#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 0.47 0.36 1.61 0.15 -1.26 -5.18 113.70 109.84 2yro s SER 2 Ca 0.00 -1.28 0.09 0.00 0.70 0.00 0.00 55.95 55.46 2yro s SER 2 Cb 0.00 0.62 -0.06 0.00 -1.71 0.00 0.00 66.02 64.87 2yro s SER 2 CO 0.00 -1.21 0.04 -0.55 1.20 0.00 0.00 173.24 172.72 2yro s SER 3 N -3.15 4.21 -0.33 5.45 0.15 -1.26 -5.12 113.70 113.66 2yro s SER 3 Ca 0.28 -1.03 -0.08 0.00 0.70 0.00 0.00 55.95 55.82 2yro s SER 3 Cb 0.00 -0.52 0.19 0.00 -1.71 0.00 0.00 66.02 63.98 2yro s SER 3 CO 0.15 -0.31 1.01 -0.83 1.20 0.00 0.00 173.24 174.46 2yro s GLY 4 N -3.75 -1.43 -0.03 9.45 0.00 -1.26 -5.15 107.32 105.15 2yro s GLY 4 Ca 0.36 1.31 0.01 0.00 0.00 0.00 0.00 44.72 46.40 2yro s GLY 4 CO 0.20 4.22 -0.02 -0.45 0.00 0.00 0.00 173.10 177.04 2yro s SER 5 N 2.12 0.62 -0.13 1.64 0.15 -1.26 -5.06 113.70 111.78 2yro s SER 5 Ca 0.17 -0.07 -0.08 0.00 0.70 0.00 0.00 55.95 56.67 2yro s SER 5 Cb 0.02 -0.31 -0.05 0.00 -1.71 0.00 0.00 66.02 63.97 2yro s SER 5 CO -0.16 -0.07 0.02 0.28 1.20 0.00 0.00 173.24 174.52 2yro h SER 6 N 7.14 0.00 -2.66 5.45 0.02 -1.99 -3.51 113.55 118.01 2yro h SER 6 Ca -0.40 -0.13 0.00 0.00 -0.84 0.00 0.00 61.79 60.41 2yro h SER 6 Cb 1.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.68 2yro h SER 6 CO 0.48 0.72 0.00 0.61 -1.14 0.00 0.00 176.83 177.50 2yro n GLY 7 N 1.68 -1.48 1.32 -3.77 0.00 -1.26 -5.08 105.19 96.59 2yro n GLY 7 Ca -0.06 -0.24 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 2yro n GLY 7 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2yro n PRO 8 N -0.23 -1.84 -3.80 1.61 -0.04 -1.26 -5.09 135.00 124.35 2yro n PRO 8 Ca 0.00 -0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 62.68 2yro n PRO 8 Cb 0.00 -0.62 -0.12 0.00 -0.04 0.00 0.00 33.50 32.72 2yro n PRO 8 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2yro s LYS 9 N -3.93 0.22 0.34 0.54 1.02 -1.26 -5.14 119.74 111.53 2yro s LYS 9 Ca 0.27 0.29 -0.17 0.00 0.02 0.00 0.00 55.97 56.38 2yro s LYS 9 Cb -0.03 0.08 0.04 0.00 -0.52 0.00 0.00 37.83 37.40 2yro s LYS 9 CO 0.20 -0.04 0.72 0.45 -0.92 0.00 0.00 175.35 175.77 2yro s SER 10 N 0.22 -0.04 -0.14 2.83 0.15 -1.26 -5.16 113.70 110.31 2yro s SER 10 Ca -0.01 -0.96 0.02 0.00 0.70 0.00 0.00 55.95 55.70 2yro s SER 10 Cb -0.02 0.78 0.01 0.00 -1.71 0.00 0.00 66.02 65.07 2yro s SER 10 CO -0.01 -1.51 -0.21 -0.83 1.20 0.00 0.00 173.24 171.89 2yro s GLY 11 N -3.02 1.38 0.03 9.45 0.00 -1.26 -5.11 107.32 108.78 2yro s GLY 11 Ca 0.15 -1.06 -0.20 0.00 0.00 0.00 0.00 44.72 43.61 2yro s GLY 11 CO 0.10 -0.07 0.46 -0.51 0.00 0.00 0.00 173.10 173.08 2yro s THR 12 N 0.73 0.04 -0.82 0.90 -4.23 -1.26 -5.10 115.64 105.90 2yro s THR 12 Ca -0.09 -0.35 -0.25 0.00 -1.18 0.00 0.00 61.69 59.82 2yro s THR 12 Cb -0.16 -0.92 -0.04 0.00 1.34 0.00 0.00 72.50 72.72 2yro s THR 12 CO 0.00 -0.19 1.92 -2.16 -0.54 0.00 0.00 174.62 173.65 2yro s PRO 13 N -2.18 2.58 0.88 3.99 0.04 -1.26 -4.95 135.00 134.09 2yro s PRO 13 Ca -0.07 -0.03 -0.17 0.00 0.04 0.00 0.00 61.00 60.77 2yro s PRO 13 Cb -0.01 -4.87 -0.13 0.00 0.04 0.00 0.00 34.50 29.53 2yro s PRO 13 CO 0.00 -3.19 -0.51 1.04 0.04 0.00 0.00 177.00 174.38 2yro n GLN 14 N 8.95 -0.01 -4.70 4.56 3.00 -1.22 -4.64 117.38 123.33 2yro n GLN 14 Ca 0.34 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 57.03 2yro n GLN 14 Cb 0.48 -1.11 -0.08 0.00 0.00 0.00 0.00 30.24 29.54 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 6.28 2.29 0.06 1.08 1.43 -0.63 -4.94 118.68 124.26 2yro s LEU 15 Ca 0.46 -1.63 0.05 0.00 -1.03 0.00 0.00 54.13 51.99 2yro s LEU 15 Cb -0.26 -0.64 -0.03 0.00 0.03 0.00 0.00 46.19 45.30 2yro s LEU 15 CO 0.77 -0.83 -0.15 -0.94 0.23 0.00 0.00 176.35 175.43 2yro s SER 16 N -3.81 1.79 0.11 2.29 1.04 -1.26 -4.41 113.70 109.45 2yro s SER 16 Ca 0.12 -0.57 0.03 0.00 0.48 0.00 0.00 55.95 56.00 2yro s SER 16 Cb 0.03 -0.08 -0.04 0.00 0.10 0.00 0.00 66.02 66.03 2yro s SER 16 CO 0.06 -0.02 0.15 -0.76 0.98 0.00 0.00 173.24 173.65 2yro s LEU 17 N -1.56 3.98 0.13 2.42 1.43 -1.26 -3.02 118.68 120.81 2yro s LEU 17 Ca 0.00 0.04 -0.31 0.00 -1.03 0.00 0.00 54.13 52.83 2yro s LEU 17 Cb -0.09 -2.62 -0.08 0.00 0.03 0.00 0.00 46.19 43.43 2yro s LEU 17 CO 0.02 0.13 1.35 -2.16 0.23 0.00 0.00 176.35 175.92 2yro s PRO 18 N -2.70 4.35 -0.62 1.29 0.04 -1.26 -5.07 135.00 131.02 2yro s PRO 18 Ca 0.31 2.04 -0.23 0.00 0.04 0.00 0.00 61.00 63.16 2yro s PRO 18 Cb -0.12 -3.24 0.06 0.00 0.04 0.00 0.00 34.50 31.24 2yro s PRO 18 CO 0.24 -0.37 0.94 0.12 0.04 0.00 0.00 177.00 177.98 2yro s PHE 19 N 0.85 2.72 -0.33 0.56 5.36 0.20 -4.94 117.98 122.40 2yro s PHE 19 Ca 0.62 -0.40 0.01 0.00 -0.96 0.00 0.00 56.93 56.20 2yro s PHE 19 Cb -0.36 -4.19 0.08 0.00 -0.34 0.00 0.00 43.02 38.21 2yro s PHE 19 CO 0.32 -1.54 0.03 0.00 -1.46 0.00 0.00 175.22 172.57 2yro s ALA 20 N 3.98 2.86 0.10 11.12 0.00 -1.26 -0.74 121.76 137.81 2yro s ALA 20 Ca 0.24 -2.19 0.02 0.00 0.00 0.00 0.00 51.96 50.03 2yro s ALA 20 Cb -0.16 -1.97 -0.04 0.00 0.00 0.00 0.00 23.12 20.96 2yro s ALA 20 CO 0.13 -1.51 -0.07 0.00 0.00 0.00 0.00 175.76 174.31 2yro s ALA 21 N 1.07 0.97 -0.04 0.00 