12 1.43 -0.64 -2.92 118.68 123.63 2yro s LEU 77 Ca 0.15 -0.44 -0.10 0.00 -1.03 0.00 0.00 54.13 52.71 2yro s LEU 77 Cb -0.22 -1.40 0.04 0.00 0.03 0.00 0.00 46.19 44.63 2yro s LEU 77 CO -0.03 0.28 1.07 0.00 0.23 0.00 0.00 176.35 177.90 2yro n GLN 78 N 2.73 -6.79 -3.85 1.70 6.02 -1.26 -1.60 117.38 114.34 2yro n GLN 78 Ca -0.17 0.73 -0.29 0.00 -0.01 0.00 0.00 57.00 57.26 2yro n GLN 78 Cb 0.52 -5.69 0.04 0.00 1.02 0.00 0.00 30.24 26.12 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 -4.78 -5.98 -3.85 -1.09 1.02 -1.26 -4.97 120.64 99.72 2yro n GLU 79 Ca -0.02 0.64 -0.12 0.00 -0.02 0.00 0.00 57.16 57.64 2yro n GLU 79 Cb 0.56 -5.55 -0.12 0.00 -0.02 0.00 0.00 31.44 26.31 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 -3.36 -0.07 -0.18 1.62 0.15 -0.63 -5.15 113.70 106.08 2yro s SER 80 Ca 0.62 0.08 -0.09 0.00 0.70 0.00 0.00 55.95 57.26 2yro s SER 80 Cb -0.30 0.24 -0.05 0.00 -1.71 0.00 0.00 66.02 64.20 2yro s SER 80 CO 0.81 -0.15 0.11 0.26 1.20 0.00 0.00 173.24 175.47 2yro s TRP 81 N -0.44 3.39 0.00 3.44 0.52 -1.26 -1.62 118.94 122.97 2yro s TRP 81 Ca -0.05 0.30 0.00 0.00 0.02 0.00 0.00 56.10 56.36 2yro s TRP 81 Cb -0.03 -2.11 0.00 0.00 -1.15 0.00 0.00 33.47 30.18 2yro s TRP 81 CO 0.00 0.32 0.00 0.41 0.02 0.00 0.00 176.95 177.70 2yro n GLY 82 N 3.31 -1.32 3.02 0.98 0.00 -0.94 -5.00 105.19 105.24 2yro n GLY 82 Ca -0.17 -0.28 -0.29 0.00 0.00 0.00 0.00 46.02 45.28 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 2.22 0.31 1.61 8.01 -1.26 -4.98 118.70 124.61 2yro s GLU 83 Ca 0.00 -0.53 -0.28 0.00 0.01 0.00 0.00 54.97 54.17 2yro s GLU 83 Cb 0.00 -2.01 -0.09 0.00 -4.31 0.00 0.00 34.13 27.72 2yro s GLU 83 CO 0.00 -0.19 1.05 -1.21 0.01 0.00 0.00 175.26 174.92 2yro s GLU 84 N 1.38 4.52 -0.04 1.61 2.02 -1.26 -4.70 118.70 122.23 2yro s GLU 84 Ca 0.02 1.64 0.01 0.00 0.02 0.00 0.00 54.97 56.65 2yro s GLU 84 Cb -0.13 -2.98 0.02 0.00 0.10 0.00 0.00 34.13 31.14 2yro s GLU 84 CO -0.08 0.15 -0.03 -2.00 0.02 0.00 0.00 175.26 173.32 2yro s GLU 85 N -1.77 0.69 -0.39 1.61 2.56 -1.18 -4.99 118.70 115.24 2yro s GLU 85 Ca 0.48 -0.04 0.02 0.00 0.00 0.00 0.00 54.97 55.43 2yro s GLU 85 Cb -0.27 -0.77 0.11 0.00 2.00 0.00 0.00 34.13 35.19 2yro s GLU 85 CO 0.34 -0.12 0.13 1.03 -0.56 0.00 0.00 175.26 176.09 2yro s ARG 86 N 1.05 1.71 -0.23 4.30 0.52 -1.26 -3.91 118.95 121.13 2yro s ARG 86 Ca -0.09 -1.98 -0.04 0.00 -0.52 0.00 0.00 55.73 53.11 2yro s ARG 86 Cb -0.14 -3.34 0.12 0.00 0.52 0.00 0.00 34.95 32.12 2yro s ARG 86 CO -0.01 -1.00 0.37 1.21 0.02 0.00 0.00 175.30 175.89 2yro s ASN 87 N 0.99 0.22 0.17 0.23 2.47 -1.26 -5.03 114.94 112.71 2yro