#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2yro n SER 2 N 0.00 5.40 -0.23 1.61 7.64 -1.26 -4.50 113.62 122.29 2yro n SER 2 Ca 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 58.87 57.36 2yro n SER 2 Cb 0.00 -1.26 0.10 0.00 -1.01 0.00 0.00 64.21 62.04 2yro n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2yro h SER 3 N 1.96 0.54 0.00 6.43 4.64 -2.10 -3.46 113.55 121.55 2yro h SER 3 Ca 0.11 0.03 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2yro h SER 3 Cb 1.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2yro h SER 3 CO 0.17 0.35 0.00 0.61 -0.87 0.00 0.00 176.83 177.09 2yro n GLY 4 N -1.28 1.97 2.55 -0.77 0.00 -1.26 -4.87 105.19 101.53 2yro n GLY 4 Ca 0.08 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 2yro n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2yro n SER 5 N 6.40 -3.45 -4.88 1.61 7.64 -1.26 -5.02 113.62 114.67 2yro n SER 5 Ca 0.00 -0.32 -0.30 0.00 1.01 0.00 0.00 58.87 59.26 2yro n SER 5 Cb 0.00 -3.08 -0.01 0.00 -1.01 0.00 0.00 64.21 60.11 2yro n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2yro s SER 6 N -3.43 6.35 -0.42 6.43 0.01 -1.26 -5.05 113.70 116.32 2yro s SER 6 Ca 0.19 1.27 0.01 0.00 1.31 0.00 0.00 55.95 58.73 2yro s SER 6 Cb -0.08 -2.39 0.22 0.00 0.21 0.00 0.00 66.02 63.97 2yro s SER 6 CO 0.41 -0.67 0.96 0.61 0.41 0.00 0.00 173.24 174.96 2yro n GLY 7 N -2.20 -1.06 3.60 3.44 0.00 -1.26 -5.04 105.19 102.66 2yro n GLY 7 Ca 0.04 0.79 -0.30 0.00 0.00 0.00 0.00 46.02 46.55 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 0.77 -1.19 0.43 1.61 0.04 -1.26 -5.09 135.00 130.30 2yro s PRO 8 Ca 0.27 -0.05 0.03 0.00 0.04 0.00 0.00 61.00 61.29 2yro s PRO 8 Cb 0.11 -1.60 -0.01 0.00 0.04 0.00 0.00 34.50 33.04 2yro s PRO 8 CO -0.11 -3.69 0.10 1.63 0.04 0.00 0.00 177.00 174.97 2yro n LYS 9 N -4.75 0.66 -3.63 4.56 5.02 -1.26 -5.17 118.16 113.60 2yro n LYS 9 Ca 0.13 -3.42 -0.12 0.00 -2.02 0.00 0.00 58.31 52.88 2yro n LYS 9 Cb 0.59 1.54 -0.07 0.00 -0.02 0.00 0.00 35.03 37.08 2yro n LYS 9 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2yro s SER 10 N -3.51 -0.59 0.00 4.39 0.01 -1.26 -5.08 113.70 107.66 2yro s SER 10 Ca 0.14 1.10 0.00 0.00 1.31 0.00 0.00 55.95 58.50 2yro s SER 10 Cb 0.01 1.10 0.00 0.00 0.21 0.00 0.00 66.02 67.34 2yro s SER 10 CO 0.10 -0.23 0.00 0.61 0.41 0.00 0.00 173.24 174.13 2yro n GLY 11 N 2.29 0.00 3.24 3.44 0.00 -1.26 -5.09 105.19 107.82 2yro n GLY 11 Ca -0.13 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 2yro n GLY 11 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2yro n THR 12 N -2.71 0.17 -2.12 2.61 -2.24 -1.26 -4.79 114.28 103.95 2yro n THR 12 Ca 0.00 -0.50 -0.43 0.00 -2.27 0.00 0.00 64.05 60.85 2yro n THR 12 Cb 0.31 -0.06 -0.03 0.00 -2.10 0.00 0.00 70.33 68.46 2yro n THR 12 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2yro s PRO 13 N -1.20 3.80 0.28 -0.78 0.04 -1.26 -5.00 135.00 130.88 2yro s PRO 13 Ca 0.56 1.66 0.01 0.00 0.04 0.00 0.00 61.00 63.27 2yro s PRO 13 Cb -0.46 -4.03 0.01 0.00 0.04 0.00 0.00 34.50 30.06 2yro s PRO 13 CO 0.67 -1.29 0.11 0.00 0.04 0.00 0.00 177.00 176.53 2yro n GLN 14 N 7.66 1.20 -3.93 4.56 -0.00 -1.26 -4.85 117.38 120.75 2yro n GLN 14 Ca 0.19 -1.90 -0.23 0.00 -0.00 0.00 0.00 57.00 55.06 2yro n GLN 14 Cb 0.45 0.36 -0.06 0.00 -0.00 0.00 0.00 30.24 30.99 2yro n GLN 14 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2yro s LEU 15 N 0.00 3.24 0.02 2.61 1.43 -1.04 -5.03 118.68 119.92 2yro s LEU 15 Ca 0.08 -0.91 0.07 0.00 -1.03 0.00 0.00 54.13 52.35 2yro s LEU 15 Cb -0.01 -1.70 -0.03 0.00 0.03 0.00 0.00 46.19 44.48 2yro s LEU 15 CO 0.05 -0.53 -0.20 -0.44 0.23 0.00 0.00 176.35 175.46 2yro s SER 16 N -3.97 3.60 0.21 2.29 0.01 -1.26 -4.55 113.70 110.03 2yro s SER 16 Ca 0.43 -0.44 -0.05 0.00 1.31 0.00 0.00 55.95 57.19 2yro s SER 16 Cb 0.00 -0.54 -0.06 0.00 0.21 0.00 0.00 66.02 65.64 2yro