0.00 -0.82 -5.01 121.76 117.94 2yro s ALA 21 Ca 0.02 -1.31 0.05 0.00 0.00 0.00 0.00 51.96 50.73 2yro s ALA 21 Cb -0.20 0.14 -0.02 0.00 0.00 0.00 0.00 23.12 23.04 2yro s ALA 21 CO -0.05 -0.21 -0.19 -0.98 0.00 0.00 0.00 175.76 174.33 2yro s ARG 22 N -3.63 2.35 -0.12 0.00 3.03 -1.26 -0.55 118.95 118.76 2yro s ARG 22 Ca 0.10 -0.79 -0.29 0.00 2.03 0.00 0.00 55.73 56.78 2yro s ARG 22 Cb 0.04 -2.25 -0.01 0.00 -1.03 0.00 0.00 34.95 31.70 2yro s ARG 22 CO -0.04 0.60 1.05 -0.51 -1.13 0.00 0.00 175.30 175.26 2yro s LEU 23 N -0.69 4.22 0.30 -1.89 1.43 -1.21 -4.90 118.68 115.94 2yro s LEU 23 Ca 0.11 1.55 0.18 0.00 -1.03 0.00 0.00 54.13 54.94 2yro s LEU 23 Cb -0.10 -3.55 1.06 0.00 0.03 0.00 0.00 46.19 43.62 2yro s LEU 23 CO -0.00 -0.51 1.21 -3.20 0.23 0.00 0.00 176.35 174.08 2yro n ASN 24 N 5.30 0.25 -4.34 2.29 2.85 -1.26 -4.29 115.26 116.06 2yro n ASN 24 Ca 0.10 1.24 -0.23 0.00 -0.11 0.00 0.00 54.58 55.57 2yro n ASN 24 Cb 0.48 -0.60 -0.11 0.00 1.24 0.00 0.00 39.78 40.78 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2yro s THR 25 N -5.11 1.90 0.07 -0.44 -4.23 -1.26 -5.11 115.64 101.46 2yro s THR 25 Ca -0.07 -1.89 -0.31 0.00 -1.18 0.00 0.00 61.69 58.24 2yro s THR 25 Cb 0.26 -1.86 -0.07 0.00 1.34 0.00 0.00 72.50 72.17 2yro s THR 25 CO 0.61 -0.25 1.39 -2.16 -0.54 0.00 0.00 174.62 173.67 2yro s PRO 26 N -2.67 4.31 0.75 3.99 0.04 -1.26 -4.89 135.00 135.27 2yro s PRO 26 Ca 0.15 2.03 -0.12 0.00 0.04 0.00 0.00 61.00 63.11 2yro s PRO 26 Cb -0.07 -3.37 0.17 0.00 0.04 0.00 0.00 34.50 31.27 2yro s PRO 26 CO 0.07 -0.48 1.02 0.00 0.04 0.00 0.00 177.00 177.65 2yro n MET 27 N 4.46 -0.92 0.00 4.56 0.00 -0.71 -4.97 117.12 119.54 2yro n MET 27 Ca 0.12 -1.67 0.00 0.00 0.00 0.00 0.00 57.70 56.15 2yro n MET 27 Cb 0.43 -1.02 0.00 0.00 0.00 0.00 0.00 33.22 32.63 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 -1.76 -0.56 3.77 3.17 0.00 -1.23 -3.74 105.19 104.84 2yro n GLY 28 Ca 0.13 -0.47 -0.38 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 -1.71 3.96 0.00 1.61 0.04 -1.26 -2.97 135.00 134.66 2yro s PRO 29 Ca 0.00 1.85 0.00 0.00 0.04 0.00 0.00 61.00 62.89 2yro s PRO 29 Cb 0.00 -2.61 0.00 0.00 0.04 0.00 0.00 34.50 31.93 2yro s PRO 29 CO 0.00 -0.41 0.00 0.41 0.04 0.00 0.00 177.00 177.04 2yro n GLY 30 N 0.58 3.02 3.88 0.56 0.00 0.68 -4.97 105.19 108.93 2yro n GLY 30 Ca 0.05 0.00 -0.30 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 -0.06 3.76 -0.05 1.61 1.81 -1.16 -3.75 118.95 121.10 2yro s ARG 31 Ca 0.00 0.49 0.01 0.00 -1.72 0.00 0.00 55.73 54.51 2yro s ARG 31 Cb 0.00 -2.36 0.02 0.00 -0.45 0.00 0.00 34.95 32.17 2yro s ARG 31 CO 0.00 -0.09 -0.04 0.99 -0.68 0.00 0.00 175.30 175.47 2yro s THR 32 N -2.46 0.57 -0.34 0.02 2.01 -0.96 -3.01 115.64 111.47 2yro s THR 32 Ca 0.52 -0.11 -0.08 0.00 0.31 0.00 0.00 61.69 62.33 2yro s THR 32 Cb -0.10 -0.61 0.03 0.00 0.01 0.00 0.00 72.50 71.83 2yro s THR 32 CO 0.34 0.25 0.13 -0.69 -0.69 0.00 0.00 174.62 173.95 2yro s VAL 33 N 1.15 4.02 -0.14 3.82 1.01 -0.74 -2.88 120.40 126.64 2yro s VAL 33 Ca -0.07 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.81 2yro s VAL 33 Cb -0.14 -3.24 -0.05 0.00 0.00 0.00 0.00 36.38 32.96 2yro s VAL 33 CO -0.01 -0.16 0.20 0.68 0.00 0.00 0.00 175.10 175.81 2yro s VAL 34 N 1.46 5.39 -0.33 2.92 -7.23 -0.35 -0.75 120.40 121.51 2yro s VAL 34 Ca -0.00 0.34 0.03 0.00 -1.81 0.00 0.00 61.98 60.54 2yro s VAL 34 Cb -0.19 -3.50 0.09 0.00 0.56 0.00 0.00 36.38 33.34 2yro s VAL 34 CO 0.04 0.52 0.03 -0.69 -0.31 0.00 0.00 175.10 174.69 2yro s VAL 35 N -0.37 2.32 -0.34 1.32 1.01 0.12 -2.23 120.40 122.23 2yro s VAL 35 Ca 0.14 -2.18 -0.18 0.00 0.00 0.00 0.00 61.98 59.77 2yro s VAL 35 Cb -0.12 -2.64 -0.01 0.00 0.00 0.00 0.00 36.38 33.61 2yro s VAL 35 CO 0.03 -0.49 0.49 -0.54 0.00 0.00 0.00 175.10 174.59 2yro s LYS 36 N 0.96 3.66 0.00 2.72 1.02 -0.96 -2.39 119.74 124.75 2yro s LYS 36 Ca 0.07 -0.16 0.00 0.00 0.02 0.00 0.00 55.97 55.90 2yro s LYS 36 Cb -0.19 -3.79 0.00 0.00 -0.52 0.00 0.00 37.83 33.33 2yro s LYS 36 CO -0.07 -0.59 0.00 0.41 -0.92 0.00 0.00 175.35 174.18 2yro n GLY 37 N 4.79 3.27 3.32 -3.33 0.00 -1.21 -2.15 105.19 109.89 2yro n GLY 37 Ca -0.05 -0.89 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 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 0.71 1.07 -0.02 1.61 2.02 -0.39 -3.43 118.70 120.28 2yro s GLU 38 Ca 0.00 -0.87 0.01 0.00 0.02 0.00 0.00 54.97 54.14 2yro s GLU 38 Cb 0.00 0.43 -0.03 0.00 0.10 0.00 0.00 34.13 34.63 2yro s GLU 38 CO 0.00 -0.41 -0.02 0.08 0.02 0.00 0.00 175.26 174.94 2yro s VAL 39 N -3.85 4.05 0.33 2.63 1.01 -0.85 -1.19 120.40 122.53 2yro s VAL 39 Ca 0.07 -0.56 -0.22 0.00 0.00 0.00 0.00 61.98 61.27 2yro s VAL 39 Cb 0.02 -2.77 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 2yro s VAL 39 CO -0.09 0.44 0.86 0.20 0.00 0.00 0.00 175.10 176.51 2yro s ASN 40 N -1.36 7.08 0.38 3.32 0.01 -1.26 -1.28 114.94 121.84 2yro s ASN 40 Ca 0.17 1.62 0.10 0.00 -0.71 0.00 0.00 52.86 54.04 2yro s ASN 40 Cb -0.11 -2.50 0.86 0.00 0.41 0.00 0.00 41.25 39.91 2yro s ASN 40 CO 0.08 -0.15 1.93 0.00 -1.51 0.00 0.00 177.10 177.45 