s ASN 87 Ca 0.11 0.35 -0.12 0.00 0.42 0.00 0.00 52.86 53.63 2yro s ASN 87 Cb -0.21 1.10 0.00 0.00 -1.45 0.00 0.00 41.25 40.70 2yro s ASN 87 CO -0.06 -0.29 0.35 0.27 -3.72 0.00 0.00 177.10 173.66 2yro s ILE 88 N 2.54 0.06 -0.08 -5.21 -4.36 -1.26 -5.00 121.20 107.88 2yro s ILE 88 Ca 0.09 -1.17 -0.04 0.00 -0.26 0.00 0.00 60.65 59.28 2yro s ILE 88 Cb -0.15 -1.71 -0.27 0.00 1.25 0.00 0.00 42.46 41.58 2yro s ILE 88 CO -0.15 -0.27 0.52 0.00 0.24 0.00 0.00 174.94 175.29 2yro h THR 89 N 2.45 0.77 -2.00 8.37 1.03 -2.02 -3.49 112.91 118.03 2yro h THR 89 Ca -0.31 -2.48 -0.00 0.00 -0.01 0.00 0.00 66.41 63.61 2yro h THR 89 Cb 1.24 2.57 -0.19 0.00 -1.07 0.00 0.00 68.15 70.69 2yro h THR 89 CO 0.45 0.82 0.31 -0.55 -0.01 0.00 0.00 175.52 176.55 2yro s SER 90 N -6.93 -0.55 -0.50 0.00 0.15 -1.26 -5.13 113.70 99.48 2yro s SER 90 Ca -0.17 0.51 -0.18 0.00 0.70 0.00 0.00 55.95 56.80 2yro s SER 90 Cb 0.07 0.47 0.06 0.00 -1.71 0.00 0.00 66.02 64.91 2yro s SER 90 CO 0.80 -0.57 0.58 0.12 1.20 0.00 0.00 173.24 175.37 2yro s PHE 91 N -1.57 3.09 -0.00 3.44 5.36 -1.26 -4.94 117.98 122.10 2yro s PHE 91 Ca -0.06 -0.64 -0.24 0.00 -0.96 0.00 0.00 56.93 55.03 2yro s PHE 91 Cb -0.00 -3.47 -0.19 0.00 -0.34 0.00 0.00 43.02 39.02 2yro s PHE 91 CO 0.04 -0.99 1.29 -1.00 -1.46 0.00 0.00 175.22 173.10 2yro h PRO 92 N 8.95 0.10 -6.01 10.12 0.13 -1.99 -3.45 132.00 139.85 2yro h PRO 92 Ca -0.28 -0.05 -0.72 0.00 -0.87 0.00 0.00 66.00 64.07 2yro h PRO 92 Cb 1.10 0.00 0.08 0.00 0.13 0.00 0.00 31.00 32.31 2yro h PRO 92 CO 0.95 0.56 -0.24 1.19 -0.23 0.00 0.00 178.00 180.23 2yro n PHE 93 N -4.77 0.06 -3.84 1.56 3.72 -1.26 -4.97 117.46 107.97 2yro n PHE 93 Ca -0.08 1.00 -0.12 0.00 -0.05 0.00 0.00 57.45 58.21 2yro n PHE 93 Cb 0.28 -2.03 -0.11 0.00 -0.94 0.00 0.00 39.48 36.68 2yro n PHE 93 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2yro s SER 94 N -0.53 -0.10 -0.32 4.37 0.15 -1.26 -5.03 113.70 110.98 2yro s SER 94 Ca 0.76 0.13 -0.29 0.00 0.70 0.00 0.00 55.95 57.26 2yro s SER 94 Cb -1.08 0.29 -0.01 0.00 -1.71 0.00 0.00 66.02 63.51 2yro s SER 94 CO 0.56 -0.17 1.68 -2.16 1.20 0.00 0.00 173.24 174.35 2yro s PRO 95 N -0.46 3.49 0.00 5.44 0.04 -1.26 -3.10 135.00 139.15 2yro s PRO 95 Ca -0.05 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2yro s PRO 95 Cb -0.04 -4.13 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2yro s PRO 95 CO 0.01 -1.67 0.00 0.41 0.04 0.00 0.00 177.00 175.79 2yro n GLY 96 N 5.18 0.95 3.18 0.56 0.00 -0.49 -4.49 105.19 110.09 2yro n GLY 96 Ca 0.21 -0.25 -0.11 0.00 0.00 0.00 0.00 46.02 45.87 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 -1.80 1.10 -0.37 1.61 0.23 -1.18 -4.94 119.30 113.94 2yro s MET 97 Ca 0.00 -1.56 -0.14 0.00 -1.03 0.00 0.00 55.69 52.97 2yro s MET 97 Cb 0.00 0.24 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 2yro s MET 97 CO 0.00 -0.33 0.26 -0.47 -2.03 0.00 0.00 175.02 172.45 2yro s TYR 98 N -4.10 3.23 -0.09 3.16 6.14 -1.26 -2.16 117.35 122.26 2yro s TYR 98 Ca 0.33 -0.44 0.02 0.00 0.64 0.00 0.00 57.07 57.62 2yro s TYR 98 Cb 0.07 -2.52 -0.02 0.00 0.42 0.00 0.00 41.96 39.91 2yro s TYR 98 CO 0.08 -0.49 -0.14 -0.59 0.64 0.00 0.00 175.55 175.06 2yro s PHE 99 N 1.69 2.76 -0.24 4.97 -0.12 -1.22 -4.91 117.98 120.91 2yro s PHE 99 Ca 0.05 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.52 2yro s PHE 99 Cb -0.18 -1.74 0.04 0.00 -0.63 0.00 0.00 43.02 40.50 2yro s PHE 99 CO 0.10 -0.03 -0.12 -2.00 -0.05 0.00 0.00 175.22 173.13 2yro s GLU 100 N -0.15 2.60 -0.30 1.99 2.12 -1.26 -3.66 118.70 120.04 2yro s GLU 100 Ca -0.01 -1.11 -0.14 0.00 0.36 0.00 0.00 54.97 54.07 2yro s GLU 100 Cb -0.13 -2.84 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 2yro s GLU 100 CO 0.03 -0.43 0.31 1.41 -0.54 0.00 0.00 175.26 176.04 2yro s MET 101 N 1.22 3.84 -0.30 4.30 -2.45 -1.11 -1.72 119.30 123.08 2yro s MET 101 Ca -0.03 -0.22 -0.07 0.00 -1.25 0.00 0.00 55.69 54.12 2yro s MET 101 Cb -0.17 -3.71 0.01 0.00 1.25 0.00 0.00 34.83 32.21 2yro s MET 101 CO -0.07 -0.33 0.09 0.42 1.05 0.00 0.00 175.02 176.18 2yro s ILE 102 N 1.96 4.04 -0.41 10.11 1.09 -0.51 -0.42 121.20 137.05 2yro s ILE 102 Ca 0.11 -0.66 -0.13 0.00 -1.10 0.00 0.00 60.65 58.87 2yro s ILE 102 Cb -0.16 -3.08 0.04 0.00 -1.06 0.00 0.00 42.46 38.20 2yro s ILE 102 CO 0.11 0.08 0.29 -0.63 -0.10 0.00 0.00 174.94 174.68 2yro s ILE 103 N 1.51 4.90 -0.07 2.92 1.01 0.96 -2.50 121.20 129.94 2yro s ILE 103 Ca 0.03 -0.91 -0.00 0.00 0.00 0.00 0.00 60.65 59.77 2yro s ILE 103 Cb -0.17 -3.81 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 2yro s ILE 103 CO 0.03 -0.37 -0.03 -0.47 0.00 0.00 0.00 174.94 174.10 2yro s TYR 104 N 1.60 3.05 -0.36 3.97 5.04 -1.22 -1.09 117.35 128.35 2yro s TYR 104 Ca 0.03 0.11 -0.04 0.00 -2.44 0.00 0.00 57.07 54.73 2yro s TYR 104 Cb -0.21 -1.74 0.07 0.00 0.35 0.00 0.00 41.96 40.43 2yro s TYR 104 CO 0.07 0.41 0.12 0.00 -1.34 0.00 0.00 175.55 174.81 2yro n ASP 106 N 4.71 4.62 -1.90 0.00 -0.08 -1.25 -0.55 116.55 122.10 2yro n ASP 106 Ca -0.10 -3.05 -0.12 0.00 -1.51 0.00 0.00 54.79 50.01 2yro n ASP 106 Cb 0.43 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 43.15 2yro n ASP 106 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2yro n VAL 107 N -0.02 -0.29 0.00 5.18 