s SER 16 CO 0.24 0.27 0.47 -0.76 0.41 0.00 0.00 173.24 173.88 2yro s LEU 17 N -1.21 4.18 0.18 2.44 1.43 -1.26 -3.35 118.68 121.09 2yro s LEU 17 Ca 0.13 0.68 -0.30 0.00 -1.03 0.00 0.00 54.13 53.60 2yro s LEU 17 Cb -0.10 -3.44 -0.08 0.00 0.03 0.00 0.00 46.19 42.59 2yro s LEU 17 CO 0.03 -0.06 1.32 -2.16 0.23 0.00 0.00 176.35 175.71 2yro s PRO 18 N -3.03 4.38 -0.71 1.29 0.04 -1.26 -5.09 135.00 130.62 2yro s PRO 18 Ca 0.43 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.29 2yro s PRO 18 Cb -0.11 -3.21 0.07 0.00 0.04 0.00 0.00 34.50 31.29 2yro s PRO 18 CO 0.26 -0.28 1.02 0.12 0.04 0.00 0.00 177.00 178.15 2yro s PHE 19 N 0.32 2.69 -0.36 0.56 5.36 0.05 -4.92 117.98 121.69 2yro s PHE 19 Ca 0.58 -0.62 0.03 0.00 -0.96 0.00 0.00 56.93 55.96 2yro s PHE 19 Cb -0.36 -4.33 0.10 0.00 -0.34 0.00 0.00 43.02 38.09 2yro s PHE 19 CO 0.36 -1.67 0.09 0.00 -1.46 0.00 0.00 175.22 172.54 2yro s ALA 20 N 4.05 2.96 0.04 11.12 0.00 -1.26 -0.82 121.76 137.85 2yro s ALA 20 Ca 0.25 -2.57 -0.04 0.00 0.00 0.00 0.00 51.96 49.60 2yro s ALA 20 Cb -0.14 -2.06 -0.02 0.00 0.00 0.00 0.00 23.12 20.90 2yro s ALA 20 CO 0.08 -1.72 0.06 0.00 0.00 0.00 0.00 175.76 174.17 2yro s ALA 21 N 0.89 0.08 -0.02 0.00 0.00 -1.09 -5.00 121.76 116.61 2yro s ALA 21 Ca 0.11 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 2yro s ALA 21 Cb -0.20 0.26 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2yro s ALA 21 CO -0.07 -0.32 0.09 1.03 0.00 0.00 0.00 175.76 176.49 2yro s ARG 22 N -2.82 3.11 0.06 0.00 0.52 -1.26 -1.12 118.95 117.44 2yro s ARG 22 Ca -0.03 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.43 2yro s ARG 22 Cb 0.00 -2.89 -0.05 0.00 0.52 0.00 0.00 34.95 32.53 2yro s ARG 22 CO -0.06 0.66 1.04 -0.51 0.02 0.00 0.00 175.30 176.45 2yro s LEU 23 N -1.66 4.41 0.42 2.53 1.43 -1.19 -4.91 118.68 119.72 2yro s LEU 23 Ca 0.22 1.82 0.29 0.00 -1.03 0.00 0.00 54.13 55.43 2yro s LEU 23 Cb -0.12 -3.58 1.45 0.00 0.03 0.00 0.00 46.19 43.97 2yro s LEU 23 CO 0.13 -0.26 1.58 0.59 0.23 0.00 0.00 176.35 178.62 2yro n ASN 24 N 3.45 0.26 -4.25 2.29 3.02 -1.26 -4.36 115.26 114.41 2yro n ASN 24 Ca 0.05 1.49 -0.21 0.00 -0.03 0.00 0.00 54.58 55.89 2yro n ASN 24 Cb 0.49 -0.73 -0.12 0.00 -0.61 0.00 0.00 39.78 38.81 2yro n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 2yro s THR 25 N -5.35 1.46 -0.09 3.41 -4.23 -1.26 -5.11 115.64 104.47 2yro s THR 25 Ca -0.08 -1.57 -0.30 0.00 -1.18 0.00 0.00 61.69 58.57 2yro s THR 25 Cb 0.32 -1.45 -0.04 0.00 1.34 0.00 0.00 72.50 72.67 2yro s THR 25 CO 0.81 -0.23 1.51 -2.16 -0.54 0.00 0.00 174.62 174.02 2yro s PRO 26 N -2.16 4.20 0.69 3.99 0.04 -1.26 -4.90 135.00 135.60 2yro s PRO 26 Ca 0.06 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.99 2yro s PRO 26 Cb -0.08 -3.89 0.17 0.00 0.04 0.00 0.00 34.50 30.74 2yro s PRO 26 CO 0.04 -0.79 0.69 0.00 0.04 0.00 0.00 177.00 176.98 2yro n MET 27 N 6.86 -1.85 0.00 4.56 0.00 -1.00 -4.92 117.12 120.77 2yro n MET 27 Ca 0.16 -1.09 0.00 0.00 0.00 0.00 0.00 57.70 56.77 2yro n MET 27 Cb 0.43 -0.92 0.00 0.00 0.00 0.00 0.00 33.22 32.73 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 -1.34 -0.48 3.77 3.17 0.00 -1.23 -3.74 105.19 105.34 2yro n GLY 28 Ca 0.09 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.00 4.33 0.00 1.61 0.04 -1.26 -2.93 135.00 134.79 2yro s PRO 29 Ca 0.00 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.05 2yro s PRO 29 Cb 0.00 -2.98 0.00 0.00 0.04 0.00 0.00 34.50 31.56 2yro s PRO 29 CO 0.00 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.32 2yro n GLY 30 N 0.85 2.93 3.81 0.56 0.00 0.78 -4.98 105.19 109.15 2yro n GLY 30 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.08 4.09 -0.20 1.61 1.81 -1.15 -3.73 118.95 121.30 2yro s ARG 31 Ca 0.00 1.20 0.00 0.00 -1.72 0.00 0.00 55.73 55.21 2yro s ARG 31 Cb 0.00 -2.15 0.05 0.00 -0.45 0.00 0.00 34.95 32.40 2yro s ARG 