2yro h ALA 41 N 2.74 1.86 -0.70 0.60 0.00 -1.93 -0.69 119.26 121.13 2yro h ALA 41 Ca -0.48 -0.01 -0.39 0.00 0.00 0.00 0.00 54.91 54.03 2yro h ALA 41 Cb 1.19 -0.13 -0.23 0.00 0.00 0.00 0.00 17.79 18.61 2yro h ALA 41 CO 0.64 -0.03 0.26 0.09 0.00 0.00 0.00 179.25 180.21 2yro n ASN 42 N -4.50 3.73 -4.67 0.00 3.02 -1.26 -4.76 115.26 106.82 2yro n ASN 42 Ca 0.13 -3.73 -0.42 0.00 -0.03 0.00 0.00 54.58 50.53 2yro n ASN 42 Cb 0.37 -0.74 -0.03 0.00 -0.61 0.00 0.00 39.78 38.78 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 -3.37 3.52 -0.04 5.41 0.00 -0.27 -4.96 121.76 122.04 2yro s ALA 43 Ca 0.52 0.22 -0.16 0.00 0.00 0.00 0.00 51.96 52.54 2yro s ALA 43 Cb 0.45 -3.41 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 2yro s ALA 43 CO 0.04 -0.75 0.67 -0.22 0.00 0.00 0.00 175.76 175.50 2yro h LYS 44 N 7.27 -0.42 -1.26 0.00 3.64 -1.89 -3.48 116.57 120.43 2yro h LYS 44 Ca -0.27 0.03 0.19 0.00 -1.27 0.00 0.00 60.65 59.33 2yro h LYS 44 Cb 1.12 0.10 -0.25 0.00 -0.41 0.00 0.00 32.23 32.78 2yro h LYS 44 CO 0.89 -0.19 0.81 -1.54 -2.27 0.00 0.00 179.45 177.14 2yro s SER 45 N -5.09 -0.15 0.44 4.20 1.04 -1.26 -3.89 113.70 108.98 2yro s SER 45 Ca -0.09 0.15 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2yro s SER 45 Cb 0.01 0.13 -0.00 0.00 0.10 0.00 0.00 66.02 66.26 2yro s SER 45 CO 0.29 -0.15 0.00 2.22 0.98 0.00 0.00 173.24 176.58 2yro n PHE 46 N 0.52 1.01 -3.64 5.02 -1.74 -1.26 -2.91 117.46 114.47 2yro n PHE 46 Ca -0.03 -2.20 -0.10 0.00 -0.56 0.00 0.00 57.45 54.56 2yro n PHE 46 Cb 0.58 -0.29 -0.07 0.00 1.52 0.00 0.00 39.48 41.23 2yro n PHE 46 CO 0.00 0.00 0.00 0.54 -0.56 0.00 0.00 176.76 176.74 2yro s ASN 47 N -3.44 -0.56 -0.44 5.98 4.22 0.37 -3.17 114.94 117.90 2yro s ASN 47 Ca 0.01 1.06 -0.02 0.00 -2.14 0.00 0.00 52.86 51.76 2yro s ASN 47 Cb 0.00 1.10 0.12 0.00 1.28 0.00 0.00 41.25 43.74 2yro s ASN 47 CO 0.00 -0.18 0.23 -0.69 -2.04 0.00 0.00 177.10 174.42 2yro s VAL 48 N 0.43 3.28 -0.29 3.54 1.01 -0.62 -1.56 120.40 126.20 2yro s VAL 48 Ca 0.01 -2.23 -0.24 0.00 0.00 0.00 0.00 61.98 59.53 2yro s VAL 48 Cb -0.05 -3.24 -0.00 0.00 0.00 0.00 0.00 36.38 33.09 2yro s VAL 48 CO -0.06 -0.72 0.79 -1.81 0.00 0.00 0.00 175.10 173.31 2yro s ASP 49 N 1.58 6.70 -0.35 3.32 1.01 0.36 -3.10 116.67 126.18 2yro s ASP 49 Ca 0.10 0.76 -0.05 0.00 0.71 0.00 0.00 52.55 54.07 2yro s ASP 49 Cb -0.22 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.36 2yro s ASP 49 CO -0.04 -0.58 0.12 -0.22 0.21 0.00 0.00 175.17 174.66 2yro s LEU 50 N 2.91 4.52 0.44 1.23 2.96 -0.39 -1.52 118.68 128.81 2yro s LEU 50 Ca 0.33 -1.42 0.03 0.00 -0.22 0.00 0.00 54.13 52.85 2yro s LEU 50 Cb -0.14 -1.83 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2yro s LEU 50 CO 0.11 -0.38 0.05 -1.48 -1.32 0.00 0.00 176.35 173.33 2yro s LEU 51 N 1.31 2.29 -0.05 -0.68 0.05 -1.25 -0.79 118.68 119.56 2yro s LEU 51 Ca 0.00 -1.57 0.00 0.00 0.05 0.00 0.00 54.13 52.61 2yro s LEU 51 Cb -0.21 -0.52 -0.03 0.00 -2.05 0.00 0.00 46.19 43.38 2yro s LEU 51 CO 0.00 -0.77 -0.03 0.00 -0.55 0.00 0.00 176.35 175.00 2yro s ALA 52 N -3.01 3.14 -1.22 1.48 0.00 -1.16 -2.95 121.76 118.04 2yro s ALA 52 Ca 0.21 -0.89 0.00 0.00 0.00 0.00 0.00 51.96 51.28 2yro s ALA 52 Cb 0.04 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 21.85 2yro s ALA 52 CO 0.11 0.60 0.59 0.41 0.00 0.00 0.00 175.76 177.47 2yro n GLY 53 N 1.97 0.92 0.12 0.00 0.00 -1.26 -1.88 105.19 105.06 2yro n GLY 53 Ca -0.17 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.75 2yro n GLY 53 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2yro n LYS 54 N -0.10 0.52 -0.55 1.61 4.76 -1.26 -4.74 118.16 118.39 2yro n LYS 54 Ca 0.00 0.21 0.07 0.00 -2.87 0.00 0.00 58.31 55.71 2yro n LYS 54 Cb 0.19 -1.41 0.18 0.00 -1.84 0.00 0.00 35.03 32.14 2yro n LYS 54 CO 0.00 0.00 0.00 0.43 -1.37 0.00 0.00 177.40 176.46 2yro n SER 55 N -4.42 1.76 -3.88 4.39 7.64 -1.25 -4.98 113.62 112.87 2yro n SER 55 Ca -0.17 -3.55 -0.25 0.00 1.01 0.00 0.00 58.87 55.92 2yro n SER 55 Cb 0.53 -0.48 -0.07 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.04 -0.93 -3.87 1.43 4.76 -0.79 -4.88 118.16 112.85 2yro n LYS 56 Ca 0.17 0.08 -0.36 0.00 -2.87 0.00 0.00 58.31 55.33 2yro n LYS 56 Cb 0.71 -2.88 -0.14 0.00 -1.84 0.00 0.00 35.03 30.89 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 -3.85 4.67 -0.17 4.39 1.01 -1.25 -4.88 116.67 116.60 2yro s ASP 57 Ca 0.10 -0.79 -0.29 0.00 0.71 0.00 0.00 52.55 52.29 2yro s ASP 57 Cb -0.06 -1.76 -0.04 0.00 1.01 0.00 0.00 42.92 42.07 2yro s ASP 57 CO 0.77 -0.15 1.78 -0.63 0.21 0.00 0.00 175.17 177.15 2yro s ILE 58 N 1.40 3.46 -0.00 0.77 1.01 -0.92 -2.96 121.20 123.96 2yro s ILE 58 Ca 0.01 0.52 -0.16 0.00 0.00 0.00 0.00 60.65 61.03 2yro s ILE 58 Cb -0.17 -3.46 -0.34 0.00 0.01 0.00 0.00 42.46 38.51 2yro s ILE 58 CO -0.01 -0.18 0.89 0.00 0.00 0.00 0.00 174.94 175.64 2yro h ALA 59 N 11.35 -0.08 -3.38 9.38 0.00 -1.23 -2.58 119.26 132.72 2yro h ALA 59 Ca -0.38 -0.91 -0.34 0.00 0.00 0.00 0.00 54.91 53.29 2yro h ALA 59 Cb 1.18 0.24 -0.37 0.00 0.00 0.00 0.00 17.79 18.85 2yro h ALA 59 CO 0.98 0.72 -0.73 -1.17 