0.31 -1.26 -4.61 118.33 117.64 2yro n VAL 107 Ca 0.35 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.68 2yro n VAL 107 Cb 1.26 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.76 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 -2.30 0.64 -3.65 5.55 5.12 -1.26 -5.13 116.66 115.63 2yro n ARG 108 Ca -0.13 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.76 2yro n ARG 108 Cb 0.50 -0.63 -0.01 0.00 -1.16 0.00 0.00 32.46 31.16 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 0.79 -0.43 5.56 -1.05 -1.26 -4.32 118.70 116.74 2yro s GLU 109 Ca 0.00 -0.40 -0.19 0.00 -0.15 0.00 0.00 54.97 54.23 2yro s GLU 109 Cb 0.00 0.29 0.02 0.00 -0.44 0.00 0.00 34.13 34.00 2yro s GLU 109 CO 0.00 -0.36 0.52 -0.06 0.95 0.00 0.00 175.26 176.32 2yro s PHE 110 N -2.89 3.13 0.14 4.83 0.08 0.38 -3.97 117.98 119.68 2yro s PHE 110 Ca 0.11 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.90 2yro s PHE 110 Cb 0.01 -3.08 -0.05 0.00 -0.57 0.00 0.00 43.02 39.33 2yro s PHE 110 CO -0.02 -0.77 0.34 0.15 -0.10 0.00 0.00 175.22 174.82 2yro s LYS 111 N 2.42 3.55 -0.23 0.44 1.02 -1.19 -1.23 119.74 124.52 2yro s LYS 111 Ca 0.16 -0.24 -0.03 0.00 0.02 0.00 0.00 55.97 55.88 2yro s LYS 111 Cb -0.16 -2.89 0.12 0.00 -0.52 0.00 0.00 37.83 34.38 2yro s LYS 111 CO 0.16 0.49 0.33 0.54 -0.92 0.00 0.00 175.35 175.95 2yro s VAL 112 N -1.68 -0.52 0.11 3.17 0.11 -1.24 -3.37 120.40 116.96 2yro s VAL 112 Ca 0.39 -0.06 0.06 0.00 -2.93 0.00 0.00 61.98 59.44 2yro s VAL 112 Cb -0.12 -0.76 -0.04 0.00 -1.53 0.00 0.00 36.38 33.93 2yro s VAL 112 CO 0.27 -0.13 -0.02 0.00 -3.33 0.00 0.00 175.10 171.89 2yro s ALA 113 N 2.49 3.22 -0.09 1.54 0.00 -1.04 -3.51 121.76 124.37 2yro s ALA 113 Ca 0.10 -1.18 0.02 0.00 0.00 0.00 0.00 51.96 50.91 2yro s ALA 113 Cb -0.15 -1.11 0.01 0.00 0.00 0.00 0.00 23.12 21.87 2yro s ALA 113 CO -0.14 0.66 -0.15 0.08 0.00 0.00 0.00 175.76 176.20 2yro s VAL 114 N -1.36 1.44 -1.45 0.00 1.01 -0.72 -1.43 120.40 117.90 2yro s VAL 114 Ca 0.25 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 2yro s VAL 114 Cb -0.11 -1.30 0.03 0.00 0.00 0.00 0.00 36.38 35.00 2yro s VAL 114 CO 0.18 0.43 0.95 0.59 0.00 0.00 0.00 175.10 177.24 2yro n ASN 115 N 3.94 -5.75 -2.65 3.32 3.02 -0.70 -1.95 115.26 114.49 2yro n ASN 115 Ca -0.20 -0.53 -0.16 0.00 -0.03 0.00 0.00 54.58 53.65 2yro n ASN 115 Cb 0.52 -4.58 0.06 0.00 -0.61 0.00 0.00 39.78 35.17 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 -1.76 -0.09 3.00 7.41 0.00 -1.26 -5.01 105.19 107.48 2yro n GLY 116 Ca -0.01 -0.03 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.23 -0.75 -0.31 1.61 1.01 -0.82 -5.09 120.40 112.82 2yro s VAL 117 Ca 0.36 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.98 2yro s VAL 117 Cb -0.16 -0.89 -0.08 0.00 0.00 0.00 0.00 36.38 35.25 2yro s VAL 117 CO 0.51 -0.08 2.24 1.57 0.00 0.00 0.00 175.10 179.34 2yro n HIS 118 N 5.39 1.75 -0.04 5.22 -0.00 -1.26 -1.76 115.22 124.52 2yro n HIS 118 Ca -0.02 0.05 -0.01 0.00 0.46 0.00 0.00 57.72 58.20 2yro n HIS 118 Cb 0.50 -2.65 -0.00 0.00 -0.12 0.00 0.00 29.99 27.73 2yro n HIS 118 CO 0.00 0.00 0.00 0.77 0.46 0.00 0.00 176.34 177.57 2yro h SER 119 N 14.60 0.00 -5.14 0.26 0.02 -1.90 -3.48 113.55 117.91 2yro h SER 119 Ca -0.34 0.00 -0.12 0.00 -0.84 0.00 0.00 61.79 60.49 2yro h SER 119 Cb 1.27 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.65 2yro h SER 119 CO 1.01 0.40 -0.55 -1.48 -1.14 0.00 0.00 176.83 175.07 2yro s LEU 120 N -7.39 1.97 0.36 5.07 -0.00 -1.25 -4.88 118.68 112.55 2yro s LEU 120 Ca -0.02 -0.70 0.08 0.00 -0.00 0.00 0.00 54.13 53.50 2yro s LEU 120 Cb 0.00 0.53 -0.04 0.00 -0.00 0.00 0.00 46.19 46.68 2yro s LEU 120 CO 0.02 -0.57 0.17 -1.61 -0.00 0.00 0.00 176.35 174.37 2yro s GLU 121 N -3.19 2.38 -0.12 1.48 2.02 -1.26 -3.73 118.70 116.28 2yro s GLU 121 Ca 0.00 -1.58 -0.14 0.00 0.02 0.00 0.00 54.97 53.27 2yro s GLU 121 Cb 0.02 -2.17 0.04 0.00 0.10 0.00 0.00 34.13 32.12 2yro s GLU 121 CO -0.07 0.05 0.38 -0.47 0.02 0.00 0.00 175.26 175.17 2yro s TYR 122 N -2.45 -0.39 0.35 1.61 5.04 -0.37 -5.02 117.35 116.11 2yro s TYR 122 Ca 0.39 0.93 -0.25 0.00 -2.44 0.00 0.00 57.07 55.70 2yro s TYR 122 Cb -0.02 0.14 -0.10 0.00 0.35 0.00 0.00 41.96 42.34 2yro s TYR 122 CO 0.23 -0.24 0.98 0.15 -1.34 0.00 0.00 175.55 175.33 2yro s LYS 123 N -0.06 4.46 -0.29 4.97 1.02 -1.26 0.15 119.74 128.73 2yro s LYS 123 Ca -0.02 1.39 -0.28 0.00 0.02 0.00 0.00 55.97 57.08 2yro s LYS 123 Cb -0.03 -2.72 -0.06 0.00 -0.52 0.00 0.00 37.83 34.50 2yro s LYS 123 CO 0.01 0.15 2.27 0.72 -0.92 0.00 0.00 175.35 177.58 2yro n HIS 124 N 0.37 1.82 -0.07 3.18 8.25 -1.26 -4.51 115.22 123.01 2yro n HIS 124 Ca 0.03 -0.05 -0.10 0.00 -0.26 0.00 0.00 57.72 57.34 2yro n HIS 124 Cb 0.50 -2.70 -0.08 0.00 1.12 0.00 0.00 29.99 28.83 2yro n HIS 124 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2yro h ARG 125 N 15.88 0.00 -6.71 -0.41 2.47 -1.92 -3.43 114.38 120.25 2yro h ARG 125 Ca -0.36 0.00 -0.56 0.00 -1.26 0.00 0.00 59.98 57.79 2yro h ARG 125 Cb 1.25 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 29.50 2yro h ARG 125 CO 1.01 0.65 0.92 0.12 0.56 0.00 0.00 179.97 183.23 2yro s PHE 126 N -2.03 2.81 0.20 3.04 5.36 -1.26 -4.91 117.98 121.19 2yro s PHE 126 Ca -0.14 0.70 -0.11 