31 CO 0.00 -0.16 -0.06 0.99 -0.68 0.00 0.00 175.30 175.38 2yro s THR 32 N -2.12 1.39 -0.34 0.02 2.01 -0.95 -3.25 115.64 112.41 2yro s THR 32 Ca 0.64 -0.94 -0.12 0.00 0.31 0.00 0.00 61.69 61.58 2yro s THR 32 Cb -0.11 -1.58 -0.01 0.00 0.01 0.00 0.00 72.50 70.81 2yro s THR 32 CO 0.15 0.05 0.21 -0.69 -0.69 0.00 0.00 174.62 173.65 2yro s VAL 33 N 1.49 4.99 0.01 3.82 1.01 -0.60 -2.64 120.40 128.48 2yro s VAL 33 Ca -0.02 -0.36 0.01 0.00 0.00 0.00 0.00 61.98 61.61 2yro s VAL 33 Cb -0.17 -3.58 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 2yro s VAL 33 CO -0.07 -0.01 0.05 0.68 0.00 0.00 0.00 175.10 175.74 2yro s VAL 34 N 1.67 4.45 -0.31 2.92 -7.23 -0.91 -1.05 120.40 119.93 2yro s VAL 34 Ca 0.05 -0.56 0.01 0.00 -1.81 0.00 0.00 61.98 59.67 2yro s VAL 34 Cb -0.17 -3.04 0.09 0.00 0.56 0.00 0.00 36.38 33.82 2yro s VAL 34 CO 0.09 0.32 0.07 -0.69 -0.31 0.00 0.00 175.10 174.57 2yro s VAL 35 N -1.19 1.32 -0.14 1.32 1.01 -0.44 -3.23 120.40 119.05 2yro s VAL 35 Ca 0.23 -1.61 -0.19 0.00 0.00 0.00 0.00 61.98 60.41 2yro s VAL 35 Cb -0.12 -1.94 -0.04 0.00 0.00 0.00 0.00 36.38 34.28 2yro s VAL 35 CO 0.14 -0.58 0.51 -0.54 0.00 0.00 0.00 175.10 174.64 2yro s LYS 36 N 1.40 4.30 0.03 2.72 1.02 -1.03 -2.80 119.74 125.38 2yro s LYS 36 Ca 0.08 0.48 -0.01 0.00 0.02 0.00 0.00 55.97 56.54 2yro s LYS 36 Cb -0.18 -3.48 0.00 0.00 -0.52 0.00 0.00 37.83 33.65 2yro s LYS 36 CO -0.18 0.04 0.06 0.41 -0.92 0.00 0.00 175.35 174.76 2yro n GLY 37 N 3.47 1.75 3.25 -3.33 0.00 -1.22 -1.61 105.19 107.49 2yro n GLY 37 Ca -0.06 -1.01 -0.10 0.00 0.00 0.00 0.00 46.02 44.86 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 0.35 0.47 1.61 2.02 0.11 -3.17 118.70 118.09 2yro s GLU 38 Ca 0.01 0.87 -0.22 0.00 0.02 0.00 0.00 54.97 55.65 2yro s GLU 38 Cb -0.00 0.10 -0.08 0.00 0.10 0.00 0.00 34.13 34.25 2yro s GLU 38 CO 0.01 -0.20 1.10 0.08 0.02 0.00 0.00 175.26 176.27 2yro s VAL 39 N 1.87 3.43 0.30 2.63 1.01 -0.58 -0.09 120.40 128.97 2yro s VAL 39 Ca -0.06 0.99 -0.19 0.00 0.00 0.00 0.00 61.98 62.72 2yro s VAL 39 Cb -0.10 -3.46 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 2yro s VAL 39 CO -0.12 -0.10 0.79 0.20 0.00 0.00 0.00 175.10 175.86 2yro s ASN 40 N -1.65 6.97 0.26 3.32 0.01 -1.24 -0.84 114.94 121.77 2yro s ASN 40 Ca 0.65 1.45 -0.03 0.00 -0.71 0.00 0.00 52.86 54.23 2yro s ASN 40 Cb -0.23 -2.44 0.44 0.00 0.41 0.00 0.00 41.25 39.43 2yro s ASN 40 CO 0.28 -0.12 1.82 0.00 -1.51 0.00 0.00 177.10 177.57 2yro h ALA 41 N 2.76 1.28 -0.95 0.60 0.00 -1.93 -1.21 119.26 119.82 2yro h ALA 41 Ca -0.48 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 53.86 2yro h ALA 41 Cb 1.18 -0.17 -0.30 0.00 0.00 0.00 0.00 17.79 18.51 2yro h ALA 41 CO 0.65 0.16 0.66 0.09 0.00 0.00 0.00 179.25 180.81 2yro n ASN 42 N -4.69 6.05 -4.86 0.00 4.13 -1.26 -4.74 115.26 109.89 2yro n ASN 42 Ca 0.15 -3.73 -0.34 0.00 1.68 0.00 0.00 54.58 52.34 2yro n ASN 42 Cb 0.29 -0.88 -0.06 0.00 -1.54 0.00 0.00 39.78 37.59 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 -3.62 3.63 -0.22 5.41 0.00 -0.46 -5.02 121.76 121.47 2yro s ALA 43 Ca 0.61 -0.25 -0.16 0.00 0.00 0.00 0.00 51.96 52.15 2yro s ALA 43 Cb 0.49 -2.41 -0.11 0.00 0.00 0.00 0.00 23.12 21.08 2yro s ALA 43 CO 0.03 0.51 -0.17 1.17 0.00 0.00 0.00 175.76 177.30 2yro n LYS 44 N 0.61 0.55 -3.61 0.00 4.81 -1.26 -4.92 118.16 114.33 2yro n LYS 44 Ca -0.05 0.38 -0.04 0.00 -0.87 0.00 0.00 58.31 57.73 2yro n LYS 44 Cb 0.52 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.95 2yro n LYS 44 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2yro s SER 45 N -6.69 -0.13 0.48 3.14 1.04 -1.26 -3.38 113.70 106.90 2yro s SER 45 Ca -0.30 0.09 0.02 0.00 0.48 0.00 0.00 55.95 56.24 2yro s SER 45 Cb 0.08 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.30 2yro s SER 45 CO 0.46 -0.16 0.02 0.72 0.98 0.00 0.00 173.24 175.26 2yro s PHE 46 N -1.60 1.92 -0.09 5.02 -0.71 -1.23 -3.00 117.98 118.30 2yro s PHE 46 Ca 0.07 -0.98 -0.25 0.00 -1.04 0.00 0.00 56.93 54.73 2yro s PHE 46 Cb -0.01 -1.55 0.06 0.00 -1.21 0.00 0.00 43.02 40.31 2yro s PHE 46 CO -0.05 0.17 0.58 0.54 -1.34 0.00 0.00 175.22 175.12 2yro s ASN 47 N -3.81 -0.55 -0.26 1.98 4.22 -0.50 -2.78 114.94 113.23 2yro s ASN 47 Ca 0.12 0.71 -0.00 0.00 -2.14 0.00 0.00 52.86 51.54 2yro s ASN 47 Cb 0.03 0.67 0.08 0.00 1.28 0.00 0.00 41.25 43.30 2yro s ASN 47 CO 0.06 -0.47 0.03 -0.69 -2.04 0.00 0.00 177.10 173.99 2yro s VAL 48 N -0.84 1.17 -0.19 3.54 1.01 -0.50 -2.00 120.40 122.59 2yro s VAL 48 Ca -0.09 -1.27 -0.18 0.00 0.00 0.00 0.00 61.98 60.44 2yro s VAL 48 Cb -0.02 -1.69 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 2yro s VAL 48 CO 0.06 -0.39 0.52 -1.81 0.00 0.00 0.00 175.10 173.48 2yro s ASP 49 N 1.52 6.58 -0.32 3.32 1.11 -0.17 -2.98 116.67 125.73 2yro s ASP 49 Ca 0.03 0.70 -0.01 0.00 0.18 0.00 0.00 52.55 53.45 2yro s ASP 49 Cb -0.18 -2.29 0.07 0.00 1.07 0.00 0.00 42.92 41.58 2yro s ASP 49 CO -0.14 -0.16 0.03 -0.22 1.18 0.00 0.00 175.17 175.86 2yro s LEU 50 N 1.49 4.17 0.45 1.23 2.96 -0.83 -2.04 118.68 126.11 2yro s LEU 50 Ca 0.24 -1.52 0.03 0.00 -0.22 0.00 0.00 54.13 52.67 2yro s LEU 50 Cb -0.15 -1.70 -0.03 0.00 0.50 0.00 0.00 46.19 44.80 2yro s LEU 50 CO 0.10 -0.31 0.04 -1.48 -1.32 0.00 0.00 176.35 173.37 2yro s LEU 51 N 1.17 2.34 -0.20 -0.68 0.05 -1.26 -0.29 118.68 119.83 2yro s LEU 51 Ca -0.02 -1.57 -0.00 0.00 0.05 0.00 0.00 54.13 52.59 2yro s LEU 51 Cb -0.20 -0.60 0.02 0.00 -2.05 0.00 0.00 46.19 43.36 2yro s LEU 51 CO -0.03 -0.76 -0.16 0.00 -0.55 0.00 0.00 176.35 174.86 2yro s ALA 52 N -2.96 2.46 0.59 1.48 0.00 -0.75 -3.41 121.76 119.17 2yro s ALA 52 Ca 0.19 -1.24 0.31 0.00 0.00 0.00 0.00 51.96 51.21 2yro s ALA 52 Cb 0.04 -1.33 1.33 0.00 0.00 0.00 0.00 23.12 23.16 2yro s ALA 52 CO 0.10 -0.42 1.68 0.78 0.00 0.00 0.00 175.76 177.90 2yro h GLY 53 N 7.97 0.00 0.32 0.00 0.00 -1.83 0.86 103.07 110.39 2yro h GLY 53 Ca -0.43 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2yro h GLY 53 CO 0.62 0.00 -0.46 1.70 0.00 0.00 0.00 176.54 178.40 2yro h LYS 54 N 0.00 -0.79 0.00 4.80 1.63 -1.94 -3.27 116.57 116.99 2yro h LYS 54 Ca 0.39 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.23 2yro h LYS 54 Cb 2.04 0.18 -0.05 0.00 -0.60 0.00 0.00 32.23 33.80 2yro h LYS 54 CO -0.00 -0.53 -0.50 0.43 -3.45 0.00 0.00 179.45 175.40 2yro n SER 55 N -5.19 1.67 -3.33 4.20 7.64 -0.60 -4.97 113.62 113.03 2yro n SER 55 Ca -0.10 -3.55 -0.22 0.00 1.01 0.00 0.00 58.87 56.01 2yro n SER 55 Cb 0.40 -0.48 -0.05 0.00 -1.01 0.00 0.00 64.21 63.07 2yro n SER 55 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2yro n LYS 56 N -0.95 -0.88 -4.04 1.43 4.01 0.29 -4.84 118.16 113.19 2yro n LYS 56 Ca 0.17 0.07 -0.34 0.00 -0.51 0.00 0.00 58.31 57.69 2yro n LYS 56 Cb 0.74 -2.49 -0.10 0.00 -0.51 0.00 0.00 35.03 32.66 2yro n LYS 56 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2yro s ASP 57 N -2.75 5.51 -0.82 4.39 1.01 -1.22 -4.81 116.67 117.98 2yro s ASP 57 Ca 0.33 0.04 -0.25 0.00 0.71 0.00 0.00 52.55 53.38 2yro s ASP 57 Cb -0.19 -1.94 0.01 0.00 1.01 0.00 0.00 42.92 41.80 2yro s ASP 57 CO 0.58 0.16 1.58 -0.63 0.21 0.00 0.00 175.17 177.08 2yro s ILE 58 N 0.44 3.64 0.15 0.77 1.01 -1.15 -1.82 121.20 124.24 2yro s ILE 58 Ca 0.02 -0.10 -0.17 0.00 0.00 0.00 0.00 60.65 60.41 2yro s ILE 58 Cb -0.13 -4.56 0.01 0.00 0.01 0.00 0.00 42.46 37.79 2yro s ILE 58 CO 0.01 -1.49 1.75 0.00 0.00 0.00 0.00 174.94 175.20 2yro h ALA 59 N 11.33 0.38 -3.52 9.38 0.00 -0.91 -2.57 119.26 133.35 2yro h ALA 59 Ca -0.08 0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.57 2yro h ALA 59 Cb 1.06 0.02 -0.34 0.00 0.00 0.00 0.00 17.79 18.53 2yro h ALA 59 CO 1.29 -0.28 -0.73 -1.17 0.00 0.00 0.00 179.25 178.36 2yro s LEU 60 N -10.31 1.06 -0.33 0.00 2.96 -1.10 -4.37 118.68 