0.00 0.00 0.00 179.25 179.05 2yro s LEU 60 N -7.58 0.50 -0.41 0.00 2.96 -1.05 -4.39 118.68 108.70 2yro s LEU 60 Ca -0.12 0.08 0.03 0.00 -0.22 0.00 0.00 54.13 53.90 2yro s LEU 60 Cb 0.04 -0.08 0.12 0.00 0.50 0.00 0.00 46.19 46.76 2yro s LEU 60 CO 0.90 -0.20 0.17 -2.28 -1.32 0.00 0.00 176.35 173.62 2yro s HIS 61 N 1.73 2.78 -0.45 5.38 5.65 0.13 -1.27 115.29 129.25 2yro s HIS 61 Ca -0.01 -2.69 -0.14 0.00 0.25 0.00 0.00 55.06 52.47 2yro s HIS 61 Cb -0.12 -2.42 0.06 0.00 -1.18 0.00 0.00 32.58 28.92 2yro s HIS 61 CO -0.03 -0.83 0.35 -0.51 -0.65 0.00 0.00 174.74 173.07 2yro s LEU 62 N 0.52 5.43 -0.40 8.88 1.43 -1.18 -1.73 118.68 131.63 2yro s LEU 62 Ca 0.14 -1.26 -0.00 0.00 -1.03 0.00 0.00 54.13 51.98 2yro s LEU 62 Cb -0.22 -2.15 0.11 0.00 0.03 0.00 0.00 46.19 43.96 2yro s LEU 62 CO -0.06 -0.58 0.16 0.21 0.23 0.00 0.00 176.35 176.31 2yro s ASN 63 N 2.32 5.05 1.00 2.29 3.04 0.13 -1.58 114.94 127.19 2yro s ASN 63 Ca 0.04 -2.15 -0.12 0.00 0.04 0.00 0.00 52.86 50.66 2yro s ASN 63 Cb -0.23 -1.75 0.19 0.00 -1.54 0.00 0.00 41.25 37.92 2yro s ASN 63 CO 0.07 -0.47 1.09 -2.16 -3.04 0.00 0.00 177.10 172.59 2yro s PRO 64 N 0.95 0.38 -0.14 0.43 0.04 -1.19 -1.51 135.00 133.95 2yro s PRO 64 Ca 0.10 0.51 -0.06 0.00 0.04 0.00 0.00 61.00 61.59 2yro s PRO 64 Cb -0.21 -1.73 0.06 0.00 0.04 0.00 0.00 34.50 32.66 2yro s PRO 64 CO -0.05 -2.77 0.31 1.03 0.04 0.00 0.00 177.00 175.56 2yro s ARG 65 N -4.96 0.23 0.03 4.56 0.52 0.27 -4.25 118.95 115.34 2yro s ARG 65 Ca 0.65 0.76 0.14 0.00 -0.52 0.00 0.00 55.73 56.77 2yro s ARG 65 Cb -0.19 0.02 -0.17 0.00 0.52 0.00 0.00 34.95 35.13 2yro s ARG 65 CO 0.58 -0.23 0.80 -0.07 0.02 0.00 0.00 175.30 176.39 2yro h LEU 66 N 7.83 0.00 -0.55 2.53 3.38 -1.82 -0.49 115.31 126.19 2yro h LEU 66 Ca -0.24 0.00 0.06 0.00 0.09 0.00 0.00 57.88 57.79 2yro h LEU 66 Cb 1.13 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.80 2yro h LEU 66 CO 0.21 0.78 -0.51 -1.13 0.09 0.00 0.00 178.44 177.89 2yro h ASN 67 N 0.00 -1.76 -0.01 -0.43 -1.24 -1.95 -2.93 115.58 107.26 2yro h ASN 67 Ca -0.20 0.24 -0.02 0.00 0.71 0.00 0.00 56.30 57.03 2yro h ASN 67 Cb 1.78 0.74 -0.04 0.00 0.73 0.00 0.00 38.32 41.53 2yro h ASN 67 CO 0.07 -0.30 -0.55 2.30 -1.29 0.00 0.00 177.43 177.65 2yro n ILE 68 N -5.05 2.04 -4.06 2.57 -0.00 -1.26 -4.97 119.36 108.63 2yro n ILE 68 Ca -0.01 -3.09 -0.30 0.00 -0.00 0.00 0.00 62.75 59.35 2yro n ILE 68 Cb 0.28 -0.16 -0.02 0.00 -0.00 0.00 0.00 39.64 39.74 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 -0.99 -3.25 -4.14 6.28 4.01 -1.03 -4.94 118.16 114.09 2yro n LYS 69 Ca 0.18 0.39 -0.36 0.00 -0.51 0.00 0.00 58.31 58.01 2yro n LYS 69 Cb 0.73 -4.73 -0.08 0.00 -0.51 0.00 0.00 35.03 30.44 2yro n LYS 69 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2yro s ALA 70 N -3.71 3.57 -0.39 7.82 0.00 -0.22 -4.83 121.76 123.99 2yro s ALA 70 Ca 0.30 -0.73 -0.02 0.00 0.00 0.00 0.00 51.96 51.50 2yro s ALA 70 Cb -0.16 -1.71 0.10 0.00 0.00 0.00 0.00 23.12 21.36 2yro s ALA 70 CO 0.90 0.61 0.17 0.12 0.00 0.00 0.00 175.76 177.56 2yro s PHE 71 N -0.96 3.60 -0.21 0.00 2.19 -1.26 0.94 117.98 122.27 2yro s PHE 71 Ca 0.14 -2.47 -0.26 0.00 0.33 0.00 0.00 56.93 54.67 2yro s PHE 71 Cb -0.12 -3.11 -0.01 0.00 -1.31 0.00 0.00 43.02 38.48 2yro s PHE 71 CO 0.04 -0.96 0.88 0.08 1.83 0.00 0.00 175.22 177.08 2yro s VAL 72 N 1.11 4.82 -0.08 3.12 1.01 -0.57 -3.38 120.40 126.44 2yro s VAL 72 Ca 0.08 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.76 2yro s VAL 72 Cb -0.22 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2yro s VAL 72 CO -0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 175.10 174.93 2yro s ARG 73 N 2.63 1.30 0.22 2.72 1.70 -1.23 0.17 118.95 126.46 2yro s ARG 73 Ca 0.38 -0.22 -0.17 0.00 -0.47 0.00 0.00 55.73 55.26 2yro s ARG 73 Cb -0.16 -1.28 0.06 0.00 -0.57 0.00 0.00 34.95 33.01 2yro s ARG 73 CO 0.09 -0.14 0.82 -1.71 -1.08 0.00 0.00 175.30 173.28 2yro n ASN 74 N 4.42 -1.65 -4.11 -2.89 5.15 -0.71 -3.89 115.26 111.57 2yro n ASN 74 Ca -0.18 -1.98 -0.09 0.00 -0.60 0.00 0.00 54.58 51.73 2yro n ASN 74 Cb 0.51 2.71 -0.10 0.00 -0.53 0.00 0.00 39.78 42.37 2yro n ASN 74 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2yro s SER 75 N -2.99 0.79 -0.30 1.20 0.15 -1.26 0.21 113.70 111.50 2yro s SER 75 Ca 0.18 -0.91 0.03 0.00 0.70 0.00 0.00 55.95 55.94 2yro s SER 75 Cb -0.03 0.13 0.08 0.00 -1.71 0.00 0.00 66.02 64.49 2yro s SER 75 CO 0.07 -0.47 -0.02 0.12 1.20 0.00 0.00 173.24 174.14 2yro s PHE 76 N -3.31 3.30 0.06 3.44 5.36 -0.97 -2.25 117.98 123.61 2yro s PHE 76 Ca 0.05 -2.54 0.07 0.00 -0.96 0.00 0.00 56.93 53.55 2yro s PHE 76 Cb 0.03 -2.34 -0.03 0.00 -0.34 0.00 0.00 43.02 40.34 2yro s PHE 76 CO -0.06 -0.90 -0.20 -0.51 -1.46 0.00 0.00 175.22 172.09 2yro s LEU 77 N 1.07 2.20 -1.73 6.12 1.43 -0.15 -2.16 118.68 125.46 2yro s LEU 77 Ca 0.02 -0.56 -0.16 0.00 -1.03 0.00 0.00 54.13 52.40 2yro s LEU 77 Cb -0.19 -0.92 0.15 0.00 0.03 0.00 0.00 46.19 45.26 2yro s LEU 77 CO -0.08 0.12 0.54 0.00 0.23 0.00 0.00 176.35 177.16 2yro n GLN 78 N 1.66 -1.73 -3.73 1.70 6.02 -1.26 0.11 117.38 120.15 2yro n GLN 