0.00 -0.96 0.00 0.00 56.93 56.42 2yro s PHE 126 Cb -0.01 -4.44 0.23 0.00 -0.34 0.00 0.00 43.02 38.46 2yro s PHE 126 CO 0.45 -1.28 1.73 0.87 -1.46 0.00 0.00 175.22 175.54 2yro h LYS 127 N 9.24 0.32 -6.23 10.12 1.57 -1.99 -3.36 116.57 126.24 2yro h LYS 127 Ca -0.23 -0.02 -0.53 0.00 -1.87 0.00 0.00 60.65 58.00 2yro h LYS 127 Cb 1.06 -0.07 -0.06 0.00 0.08 0.00 0.00 32.23 33.24 2yro h LYS 127 CO 1.13 0.21 1.18 -2.00 -0.57 0.00 0.00 179.45 179.40 2yro s GLU 128 N -6.12 3.02 0.03 3.15 2.56 -1.26 -4.82 118.70 115.27 2yro s GLU 128 Ca -0.13 0.29 0.05 0.00 0.00 0.00 0.00 54.97 55.18 2yro s GLU 128 Cb 0.16 -4.24 -0.24 0.00 2.00 0.00 0.00 34.13 31.81 2yro s GLU 128 CO 0.74 -2.30 0.96 -0.07 -0.56 0.00 0.00 175.26 174.03 2yro h LEU 129 N 14.29 0.14 -2.11 2.70 3.38 -1.90 -3.30 115.31 128.51 2yro h LEU 129 Ca -0.27 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.44 2yro h LEU 129 Cb 1.10 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.77 2yro h LEU 129 CO 1.22 1.16 0.09 -1.20 0.09 0.00 0.00 178.44 179.80 2yro n SER 130 N -3.30 2.74 -0.04 -0.43 7.64 -1.24 -3.50 113.62 115.49 2yro n SER 130 Ca -0.10 -2.30 -0.05 0.00 1.01 0.00 0.00 58.87 57.42 2yro n SER 130 Cb 1.01 -0.56 -0.06 0.00 -1.01 0.00 0.00 64.21 63.59 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yro n SER 131 N 0.14 3.09 -4.63 6.43 2.88 -1.24 -4.81 113.62 115.46 2yro n SER 131 Ca 0.11 -0.02 -0.45 0.00 -1.33 0.00 0.00 58.87 57.18 2yro n SER 131 Cb 0.65 0.35 -0.04 0.00 -0.75 0.00 0.00 64.21 64.42 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 -2.50 0.56 0.00 2.46 5.41 -1.23 -4.32 119.36 119.74 2yro n ILE 132 Ca -0.15 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.37 2yro n ILE 132 Cb 0.73 -2.22 0.00 0.00 -0.71 0.00 0.00 39.64 37.45 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 8.63 1.14 -4.69 4.38 5.75 -1.25 -0.06 116.55 130.45 2yro n ASP 133 Ca 0.25 0.00 -0.39 0.00 -0.01 0.00 0.00 54.79 54.64 2yro n ASP 133 Cb 0.37 0.03 -0.06 0.00 -1.03 0.00 0.00 41.12 40.44 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 -1.27 5.07 -0.35 2.12 2.01 -1.20 -0.49 115.64 121.53 2yro s THR 134 Ca 0.00 1.20 -0.01 0.00 0.31 0.00 0.00 61.69 63.19 2yro s THR 134 Cb 0.00 -3.94 0.09 0.00 0.01 0.00 0.00 72.50 68.66 2yro s THR 134 CO 0.00 0.20 0.09 -0.22 -0.69 0.00 0.00 174.62 174.00 2yro s LEU 135 N 1.31 4.64 -0.15 4.42 2.96 -0.05 -3.09 118.68 128.72 2yro s LEU 135 Ca 0.30 -1.79 -0.08 0.00 -0.22 0.00 0.00 54.13 52.34 2yro s LEU 135 Cb -0.16 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2yro s LEU 135 CO 0.12 -0.40 0.13 -1.61 -1.32 0.00 0.00 176.35 173.27 