106.59 2yro s LEU 60 Ca -0.13 0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.85 2yro s LEU 60 Cb 0.12 -0.08 0.10 0.00 0.50 0.00 0.00 46.19 46.83 2yro s LEU 60 CO 0.71 -0.13 0.04 -2.28 -1.32 0.00 0.00 176.35 173.37 2yro s HIS 61 N 1.09 3.59 -0.35 5.38 5.65 0.21 -1.96 115.29 128.91 2yro s HIS 61 Ca -0.09 -2.88 -0.08 0.00 0.25 0.00 0.00 55.06 52.26 2yro s HIS 61 Cb -0.13 -2.79 0.04 0.00 -1.18 0.00 0.00 32.58 28.52 2yro s HIS 61 CO -0.03 -0.94 0.14 -0.51 -0.65 0.00 0.00 174.74 172.75 2yro s LEU 62 N 0.96 4.47 -0.38 8.88 1.43 -1.16 -1.64 118.68 131.24 2yro s LEU 62 Ca 0.10 -1.11 0.04 0.00 -1.03 0.00 0.00 54.13 52.13 2yro s LEU 62 Cb -0.19 -1.92 0.11 0.00 0.03 0.00 0.00 46.19 44.22 2yro s LEU 62 CO -0.09 -0.35 0.10 0.21 0.23 0.00 0.00 176.35 176.45 2yro s ASN 63 N 1.47 4.64 0.47 2.29 3.04 -0.69 -1.41 114.94 124.75 2yro s ASN 63 Ca -0.00 -2.35 -0.23 0.00 0.04 0.00 0.00 52.86 50.32 2yro s ASN 63 Cb -0.19 -1.61 -0.07 0.00 -1.54 0.00 0.00 41.25 37.83 2yro s ASN 63 CO 0.04 -0.35 1.16 -2.16 -3.04 0.00 0.00 177.10 172.75 2yro s PRO 64 N 0.63 3.72 -0.04 0.43 0.04 -1.12 -2.93 135.00 135.72 2yro s PRO 64 Ca 0.12 1.75 0.04 0.00 0.04 0.00 0.00 61.00 62.96 2yro s PRO 64 Cb -0.21 -2.36 -0.00 0.00 0.04 0.00 0.00 34.50 31.97 2yro s PRO 64 CO -0.06 -0.58 -0.15 1.03 0.04 0.00 0.00 177.00 177.27 2yro s ARG 65 N -2.76 1.65 -0.25 4.56 0.52 -1.20 -3.49 118.95 117.98 2yro s ARG 65 Ca 0.65 -0.54 0.02 0.00 -0.52 0.00 0.00 55.73 55.33 2yro s ARG 65 Cb -0.28 -1.43 -0.17 0.00 0.52 0.00 0.00 34.95 33.58 2yro s ARG 65 CO 0.34 0.20 -0.20 1.28 0.02 0.00 0.00 175.30 176.93 2yro n LEU 66 N 3.25 2.96 -0.06 2.53 4.77 -1.22 -2.64 117.00 126.59 2yro n LEU 66 Ca -0.19 -0.12 -0.09 0.00 -0.03 0.00 0.00 56.01 55.58 2yro n LEU 66 Cb 0.53 -0.92 -0.03 0.00 -2.33 0.00 0.00 43.42 40.67 2yro n LEU 66 CO 0.25 0.94 0.63 -0.55 -1.33 0.00 0.00 177.39 177.33 2yro h ASN 67 N 0.00 -1.08 -0.60 -1.43 7.08 -1.95 -1.70 115.58 115.90 2yro h ASN 67 Ca -0.57 0.17 0.00 0.00 -3.08 0.00 0.00 56.30 52.82 2yro h ASN 67 Cb 1.91 0.48 0.00 0.00 -2.08 0.00 0.00 38.32 38.63 2yro h ASN 67 CO -0.08 -0.35 0.00 2.30 -2.08 0.00 0.00 177.43 177.22 2yro n ILE 68 N -5.41 1.55 -3.91 6.14 -6.64 -1.26 -4.97 119.36 104.86 2yro n ILE 68 Ca -0.01 -1.17 -0.29 0.00 -1.77 0.00 0.00 62.75 59.51 2yro n ILE 68 Cb 0.33 0.24 -0.03 0.00 -1.44 0.00 0.00 39.64 38.75 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 1.06 -0.69 -3.84 6.28 5.02 -0.64 -4.91 118.16 120.44 2yro n LYS 69 Ca 0.23 -0.02 -0.22 0.00 -2.02 0.00 0.00 58.31 56.28 2yro n LYS 69 Cb 0.77 -2.07 -0.17 0.00 -0.02 0.00 0.00 35.03 33.54 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 0.71 -0.04 7.82 0.00 -1.08 -4.65 121.76 120.55 2yro s ALA 70 Ca 0.18 -0.12 -0.30 0.00 0.00 0.00 0.00 51.96 51.72 2yro s ALA 70 Cb -0.10 -0.69 -0.03 0.00 0.00 0.00 0.00 23.12 22.30 2yro s ALA 70 CO 0.72 -0.38 1.15 0.12 0.00 0.00 0.00 175.76 177.37 2yro s PHE 71 N 1.77 3.32 -0.42 0.00 2.19 -1.26 -3.22 117.98 120.36 2yro s PHE 71 Ca 0.02 1.33 -0.06 0.00 0.33 0.00 0.00 56.93 58.55 2yro s PHE 71 Cb -0.13 -3.36 0.10 0.00 -1.31 0.00 0.00 43.02 38.32 2yro s PHE 71 CO -0.04 -1.02 0.23 0.08 1.83 0.00 0.00 175.22 176.30 2yro s VAL 72 N 1.91 3.73 -0.12 3.12 1.01 -1.15 -4.49 120.40 124.41 2yro s VAL 72 Ca 0.55 -1.76 -0.02 0.00 0.00 0.00 0.00 61.98 60.75 2yro s VAL 72 Cb -0.24 -3.42 -0.03 0.00 0.00 0.00 0.00 36.38 32.69 2yro s VAL 72 CO 0.23 -0.61 -0.04 0.00 0.00 0.00 0.00 175.10 174.67 2yro s ARG 73 N 1.28 3.33 0.14 2.72 1.70 -1.26 -1.70 118.95 125.16 2yro s ARG 73 Ca 0.05 -0.52 -0.25 0.00 -0.47 0.00 0.00 55.73 54.54 2yro s ARG 73 Cb -0.23 -2.80 0.07 0.00 -0.57 0.00 0.00 34.95 31.42 2yro s ARG 73 CO -0.01 0.41 1.03 1.21 -1.08 0.00 0.00 175.30 176.85 2yro s ASN 74 N -0.11 -0.10 0.08 -2.89 2.47 -0.65 -4.26 114.94 109.48 2yro s ASN 74 Ca 0.02 -0.46 0.04 0.00 0.42 0.00 