78 Ca -0.18 0.23 -0.26 0.00 -0.01 0.00 0.00 57.00 56.78 2yro n GLN 78 Cb 0.53 -4.62 0.06 0.00 1.02 0.00 0.00 30.24 27.23 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 -4.28 -6.76 -3.81 -1.09 1.02 -1.26 -4.99 120.64 99.47 2yro n GLU 79 Ca -0.01 0.72 -0.13 0.00 -0.02 0.00 0.00 57.16 57.73 2yro n GLU 79 Cb 0.53 -5.69 -0.13 0.00 -0.02 0.00 0.00 31.44 26.13 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 -3.43 -0.13 -0.10 1.62 0.15 0.30 -5.15 113.70 106.96 2yro s SER 80 Ca 0.56 0.27 -0.11 0.00 0.70 0.00 0.00 55.95 57.37 2yro s SER 80 Cb -0.26 0.25 -0.05 0.00 -1.71 0.00 0.00 66.02 64.25 2yro s SER 80 CO 0.78 -0.07 0.24 0.26 1.20 0.00 0.00 173.24 175.65 2yro s TRP 81 N 0.32 3.59 0.00 3.44 0.52 -1.26 -0.97 118.94 124.57 2yro s TRP 81 Ca -0.02 0.65 0.00 0.00 0.02 0.00 0.00 56.10 56.75 2yro s TRP 81 Cb -0.03 -2.14 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 2yro s TRP 81 CO -0.01 0.56 0.00 0.41 0.02 0.00 0.00 176.95 177.93 2yro n GLY 82 N 2.39 -0.41 3.26 0.98 0.00 -0.95 -5.01 105.19 105.44 2yro n GLY 82 Ca -0.16 -0.16 -0.31 0.00 0.00 0.00 0.00 46.02 45.39 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 2.57 -0.02 1.61 8.01 -1.26 -4.98 118.70 124.63 2yro s GLU 83 Ca 0.00 -0.89 -0.02 0.00 0.01 0.00 0.00 54.97 54.07 2yro s GLU 83 Cb 0.00 -2.15 -0.04 0.00 -4.31 0.00 0.00 34.13 27.63 2yro s GLU 83 CO 0.00 0.35 0.14 -1.21 0.01 0.00 0.00 175.26 174.55 2yro s GLU 84 N -0.10 3.29 -0.04 1.61 2.02 -1.26 -4.45 118.70 119.76 2yro s GLU 84 Ca -0.05 -0.37 -0.29 0.00 0.02 0.00 0.00 54.97 54.28 2yro s GLU 84 Cb -0.14 -3.01 0.10 0.00 0.10 0.00 0.00 34.13 31.19 2yro s GLU 84 CO 0.04 0.67 0.88 -2.00 0.02 0.00 0.00 175.26 174.88 2yro s GLU 85 N -1.76 0.81 -0.16 1.61 2.12 -1.25 -4.96 118.70 115.11 2yro s GLU 85 Ca 0.24 -0.13 -0.04 0.00 0.36 0.00 0.00 54.97 55.41 2yro s GLU 85 Cb -0.12 0.38 -0.08 0.00 0.26 0.00 0.00 34.13 34.56 2yro s GLU 85 CO 0.15 -0.32 -0.17 0.54 -0.54 0.00 0.00 175.26 174.92 2yro n ARG 86 N 0.14 0.36 -3.54 4.30 3.00 -1.22 -3.47 116.66 116.24 2yro n ARG 86 Ca -0.11 0.12 -0.21 0.00 -0.01 0.00 0.00 57.85 57.64 2yro n ARG 86 Cb 0.60 -1.18 -0.06 0.00 0.00 0.00 0.00 32.46 31.82 2yro n ARG 86 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.63 177.90 2yro n ASN 87 N -3.36 0.09 -4.22 0.55 6.94 -1.26 -4.72 115.26 109.29 2yro n ASN 87 Ca -0.29 -0.77 -0.25 0.00 -0.02 0.00 0.00 54.58 53.24 2yro n ASN 87 Cb 0.75 -0.97 -0.14 0.00 -2.36 0.00 0.00 39.78 37.06 2yro n ASN 87 CO 0.00 0.00 0.00 -0.51 -1.03 0.00 0.00 177.26 175.72 2yro s ILE 88 N -3.42 1.55 -0.13 1.53 2.07 -1.26 -4.99 121.20 116.55 2yro s ILE 88 Ca 0.15 -1.07 0.10 0.00 -1.41 0.00 0.00 60.65 58.41 2yro s ILE 88 Cb -0.09 -1.34 -0.15 0.00 0.13 0.00 0.00 42.46 41.02 2yro s ILE 88 CO 0.61 0.24 0.02 0.41 -1.91 0.00 0.00 174.94 174.31 2yro n THR 89 N 2.05 0.86 -4.52 4.00 -1.04 -1.26 -4.96 114.28 109.42 2yro n THR 89 Ca -0.17 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.04 2yro n THR 89 Cb 0.54 -0.72 -0.17 0.00 -1.82 0.00 0.00 70.33 68.16 2yro n THR 89 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2yro s SER 90 N -4.65 2.73 -0.39 8.00 0.15 -1.26 -5.10 113.70 113.17 2yro s SER 90 Ca -0.08 -0.50 -0.12 0.00 0.70 0.00 0.00 55.95 55.95 2yro s SER 90 Cb 0.04 -1.24 0.03 0.00 -1.71 0.00 0.00 66.02 63.14 2yro s SER 90 CO 0.49 0.04 0.24 0.12 1.20 0.00 0.00 173.24 175.33 2yro s PHE 91 N 0.95 3.25 -0.02 3.44 5.36 -1.26 -4.97 117.98 124.72 2yro s PHE 91 Ca -0.06 -0.93 -0.25 0.00 -0.96 0.00 0.00 56.93 54.73 2yro s PHE 91 Cb -0.15 -2.54 -0.19 0.00 -0.34 0.00 0.00 43.02 39.79 2yro s PHE 91 CO -0.02 -0.66 1.22 -1.00 -1.46 0.00 0.00 175.22 173.29 2yro h PRO 92 N 8.49 -0.07 -6.08 10.12 0.13 -1.98 -3.45 132.00 139.16 2yro h PRO 92 Ca -0.26 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 64.10 2yro h PRO 92 Cb 1.11 0.02 0.04 0.00 0.13 0.00 0.00 31.00 32.29 2yro h PRO 92 CO 0.70 0.39 0.37 1.19 -0.23 0.00 0.00 178.00 180.42 2yro n PHE 93 N -4.89 1.22 -3.91 1.56 3.72 -1.26 -4.96 117.46 108.94 2yro n PHE 93 Ca -0.08 0.91 -0.11 0.00 -0.05 0.00 0.00 57.45 58.12 2yro n PHE 93 Cb 0.25 -2.22 -0.13 0.00 -0.94 0.00 0.00 39.48 36.45 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 1.06 0.08 -0.34 4.37 0.01 -1.26 -4.98 113.70 112.64 2yro s SER 94 Ca 0.93 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 57.73 2yro s SER 94 Cb -1.21 0.07 -0.01 0.00 0.21 0.00 0.00 66.02 65.08 2yro s SER 94 CO 0.60 -0.13 1.69 -2.16 0.41 0.00 0.00 173.24 173.65 2yro s PRO 95 N -0.61 3.44 0.00 12.44 0.04 -1.26 -3.10 135.00 145.95 2yro s PRO 95 Ca -0.07 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.32 2yro s PRO 95 Cb -0.04 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2yro s PRO 95 CO -0.00 -1.73 0.00 0.41 0.04 0.00 0.00 177.00 175.72 2yro n GLY 96 N 5.28 0.89 3.31 0.56 0.00 -0.41 -4.55 105.19 110.27 2yro n GLY 96 Ca 0.21 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.95 1.13 0.08 1.61 0.23 -1.18 -4.94 119.30 114.28 2yro s MET 97 Ca 0.00 -1.25 -0.16 0.00 -1.03 0.00 0.00 55.69 53.25 2yro s MET 97 Cb 0.00 0.35 -0.06 0.00 -1.53 