2yro s GLU 136 N 1.12 3.74 -0.04 1.98 2.02 -0.54 -3.11 118.70 123.87 2yro s GLU 136 Ca 0.04 -0.19 -0.01 0.00 0.02 0.00 0.00 54.97 54.82 2yro s GLU 136 Cb -0.21 -3.26 0.03 0.00 0.10 0.00 0.00 34.13 30.79 2yro s GLU 136 CO -0.04 0.56 0.09 0.42 0.02 0.00 0.00 175.26 176.31 2yro s ILE 137 N -0.40 -0.06 0.23 -1.63 1.01 0.14 -0.48 121.20 120.02 2yro s ILE 137 Ca 0.11 0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.97 2yro s ILE 137 Cb -0.12 -0.16 -0.04 0.00 0.01 0.00 0.00 42.46 42.15 2yro s ILE 137 CO 0.01 0.08 0.12 0.20 0.00 0.00 0.00 174.94 175.36 2yro s ASN 138 N 1.15 0.69 0.00 3.58 -0.87 -0.57 -0.16 114.94 118.75 2yro s ASN 138 Ca -0.09 -1.41 0.00 0.00 -1.57 0.00 0.00 52.86 49.79 2yro s ASN 138 Cb -0.12 0.30 0.00 0.00 -0.02 0.00 0.00 41.25 41.41 2yro s ASN 138 CO -0.05 -0.81 0.00 0.61 -2.57 0.00 0.00 177.10 174.29 2yro n GLY 139 N -0.38 0.98 2.43 0.66 0.00 -1.26 -0.76 105.19 106.86 2yro n GLY 139 Ca 0.01 -1.89 -0.32 0.00 0.00 0.00 0.00 46.02 43.82 2yro n GLY 139 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2yro n ASP 140 N 1.78 6.51 -4.41 1.61 9.92 -1.02 -4.97 116.55 125.97 2yro n ASP 140 Ca 0.00 -3.78 -0.21 0.00 -0.53 0.00 0.00 54.79 50.26 2yro n ASP 140 Cb 0.00 -0.76 -0.10 0.00 -0.64 0.00 0.00 41.12 39.62 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 0.13 0.00 0.00 177.20 177.60 2yro s ILE 141 N -4.96 2.13 -0.42 0.53 -5.25 -1.26 -4.05 121.20 107.93 2yro s ILE 141 Ca 0.56 -2.32 -0.15 0.00 -0.99 0.00 0.00 60.65 57.75 2yro s ILE 141 Cb 0.45 -2.19 0.03 0.00 2.95 0.00 0.00 42.46 43.71 2yro s ILE 141 CO -0.13 -0.49 0.31 -2.28 -1.79 0.00 0.00 174.94 170.56 2yro s HIS 142 N -2.73 3.24 0.50 1.37 5.65 0.34 -4.84 115.29 118.83 2yro s HIS 142 Ca 0.27 -0.73 -0.19 0.00 0.25 0.00 0.00 55.06 54.66 2yro s HIS 142 Cb -0.03 -2.71 -0.08 0.00 -1.18 0.00 0.00 32.58 28.58 2yro s HIS 142 CO 0.11 -0.65 1.00 -1.17 -0.65 0.00 0.00 174.74 173.39 2yro s LEU 143 N 1.65 3.74 0.04 8.88 2.96 -1.26 -1.18 118.68 133.52 2yro s LEU 143 Ca 0.04 1.74 -0.02 0.00 -0.22 0.00 0.00 54.13 55.67 2yro s LEU 143 Cb -0.20 -4.53 -0.01 0.00 0.50 0.00 0.00 46.19 41.94 2yro s LEU 143 CO 0.09 -0.68 -0.05 0.18 -1.32 0.00 0.00 176.35 174.57 2yro n LEU 144 N -1.25 1.00 -3.62 -0.68 4.77 -0.98 -2.48 117.00 113.76 2yro n LEU 144 Ca 0.08 0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.14 2yro n LEU 144 Cb 0.53 -0.33 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2yro n LEU 144 CO 0.42 -0.51 1.01 -0.70 -1.33 0.00 0.00 177.39 176.28 2yro s GLU 145 N -2.11 0.26 -0.19 3.23 2.12 -1.12 -2.63 118.70 118.26 2yro s GLU 145 Ca -0.04 0.12 -0.04 0.00 