0.00 52.86 52.88 2yro s ASN 74 Cb -0.13 0.45 -0.03 0.00 -1.45 0.00 0.00 41.25 40.09 2yro s ASN 74 CO 0.03 -0.86 -0.11 -0.55 -3.72 0.00 0.00 177.10 171.88 2yro s SER 75 N -3.10 1.45 -0.32 -4.21 0.15 -1.26 0.67 113.70 107.08 2yro s SER 75 Ca 0.16 -0.72 0.03 0.00 0.70 0.00 0.00 55.95 56.12 2yro s SER 75 Cb -0.01 -0.01 0.08 0.00 -1.71 0.00 0.00 66.02 64.38 2yro s SER 75 CO 0.03 -0.19 0.01 0.12 1.20 0.00 0.00 173.24 174.40 2yro s PHE 76 N -1.93 3.55 -0.02 3.44 5.36 -0.97 -2.57 117.98 124.83 2yro s PHE 76 Ca 0.01 -2.63 0.04 0.00 -0.96 0.00 0.00 56.93 53.39 2yro s PHE 76 Cb -0.06 -2.56 -0.01 0.00 -0.34 0.00 0.00 43.02 40.05 2yro s PHE 76 CO 0.01 -0.92 -0.16 -0.51 -1.46 0.00 0.00 175.22 172.19 2yro s LEU 77 N 1.02 1.97 -1.50 6.12 1.43 -1.02 -2.95 118.68 123.74 2yro s LEU 77 Ca 0.03 -0.30 -0.13 0.00 -1.03 0.00 0.00 54.13 52.70 2yro s LEU 77 Cb -0.20 -0.84 0.07 0.00 0.03 0.00 0.00 46.19 45.26 2yro s LEU 77 CO -0.06 0.17 0.98 0.00 0.23 0.00 0.00 176.35 177.67 2yro n GLN 78 N 2.88 -5.77 -3.73 1.70 6.02 -1.26 -1.01 117.38 116.20 2yro n GLN 78 Ca -0.16 0.64 -0.28 0.00 -0.01 0.00 0.00 57.00 57.19 2yro n GLN 78 Cb 0.54 -5.55 0.03 0.00 1.02 0.00 0.00 30.24 26.28 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 -4.68 -5.42 -3.70 -1.09 1.02 -1.26 -4.97 120.64 100.54 2yro n GLU 79 Ca 0.03 0.63 -0.15 0.00 -0.02 0.00 0.00 57.16 57.66 2yro n GLU 79 Cb 0.53 -5.52 -0.15 0.00 -0.02 0.00 0.00 31.44 26.29 2yro n GLU 79 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2yro s SER 80 N -3.16 0.30 0.09 1.62 0.01 -0.18 -5.14 113.70 107.24 2yro s SER 80 Ca 0.59 0.34 -0.29 0.00 1.31 0.00 0.00 55.95 57.90 2yro s SER 80 Cb -0.29 0.26 -0.05 0.00 0.21 0.00 0.00 66.02 66.15 2yro s SER 80 CO 0.73 -0.20 0.93 0.26 0.41 0.00 0.00 173.24 175.38 2yro s TRP 81 N 1.76 3.79 0.00 2.43 0.52 -1.26 -2.45 118.94 123.73 2yro s TRP 81 Ca -0.03 1.74 0.00 0.00 0.02 0.00 0.00 56.10 57.83 2yro s TRP 81 Cb -0.12 -3.03 0.00 0.00 -1.15 0.00 0.00 33.47 29.18 2yro s TRP 81 CO -0.06 0.19 0.00 0.41 0.02 0.00 0.00 176.95 177.51 2yro n GLY 82 N 2.34 -1.34 3.29 0.98 0.00 -1.06 -4.99 105.19 104.41 2yro n GLY 82 Ca 0.02 -0.78 -0.34 0.00 0.00 0.00 0.00 46.02 44.91 2yro n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2yro s GLU 83 N 0.00 3.33 0.43 1.61 2.12 -1.26 -5.00 118.70 119.93 2yro s GLU 83 Ca 0.00 -0.66 -0.04 0.00 0.36 0.00 0.00 54.97 54.63 2yro s GLU 83 Cb 0.00 -2.90 -0.04 0.00 0.26 0.00 0.00 34.13 31.45 2yro s GLU 83 CO 0.00 -0.14 0.71 -1.21 -0.54 0.00 0.00 175.26 174.09 2yro s GLU 84 N 1.29 3.55 -0.16 4.30 2.02 -1.26 -4.83 118.70 123.61 2yro s GLU 84 Ca 0.03 0.08 -0.05 0.00 0.02 0.00 0.00 54.97 55.05 2yro s GLU 84 Cb -0.14 -2.46 0.08 0.00 0.10 0.00 0.00 34.13 31.70 2yro s GLU 84 CO -0.03 -0.08 0.31 -2.00 0.02 0.00 0.00 175.26 173.48 2yro s GLU 85 N -4.49 0.21 -0.95 1.61 2.12 -1.26 -5.07 118.70 110.86 2yro s GLU 85 Ca 0.46 0.81 -0.07 0.00 0.36 0.00 0.00 54.97 56.53 2yro s GLU 85 Cb -0.10 0.02 0.24 0.00 0.26 0.00 0.00 34.13 34.55 2yro s GLU 85 CO 0.41 -0.30 0.89 1.03 -0.54 0.00 0.00 175.26 176.74 2yro s ARG 86 N 2.48 3.65 -0.28 4.30 0.52 -1.26 -4.50 118.95 123.86 2yro s ARG 86 Ca 0.01 -3.07 -0.04 0.00 -0.52 0.00 0.00 55.73 52.11 2yro s ARG 86 Cb -0.12 -4.26 0.16 0.00 0.52 0.00 0.00 34.95 31.25 2yro s ARG 86 CO -0.10 -1.25 0.55 1.21 0.02 0.00 0.00 175.30 175.73 2yro s ASN 87 N 0.88 -0.93 0.01 0.23 3.84 -1.26 -4.99 114.94 112.71 2yro s ASN 87 Ca 0.26 0.94 -0.06 0.00 0.21 0.00 0.00 52.86 54.22 2yro s ASN 87 Cb -0.10 1.94 -0.00 0.00 -0.55 0.00 0.00 41.25 42.53 2yro s ASN 87 CO -0.09 -0.25 0.10 0.27 -2.79 0.00 0.00 177.10 174.33 2yro s ILE 88 N 2.79 0.10 0.18 -5.21 -4.36 -1.26 -4.97 121.20 108.46 2yro s ILE 88 Ca 0.11 -0.79 -0.13 0.00 -0.26 0.00 0.00 60.65 59.57 2yro s ILE 88 Cb -0.14 -0.46 0.08 0.00 1.25 0.00 0.00 42.46 43.18 2yro s ILE 88 CO -0.19 -0.44 1.76 0.74 0.24 