0.00 0.00 34.83 33.59 2yro s MET 97 CO 0.00 -0.40 0.52 -0.47 -2.03 0.00 0.00 175.02 172.64 2yro s TYR 98 N -3.99 3.72 -0.10 3.16 5.04 -1.26 -2.00 117.35 121.91 2yro s TYR 98 Ca 0.20 1.12 -0.09 0.00 -2.44 0.00 0.00 57.07 55.86 2yro s TYR 98 Cb 0.04 -2.40 0.03 0.00 0.35 0.00 0.00 41.96 39.98 2yro s TYR 98 CO 0.01 0.55 0.27 -0.59 -1.34 0.00 0.00 175.55 174.45 2yro s PHE 99 N -1.23 -0.29 -0.16 4.97 -0.12 -1.22 -4.90 117.98 115.02 2yro s PHE 99 Ca 0.31 0.72 0.00 0.00 -0.05 0.00 0.00 56.93 57.91 2yro s PHE 99 Cb -0.17 0.10 0.03 0.00 -0.63 0.00 0.00 43.02 42.35 2yro s PHE 99 CO 0.18 -0.14 -0.13 -2.00 -0.05 0.00 0.00 175.22 173.08 2yro s GLU 100 N 0.15 2.19 -0.25 1.99 2.12 -1.26 -3.31 118.70 120.33 2yro s GLU 100 Ca -0.00 -0.62 -0.11 0.00 0.36 0.00 0.00 54.97 54.59 2yro s GLU 100 Cb -0.02 -2.17 -0.05 0.00 0.26 0.00 0.00 34.13 32.15 2yro s GLU 100 CO 0.00 -0.29 0.20 1.41 -0.54 0.00 0.00 175.26 176.04 2yro s MET 101 N 1.47 4.04 -0.24 4.30 -2.45 -1.00 -0.98 119.30 124.44 2yro s MET 101 Ca 0.03 -0.23 0.01 0.00 -1.25 0.00 0.00 55.69 54.25 2yro s MET 101 Cb -0.14 -3.58 0.04 0.00 1.25 0.00 0.00 34.83 32.40 2yro s MET 101 CO -0.10 -0.03 -0.11 0.42 1.05 0.00 0.00 175.02 176.25 2yro s ILE 102 N 1.33 2.42 -0.52 10.11 1.01 -0.60 0.11 121.20 135.06 2yro s ILE 102 Ca 0.09 -1.24 -0.18 0.00 0.00 0.00 0.00 60.65 59.31 2yro s ILE 102 Cb -0.14 -2.26 0.08 0.00 0.01 0.00 0.00 42.46 40.14 2yro s ILE 102 CO 0.07 0.19 0.58 -0.63 0.00 0.00 0.00 174.94 175.15 2yro s ILE 103 N 1.23 4.96 -0.16 2.92 1.09 0.07 -2.91 121.20 128.40 2yro s ILE 103 Ca -0.02 -0.78 -0.07 0.00 -1.10 0.00 0.00 60.65 58.67 2yro s ILE 103 Cb -0.17 -4.30 -0.04 0.00 -1.06 0.00 0.00 42.46 36.88 2yro s ILE 103 CO -0.07 -0.83 0.08 -0.47 -0.10 0.00 0.00 174.94 173.56 2yro s TYR 104 N 2.36 3.34 -0.43 3.97 5.04 -1.21 -1.80 117.35 128.63 2yro s TYR 104 Ca 0.11 0.22 -0.08 0.00 -2.44 0.00 0.00 57.07 54.88 2yro s TYR 104 Cb -0.22 -2.04 0.09 0.00 0.35 0.00 0.00 41.96 40.14 2yro s TYR 104 CO 0.09 0.33 0.26 0.00 -1.34 0.00 0.00 175.55 174.89 2yro n ASP 106 N 4.87 3.89 -1.86 0.00 -0.08 -1.25 -0.23 116.55 121.88 2yro n ASP 106 Ca -0.09 -2.95 -0.10 0.00 -1.51 0.00 0.00 54.79 50.15 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 -0.21 -0.23 0.00 5.18 0.31 -1.26 -4.59 118.33 117.53 2yro n VAL 107 Ca 0.33 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.66 2yro n VAL 107 Cb 1.17 -1.15 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 -2.19 0.79 -3.62 5.55 5.12 -1.26 -5.09 116.66 115.96 2yro n ARG 108 Ca -0.11 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.79 2yro n ARG 108 Cb 0.45 -0.65 -0.01 0.00 -1.16 0.00 0.00 32.46 31.09 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 -1.29 0.59 -0.53 5.56 -1.05 -1.26 -3.93 118.70 116.79 2yro s GLU 109 Ca 0.00 -0.29 -0.21 0.00 -0.15 0.00 0.00 54.97 54.32 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 -0.27 0.77 -0.06 0.95 0.00 0.00 175.26 176.65 2yro s PHE 110 N -2.70 2.93 0.17 4.83 0.08 0.66 -3.97 117.98 119.97 2yro s PHE 110 Ca 0.11 -0.33 -0.05 0.00 0.12 0.00 0.00 56.93 56.78 2yro s PHE 110 Cb 0.01 -3.79 -0.06 0.00 -0.57 0.00 0.00 43.02 38.62 2yro s PHE 110 CO -0.04 -1.19 0.41 0.15 -0.10 0.00 0.00 175.22 174.46 2yro s LYS 111 N 3.21 3.64 -0.06 0.44 1.02 -1.19 -2.61 119.74 124.19 2yro s LYS 111 Ca 0.21 -0.04 -0.03 0.00 0.02 0.00 0.00 55.97 56.14 2yro s LYS 111 Cb -0.16 -2.80 0.04 0.00 -0.52 0.00 0.00 37.83 34.38 2yro s LYS 111 CO 0.15 0.43 0.13 0.54 -0.92 0.00 0.00 175.35 175.67 2yro s VAL 112 N -1.72 -0.10 -0.05 3.17 0.11 -1.25 -3.31 120.40 117.24 2yro s VAL 112 Ca 0.42 0.24 0.04 0.00 -2.93 0.00 0.00 61.98 59.75 2yro s VAL 112 Cb -0.12 -0.23 -0.00 0.00 -1.53 0.00 0.00 36.38 34.50 2yro s VAL 112 CO 0.25 0.10 -0.17 0.00 -3.33 0.00 0.00 175.10 171.94 2yro s ALA 113 N 1.47 1.56 -0.13 1.54 0.00 -1.15 -2.36 121.76 122.69 2yro s ALA 113 Ca -0.06 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.20 2yro s ALA 113 Cb -0.12 -0.52 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 2yro s ALA 113 CO -0.05 0.28 -0.15 0.08 0.00 0.00 0.00 175.76 175.92 2yro s VAL 114 N 0.05 2.84 -1.32 0.00 1.01 0.39 -1.56 120.40 121.82 2yro s VAL 114 Ca -0.04 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.21 2yro s VAL 114 Cb -0.12 -2.19 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2yro s VAL 114 CO 0.02 0.52 0.00 0.59 0.00 0.00 0.00 175.10 176.24 2yro n ASN 115 N 3.66 -4.45 0.00 3.32 3.02 -0.15 -1.79 115.26 118.86 2yro n ASN 115 Ca -0.18 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.53 2yro n ASN 115 Cb 0.53 -3.40 0.00 0.00 -0.61 0.00 0.00 39.78 36.30 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 -1.15 1.45 3.57 7.41 0.00 -1.26 -4.93 105.19 110.28 2yro n GLY 116 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.71 3.52 0.68 1.61 0.11 -0.74 -5.05 120.40 117.82 2yro s VAL 117 Ca 0.00 -0.76 -0.12 0.00 -2.93 0.00 0.00 61.98 58.16 2yro s VAL 117 Cb 0.00 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.35 2yro s VAL 117 CO 0.00 0.44 1.07 -2.28 -3.33 0.00 0.00 175.10 171.00 2yro s HIS 