0.36 0.00 0.00 54.97 55.37 2yro s GLU 145 Cb 0.01 0.12 -0.02 0.00 0.26 0.00 0.00 34.13 34.50 2yro s GLU 145 CO 0.06 -0.07 -0.04 0.08 -0.54 0.00 0.00 175.26 174.75 2yro s VAL 146 N -0.75 3.57 0.15 3.70 1.01 -1.26 -2.64 120.40 124.18 2yro s VAL 146 Ca 0.05 -0.45 0.06 0.00 0.00 0.00 0.00 61.98 61.65 2yro s VAL 146 Cb -0.02 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.73 2yro s VAL 146 CO -0.06 0.45 0.03 -0.60 0.00 0.00 0.00 175.10 174.92 2yro s ARG 147 N 0.99 2.54 -0.18 2.72 3.52 -1.14 -5.00 118.95 122.40 2yro s ARG 147 Ca 0.00 -1.00 -0.07 0.00 -0.13 0.00 0.00 55.73 54.54 2yro s ARG 147 Cb -0.15 -2.46 0.08 0.00 -1.56 0.00 0.00 34.95 30.86 2yro s ARG 147 CO 0.01 0.48 0.39 -1.12 -0.81 0.00 0.00 175.30 174.24 2yro s SER 148 N -2.84 -0.18 0.21 -2.12 0.01 -1.26 -1.33 113.70 106.19 2yro s SER 148 Ca 0.28 0.90 0.07 0.00 1.31 0.00 0.00 55.95 58.51 2yro s SER 148 Cb -0.10 1.14 -0.05 0.00 0.21 0.00 0.00 66.02 67.22 2yro s SER 148 CO 0.20 -0.23 -0.12 -1.66 0.41 0.00 0.00 173.24 171.84 2yro s TRP 149 N 2.39 1.68 0.02 2.43 -2.14 -0.99 -4.97 118.94 117.36 2yro s TRP 149 Ca -0.02 -0.63 0.03 0.00 2.66 0.00 0.00 56.10 58.14 2yro s TRP 149 Cb -0.11 -0.82 -0.01 0.00 -3.10 0.00 0.00 33.47 29.42 2yro s TRP 149 CO -0.12 0.30 -0.10 -1.54 -2.66 0.00 0.00 176.95 172.83 2yro s SER 150 N -3.31 1.12 -0.30 -2.66 1.04 -1.26 -1.49 113.70 106.83 2yro s SER 150 Ca 0.23 -0.33 -0.03 0.00 0.48 0.00 0.00 55.95 56.30 2yro s SER 150 Cb 0.01 -0.07 0.11 0.00 0.10 0.00 0.00 66.02 66.16 2yro s SER 150 CO 0.07 0.01 0.14 -0.83 0.98 0.00 0.00 173.24 173.61 2yro s GLY 151 N -0.78 0.63 0.90 7.32 0.00 -1.25 -5.07 107.32 109.07 2yro s GLY 151 Ca -0.00 -1.30 -0.12 0.00 0.00 0.00 0.00 44.72 43.30 2yro s GLY 151 CO 0.00 2.02 1.09 2.56 0.00 0.00 0.00 173.10 178.77 2yro s PRO 152 N 1.85 1.20 -0.61 2.90 0.04 -1.26 -4.81 135.00 134.31 2yro s PRO 152 Ca 0.11 0.79 -0.38 0.00 0.04 0.00 0.00 61.00 61.56 2yro s PRO 152 Cb -0.17 -1.80 -0.18 0.00 0.04 0.00 0.00 34.50 32.38 2yro s PRO 152 CO -0.29 -2.27 2.31 0.45 0.04 0.00 0.00 177.00 177.24 2yro n SER 153 N -3.90 0.91 -4.58 6.66 2.88 -1.26 -4.73 113.62 109.61 2yro n SER 153 Ca 0.07 0.45 -0.25 0.00 -1.33 0.00 0.00 58.87 57.81 2yro n SER 153 Cb 0.55 -0.99 -0.07 0.00 -0.75 0.00 0.00 64.21 62.95 2yro n SER 153 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2yro s SER 154 N 7.30 4.60 0.00 -3.46 1.04 -1.26 -5.36 113.70 116.57 2yro s SER 154 Ca 1.22 -1.47 0.00 0.00 0.48 0.00 0.00 55.95 56.18 2yro s SER 154 Cb -1.27 -2.59 0.00 0.00 0.10 0.00 0.00 66.02 62.25 2yro s SER 154 CO 0.57 -3.52 0.41 0.61 0.98 0.00 0.00 173.24 172.28