0.00 0.00 174.94 177.05 2yro h THR 89 N 4.26 0.87 -1.78 8.37 2.02 -1.99 -3.45 112.91 121.21 2yro h THR 89 Ca -0.31 -0.13 0.03 0.00 0.77 0.00 0.00 66.41 66.77 2yro h THR 89 Cb 1.20 0.46 -0.21 0.00 -1.74 0.00 0.00 68.15 67.86 2yro h THR 89 CO 0.42 0.07 0.41 -0.55 0.37 0.00 0.00 175.52 176.24 2yro s SER 90 N -5.41 -0.47 -0.51 4.18 0.15 -1.26 -5.13 113.70 105.26 2yro s SER 90 Ca -0.13 0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.82 2yro s SER 90 Cb 0.14 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.91 2yro s SER 90 CO 0.73 -0.46 0.58 0.12 1.20 0.00 0.00 173.24 175.41 2yro s PHE 91 N -1.30 3.09 -0.02 3.44 5.36 -1.26 -4.94 117.98 122.35 2yro s PHE 91 Ca -0.05 -0.68 -0.25 0.00 -0.96 0.00 0.00 56.93 55.00 2yro s PHE 91 Cb -0.00 -3.50 -0.19 0.00 -0.34 0.00 0.00 43.02 38.98 2yro s PHE 91 CO 0.04 -1.00 1.20 -1.00 -1.46 0.00 0.00 175.22 173.00 2yro h PRO 92 N 8.96 -0.10 -5.31 10.12 0.13 -1.98 -3.45 132.00 140.36 2yro h PRO 92 Ca -0.28 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.21 2yro h PRO 92 Cb 1.10 0.02 0.07 0.00 0.13 0.00 0.00 31.00 32.32 2yro h PRO 92 CO 0.96 0.35 -0.20 1.19 -0.23 0.00 0.00 178.00 180.06 2yro n PHE 93 N -4.91 0.07 -3.86 1.56 3.72 -1.26 -4.96 117.46 107.81 2yro n PHE 93 Ca -0.08 0.90 -0.11 0.00 -0.05 0.00 0.00 57.45 58.10 2yro n PHE 93 Cb 0.25 -1.79 -0.10 0.00 -0.94 0.00 0.00 39.48 36.90 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 -0.44 -0.01 -0.08 4.37 0.01 -1.26 -4.99 113.70 111.30 2yro s SER 94 Ca 0.69 -0.11 -0.30 0.00 1.31 0.00 0.00 55.95 57.54 2yro s SER 94 Cb -0.98 0.23 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 2yro s SER 94 CO 0.50 -0.31 1.52 -2.16 0.41 0.00 0.00 173.24 173.19 2yro s PRO 95 N -1.13 4.20 0.00 12.44 0.04 -1.26 -3.35 135.00 145.95 2yro s PRO 95 Ca -0.12 2.01 0.00 0.00 0.04 0.00 0.00 61.00 62.93 2yro s PRO 95 Cb -0.06 -3.89 0.00 0.00 0.04 0.00 0.00 34.50 30.59 2yro s PRO 95 CO 0.01 -0.79 0.00 0.41 0.04 0.00 0.00 177.00 176.68 2yro n GLY 96 N 3.94 0.70 3.30 0.56 0.00 -0.02 -4.59 105.19 109.07 2yro n GLY 96 Ca 0.16 -0.48 -0.11 0.00 0.00 0.00 0.00 46.02 45.59 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 -3.64 1.23 -0.36 1.61 0.23 -1.21 -4.93 119.30 112.24 2yro s MET 97 Ca 0.00 -1.45 -0.11 0.00 -1.03 0.00 0.00 55.69 53.11 2yro s MET 97 Cb 0.00 0.33 0.02 0.00 -1.53 0.00 0.00 34.83 33.65 2yro s MET 97 CO 0.00 -0.43 0.19 -0.47 -2.03 0.00 0.00 175.02 172.28 2yro s TYR 98 N -4.08 3.23 -0.07 3.16 6.14 -1.26 -1.52 117.35 122.94 2yro s TYR 98 Ca 0.30 -0.86 0.03 0.00 0.64 0.00 0.00 57.07 57.18 2yro s TYR 98 Cb 0.05 -2.42 -0.02 0.00 0.42 0.00 0.00 41.96 39.99 2yro s TYR 98 CO 0.08 -0.60 -0.17 -0.59 0.64 0.00 0.00 175.55 174.91 2yro s PHE 99 N 1.57 2.66 -0.20 4.97 -0.12 -1.19 -4.93 117.98 120.74 2yro s PHE 99 Ca 0.03 -0.45 -0.00 0.00 -0.05 0.00 0.00 56.93 56.45 2yro s PHE 99 Cb -0.19 -1.68 0.02 0.00 -0.63 0.00 0.00 43.02 40.54 2yro s PHE 99 CO 0.07 -0.04 -0.15 -2.00 -0.05 0.00 0.00 175.22 173.05 2yro s GLU 100 N -0.26 2.99 -0.23 1.99 2.12 -1.26 -3.44 118.70 120.60 2yro s GLU 100 Ca 0.01 -0.85 -0.13 0.00 0.36 0.00 0.00 54.97 54.36 2yro s GLU 100 Cb -0.13 -2.73 -0.04 0.00 0.26 0.00 0.00 34.13 31.48 2yro s GLU 100 CO 0.03 -0.26 0.27 1.41 -0.54 0.00 0.00 175.26 176.17 2yro s MET 101 N 1.32 4.09 -0.32 4.30 -2.45 -1.12 -2.77 119.30 122.34 2yro s MET 101 Ca 0.03 -0.07 -0.03 0.00 -1.25 0.00 0.00 55.69 54.37 2yro s MET 101 Cb -0.14 -3.56 0.05 0.00 1.25 0.00 0.00 34.83 32.42 2yro s MET 101 CO -0.09 -0.04 0.04 0.42 1.05 0.00 0.00 175.02 176.40 2yro s ILE 102 N 1.34 3.27 -0.42 10.11 1.09 -0.91 -1.33 121.20 134.35 2yro s ILE 102 Ca 0.12 -1.32 -0.16 0.00 -1.10 0.00 0.00 60.65 58.19 2yro s ILE 102 Cb -0.14 -2.88 0.03 0.00 -1.06 0.00 0.00 42.46 38.40 2yro s ILE 102 CO 0.07 -0.15 0.35 -0.63 -0.10 0.00 0.00 174.94 174.48 2yro s ILE 103 N 1.30 5.21 -0.04 2.92 