118 N -0.94 2.93 0.00 1.54 2.46 -1.26 0.15 115.29 120.17 2yro s HIS 118 Ca 0.16 1.48 0.00 0.00 0.47 0.00 0.00 55.06 57.17 2yro s HIS 118 Cb -0.11 -2.97 0.00 0.00 -0.13 0.00 0.00 32.58 29.37 2yro s HIS 118 CO 0.06 -1.35 0.00 -1.13 -2.47 0.00 0.00 174.74 169.85 2yro n SER 119 N -2.83 0.00 -3.47 9.88 3.41 -1.00 -4.76 113.62 114.86 2yro n SER 119 Ca 0.08 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.48 2yro n SER 119 Cb 0.53 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.40 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 2yro s LEU 120 N -4.69 1.84 0.04 1.04 -0.00 -1.26 -5.01 118.68 110.64 2yro s LEU 120 Ca 0.00 -1.78 0.04 0.00 -0.00 0.00 0.00 54.13 52.39 2yro s LEU 120 Cb 0.00 0.42 -0.02 0.00 -0.00 0.00 0.00 46.19 46.59 2yro s LEU 120 CO 0.00 -1.06 -0.12 -1.61 -0.00 0.00 0.00 176.35 173.56 2yro s GLU 121 N -3.45 0.77 -0.19 1.48 2.02 -1.26 -3.95 118.70 114.12 2yro s GLU 121 Ca 0.36 -0.74 -0.04 0.00 0.02 0.00 0.00 54.97 54.58 2yro s GLU 121 Cb 0.02 -0.72 0.08 0.00 0.10 0.00 0.00 34.13 33.61 2yro s GLU 121 CO 0.26 0.17 0.19 -0.47 0.02 0.00 0.00 175.26 175.43 2yro s TYR 122 N -0.97 -0.17 0.66 1.61 6.14 -1.07 -5.04 117.35 118.51 2yro s TYR 122 Ca -0.02 0.12 -0.17 0.00 0.64 0.00 0.00 57.07 57.64 2yro s TYR 122 Cb -0.08 -0.43 -0.13 0.00 0.42 0.00 0.00 41.96 41.74 2yro s TYR 122 CO 0.01 -0.57 -0.13 1.63 0.64 0.00 0.00 175.55 177.14 2yro n LYS 123 N 5.31 0.08 -1.82 4.97 4.76 -1.26 -0.25 118.16 129.96 2yro n LYS 123 Ca -0.06 0.04 -0.20 0.00 -2.87 0.00 0.00 58.31 55.22 2yro n LYS 123 Cb 0.49 -1.19 -0.07 0.00 -1.84 0.00 0.00 35.03 32.42 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -1.37 0.00 0.00 177.40 175.02 2yro s HIS 124 N -1.97 1.50 0.15 2.13 3.76 -1.25 -4.35 115.29 115.26 2yro s HIS 124 Ca 0.55 1.34 -0.14 0.00 -0.15 0.00 0.00 55.06 56.66 2yro s HIS 124 Cb -0.39 -3.72 0.03 0.00 1.11 0.00 0.00 32.58 29.61 2yro s HIS 124 CO 0.68 -1.48 1.70 -0.09 -0.85 0.00 0.00 174.74 174.70 2yro h ARG 125 N 11.66 0.75 -5.75 1.40 2.43 -1.85 -3.40 114.38 119.62 2yro h ARG 125 Ca 0.07 -0.14 -0.60 0.00 -0.81 0.00 0.00 59.98 58.49 2yro h ARG 125 Cb 0.99 -0.12 -0.09 0.00 -0.42 0.00 0.00 29.97 30.33 2yro h ARG 125 CO 1.11 0.68 0.43 0.12 -1.51 0.00 0.00 179.97 180.80 2yro s PHE 126 N -5.51 3.30 0.03 2.20 5.36 -1.26 -4.97 117.98 117.13 2yro s PHE 126 Ca -0.13 1.08 -0.28 0.00 -0.96 0.00 0.00 56.93 56.63 2yro s PHE 126 Cb 0.11 -3.03 -0.16 0.00 -0.34 0.00 0.00 43.02 39.60 2yro s PHE 126 CO 0.78 -0.40 1.27 0.87 -1.46 0.00 0.00 175.22 176.28 2yro h LYS 127 N 7.73 -0.83 -6.11 10.12 1.79 -1.99 -3.40 116.57 123.88 2yro h LYS 127 Ca -0.24 0.06 -0.53 0.00 -2.18 0.00 0.00 60.65 57.76 2yro h LYS 127 Cb 1.10 0.19 -0.03 0.00 -1.58 0.00 0.00 32.23 31.90 2yro h LYS 127 CO 0.86 -0.51 1.31 -2.00 -1.08 0.00 0.00 179.45 178.04 2yro s GLU 128 N -5.04 2.94 0.06 3.15 2.12 -1.26 -4.81 118.70 115.87 2yro s GLU 128 Ca -0.15 0.97 0.17 0.00 0.36 0.00 0.00 54.97 56.32 2yro s GLU 128 Cb 0.02 -4.30 -0.13 0.00 0.26 0.00 0.00 34.13 29.98 2yro s GLU 128 CO 0.50 -2.34 0.82 1.28 -0.54 0.00 0.00 175.26 174.99 2yro n LEU 129 N 11.65 0.85 -0.95 2.70 4.77 -1.26 -3.86 117.00 130.89 2yro n LEU 129 Ca 0.22 0.37 0.02 0.00 -0.03 0.00 0.00 56.01 56.59 2yro n LEU 129 Cb 0.50 0.07 0.14 0.00 -2.33 0.00 0.00 43.42 41.80 2yro n LEU 129 CO 0.70 0.13 0.47 -1.54 -1.33 0.00 0.00 177.39 175.82 2yro n SER 130 N -2.88 2.56 -0.11 -1.43 3.41 -1.24 -3.50 113.62 110.43 2yro n SER 130 Ca -0.09 -2.30 -0.14 0.00 -0.26 0.00 0.00 58.87 56.07 2yro n SER 130 Cb 0.83 -0.55 -0.11 0.00 -0.26 0.00 0.00 64.21 64.13 2yro n SER 130 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2yro n SER 131 N 0.21 2.00 -4.53 4.04 2.88 -1.25 -4.77 113.62 112.20 2yro n SER 131 Ca 0.09 -0.10 -0.35 0.00 -1.33 0.00 0.00 58.87 57.19 2yro n SER 131 Cb 0.56 -0.11 -0.09 0.00 -0.75 0.00 0.00 64.21 63.82 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 -3.05 -0.04 -1.29 2.46 5.41 -1.24 -4.28 119.36 117.32 2yro n ILE 132 Ca -0.37 -0.47 0.08 0.00 1.00 0.00 0.00 62.75 62.98 2yro n ILE 132 Cb 0.94 -1.74 0.12 0.00 -0.71 0.00 0.00 39.64 38.25 2yro n ILE 132 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2yro n ASP 133 N 13.62 1.86 -3.87 4.38 9.92 -1.26 -1.75 116.55 139.46 2yro n ASP 133 Ca 0.50 -2.92 -0.11 0.00 -0.53 0.00 0.00 54.79 51.73 2yro n ASP 133 Cb 0.33 -0.39 -0.10 0.00 -0.64 0.00 0.00 41.12 40.32 2yro n ASP 133 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 2yro s THR 134 N -2.33 0.08 -0.17 -3.53 2.01 -1.15 -3.34 115.64 107.20 2yro s THR 134 Ca 0.27 -0.66 -0.04 0.00 0.31 0.00 0.00 61.69 61.57 2yro s THR 134 Cb 0.24 -0.42 0.06 0.00 0.01 0.00 0.00 72.50 72.38 2yro s THR 134 CO 0.02 -0.36 0.06 -0.22 -0.69 0.00 0.00 174.62 173.42 2yro s LEU 135 N -1.31 0.80 -0.24 4.42 2.96 0.29 -3.76 118.68 121.84 2yro s LEU 135 Ca -0.14 -0.68 -0.03 0.00 -0.22 0.00 0.00 54.13 53.07 2yro s LEU 135 Cb -0.07 -0.44 0.01 0.00 0.50 0.00 0.00 46.19 46.19 2yro s LEU 135 CO 0.02 -0.32 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.07 2yro s GLU 136 N 1.98 3.09 -0.13 1.98 2.02 -0.58 -1.94 118.70 125.13 2yro s GLU 136 Ca 0.01 -0.81 0.03 0.00 0.02 0.00 0.00 54.97 54.21 2yro s GLU 136 Cb -0.16 -3.00 0.01 0.00 0.10 0.00 0.00 34.13 31.08 2yro s GLU 136 CO -0.08 -0.31 -0.22 0.42 0.02 0.00 0.00 175.26 175.09 2yro s ILE 137 N 1.40 2.02 0.08 -1.63 1.01 0.08 -0.49 121.20 123.67 2yro s ILE 137 Ca 0.03 -0.96 0.01 0.00 0.00 0.00 0.00 60.65 59.73 2yro s ILE 137 Cb -0.15 -1.77 -0.04 0.00 0.01 0.00 0.00 42.46 40.50 2yro s ILE 137 CO -0.04 0.54 -0.06 0.20 0.00 0.00 0.00 174.94 175.59 2yro s ASN 138 N 0.71 0.91 0.00 3.58 -0.87 -0.60 -0.63 114.94 118.04 2yro s ASN 138 Ca -0.10 -0.95 0.00 0.00 -1.57 0.00 0.00 52.86 50.24 2yro s ASN 138 Cb -0.16 0.12 0.00 0.00 -0.02 0.00 0.00 41.25 41.19 2yro s ASN 138 CO 0.01 -0.47 0.00 0.61 -2.57 0.00 0.00 177.10 174.67 2yro n GLY 139 N 0.19 0.23 2.45 0.66 0.00 -1.26 -0.48 105.19 106.97 2yro n GLY 139 Ca -0.14 -1.49 -0.30 0.00 0.00 0.00 0.00 46.02 44.09 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 0.00 5.80 -4.41 1.61 8.00 -1.14 -4.96 116.55 121.45 2yro n ASP 140 Ca 0.00 -3.76 -0.21 0.00 0.71 0.00 0.00 54.79 51.53 2yro n ASP 140 Cb 0.00 -0.64 -0.10 0.00 -0.02 0.00 0.00 41.12 40.36 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 -5.11 1.66 -0.40 0.53 -5.25 -1.26 -4.03 121.20 107.34 2yro s ILE 141 Ca 0.52 -2.15 -0.13 0.00 -0.99 0.00 0.00 60.65 57.90 2yro s ILE 141 Cb 0.43 -2.35 0.02 0.00 2.95 0.00 0.00 42.46 43.51 2yro s ILE 141 CO -0.16 -0.37 0.27 -2.28 -1.79 0.00 0.00 174.94 170.61 2yro s HIS 142 N -3.01 3.24 0.35 1.37 5.65 -0.33 -4.88 115.29 117.68 2yro s HIS 142 Ca 0.28 -0.75 -0.24 0.00 0.25 0.00 0.00 55.06 54.59 2yro s HIS 142 Cb 0.03 -2.54 -0.10 0.00 -1.18 0.00 0.00 32.58 28.78 2yro s HIS 142 CO 0.11 -0.62 0.93 -1.17 -0.65 0.00 0.00 174.74 173.34 2yro s LEU 143 N 1.63 4.24 -0.03 8.88 2.96 -1.26 -1.26 118.68 133.83 2yro s LEU 143 Ca 0.04 1.78 -0.08 0.00 -0.22 0.00 0.00 54.13 55.65 2yro s LEU 143 Cb -0.19 -4.13 -0.03 0.00 0.50 0.00 0.00 46.19 42.34 2yro s LEU 143 CO 0.09 -0.14 -0.16 0.18 -1.32 0.00 0.00 176.35 175.00 2yro n LEU 144 N 0.26 1.42 -3.53 -0.68 4.77 -0.91 -1.60 117.00 116.72 2yro n LEU 144 Ca 0.03 0.22 -0.08 0.00 -0.03 0.00 0.00 56.01 56.15 2yro n LEU 144 Cb 0.51 -0.50 -0.03 0.00 -2.33 0.00 0.00 43.42 41.07 2yro n LEU 144 CO 0.42 -0.46 0.76 -0.70 -1.33 0.00 0.00 177.39 176.09 2yro s GLU 145 N -2.38 0.68 -0.06 3.23 2.12 -1.04 -3.39 118.70 117.86 2yro s GLU 145 Ca -0.13 -0.19 0.04 0.00 0.36 0.00 0.00 54.97 55.05 2yro s GLU 145 Cb 0.02 0.32 0.00 0.00 0.26 0.00 0.00 34.13 34.73 2yro s GLU 145 CO 0.19 -0.29 -0.18 0.08 -0.54 0.00 0.00 175.26 174.53 2yro s VAL 146 N -2.63 1.50 0.21 3.70 1.01 -1.26 -2.27 120.40 120.66 2yro s VAL 146 Ca 0.05 -0.73 0.10 0.00 0.00 0.00 0.00 61.98 61.40 2yro s VAL 146 Cb -0.01 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 35.02 2yro s VAL 146 CO -0.06 0.43 -0.20 -0.13 0.00 0.00 0.00 175.10 175.14 2yro s ARG 147 N 0.22 1.46 -0.22 2.72 0.52 -0.95 -5.02 118.95 117.69 2yro s ARG 147 Ca -0.09 -1.56 -0.04 0.00 -0.52 0.00 0.00 55.73 53.52 2yro s ARG 147 Cb -0.14 -1.58 0.11 0.00 0.52 0.00 0.00 34.95 33.87 2yro s ARG 147 CO 0.04 0.32 0.38 -1.54 0.02 0.00 0.00 175.30 174.51 2yro s SER 148 N -2.95 0.12 0.21 0.23 1.04 -1.26 -1.21 113.70 109.88 2yro s SER 148 Ca 0.22 0.48 0.05 0.00 0.48 0.00 0.00 55.95 57.18 2yro s SER 148 Cb -0.06 1.14 -0.05 0.00 0.10 0.00 0.00 66.02 67.15 2yro s SER 148 CO 0.10 -0.27 -0.07 -1.66 0.98 0.00 0.00 173.24 172.31 2yro s TRP 149 N 2.55 1.57 -0.18 5.02 -2.14 -1.14 -4.97 118.94 119.66 2yro s TRP 149 Ca 0.07 -0.76 -0.01 0.00 2.66 0.00 0.00 56.10 58.07 2yro s TRP 149 Cb -0.14 -0.84 -0.00 0.00 -3.10 0.00 0.00 33.47 29.39 2yro s TRP 149 CO -0.14 0.14 -0.13 0.45 -2.66 0.00 0.00 176.95 174.61 2yro s SER 150 N -3.29 3.77 -0.30 -2.66 0.15 -1.26 -2.25 113.70 107.86 2yro s SER 150 Ca 0.24 -0.47 -0.25 0.00 0.70 0.00 0.00 55.95 56.17 2yro s SER 150 Cb 0.03 -1.60 0.19 0.00 -1.71 0.00 0.00 66.02 62.92 2yro s SER 150 CO 0.06 0.04 1.41 -0.83 1.20 0.00 0.00 173.24 175.12 2yro s GLY 151 N 1.06 0.31 0.00 9.45 0.00 -1.25 -5.00 107.32 111.89 2yro s GLY 151 Ca -0.00 3.43 0.04 0.00 0.00 0.00 0.00 44.72 48.19 2yro s GLY 151 CO -0.03 1.89 0.71 -1.55 0.00 0.00 0.00 173.10 174.13 2yro n PRO 152 N 1.58 0.49 -1.00 2.90 -0.04 -1.26 -4.84 135.00 132.82 2yro n PRO 152 Ca -0.10 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.10 2yro n PRO 152 Cb 0.57 -1.13 -0.10 0.00 -0.04 0.00 0.00 33.50 32.79 2yro n PRO 152 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2yro n SER 153 N -0.63 0.09 -3.60 3.54 7.64 -1.26 0.18 113.62 119.58 2yro n SER 153 Ca 0.03 0.08 -0.21 0.00 1.01 0.00 0.00 58.87 59.78 2yro n SER 153 Cb 0.01 -0.59 0.05 0.00 -1.01 0.00 0.00 64.21 62.67 2yro n SER 153 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2yro n SER 154 N 6.73 -2.65 0.00 6.43 2.88 -1.26 -5.23 113.62 120.52 2yro n SER 154 Ca 0.44 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 57.17 2yro n SER 154 Cb 0.03 -4.26 0.00 0.00 -0.75 0.00 0.00 64.21 59.23 2yro n SER 154 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42