1.01 -0.22 -2.93 121.20 128.45 2yro s ILE 103 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2yro s ILE 103 Cb -0.20 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.25 2yro s ILE 103 CO 0.00 -0.39 -0.04 -0.47 0.00 0.00 0.00 174.94 174.04 2yro s TYR 104 N 1.79 3.00 -0.36 3.97 5.04 -1.21 -1.56 117.35 128.02 2yro s TYR 104 Ca 0.07 0.05 -0.02 0.00 -2.44 0.00 0.00 57.07 54.73 2yro s TYR 104 Cb -0.19 -1.69 0.09 0.00 0.35 0.00 0.00 41.96 40.52 2yro s TYR 104 CO 0.10 0.40 0.12 0.00 -1.34 0.00 0.00 175.55 174.83 2yro n ASP 106 N 4.57 3.64 -1.88 0.00 -0.08 -1.25 -0.15 116.55 121.39 2yro n ASP 106 Ca -0.05 -3.20 -0.11 0.00 -1.51 0.00 0.00 54.79 49.92 2yro n ASP 106 Cb 0.42 -0.75 -0.03 0.00 2.34 0.00 0.00 41.12 43.10 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 -0.68 -0.27 0.00 5.18 0.31 -1.26 -4.61 118.33 117.01 2yro n VAL 107 Ca 0.44 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.77 2yro n VAL 107 Cb 1.37 -1.35 0.00 0.00 -0.91 0.00 0.00 33.84 32.96 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 -2.26 0.65 -3.60 5.55 5.12 -1.26 -5.09 116.66 115.77 2yro n ARG 108 Ca -0.12 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.76 2yro n ARG 108 Cb 0.49 -0.63 -0.02 0.00 -1.16 0.00 0.00 32.46 31.14 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 0.33 -0.51 5.56 -1.05 -1.26 -3.57 118.70 116.95 2yro s GLU 109 Ca 0.00 -0.14 -0.22 0.00 -0.15 0.00 0.00 54.97 54.46 2yro s GLU 109 Cb 0.00 0.14 0.04 0.00 -0.44 0.00 0.00 34.13 33.88 2yro s GLU 109 CO 0.00 -0.15 0.76 -0.06 0.95 0.00 0.00 175.26 176.76 2yro s PHE 110 N -2.43 2.95 0.37 4.83 0.40 0.17 -3.88 117.98 120.38 2yro s PHE 110 Ca 0.10 -0.22 -0.08 0.00 -0.60 0.00 0.00 56.93 56.14 2yro s PHE 110 Cb 0.00 -3.73 -0.06 0.00 0.51 0.00 0.00 43.02 39.75 2yro s PHE 110 CO -0.04 -1.13 0.68 0.15 0.70 0.00 0.00 175.22 175.58 2yro s LYS 111 N 3.21 3.69 -0.17 0.44 1.02 -1.09 -1.84 119.74 125.01 2yro s LYS 111 Ca 0.23 0.25 -0.06 0.00 0.02 0.00 0.00 55.97 56.41 2yro s LYS 111 Cb -0.15 -2.49 0.08 0.00 -0.52 0.00 0.00 37.83 34.74 2yro s LYS 111 CO 0.16 0.05 0.33 0.54 -0.92 0.00 0.00 175.35 175.52 2yro s VAL 112 N -2.30 -0.52 0.15 3.17 0.11 -1.24 -3.32 120.40 116.45 2yro s VAL 112 Ca 0.48 0.20 0.11 0.00 -2.93 0.00 0.00 61.98 59.84 2yro s VAL 112 Cb -0.10 -0.56 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 2yro s VAL 112 CO 0.32 0.08 -0.25 0.00 -3.33 0.00 0.00 175.10 171.91 2yro s ALA 113 N 2.51 2.46 -0.08 1.54 0.00 -1.15 -3.48 121.76 123.56 2yro s ALA 113 Ca 0.01 -1.52 0.01 0.00 0.00 0.00 0.00 51.96 50.46 2yro s ALA 113 Cb -0.12 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.63 2yro s ALA 113 CO -0.11 0.50 -0.10 0.08 0.00 0.00 0.00 175.76 176.13 2yro s VAL 114 N -1.29 1.05 -1.12 0.00 1.01 0.14 -2.14 120.40 118.06 2yro s VAL 114 Ca 0.17 -0.40 -0.04 0.00 0.00 0.00 0.00 61.98 61.71 2yro s VAL 114 Cb -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.29 2yro s VAL 114 CO 0.08 0.35 0.96 0.59 0.00 0.00 0.00 175.10 177.07 2yro n ASN 115 N 4.12 -4.01 -3.06 3.32 3.02 -1.12 -2.51 115.26 115.02 2yro n ASN 115 Ca -0.20 -0.50 -0.22 0.00 -0.03 0.00 0.00 54.58 53.62 2yro n ASN 115 Cb 0.51 -4.48 0.04 0.00 -0.61 0.00 0.00 39.78 35.24 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 -1.48 -0.49 3.19 7.41 0.00 -1.26 -4.99 105.19 107.56 2yro n GLY 116 Ca -0.12 0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 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 -3.20 -0.02 -0.03 1.61 1.01 -1.04 -5.14 120.40 113.59 2yro s VAL 117 Ca 0.36 0.07 -0.28 0.00 0.00 0.00 0.00 61.98 62.12 2yro s VAL 117 Cb -0.16 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.71 2yro s VAL 117 CO 0.44 0.03 0.91 -2.28 0.00 0.00 0.00 175.10 174.20 2yro s HIS 118 N 0.81 3.62 -0.07 5.22 2.46 -1.26 0.25 115.29 126.32 2yro s HIS 118 Ca -0.05 1.58 -0.08 0.00 0.47 0.00 0.00 55.06 56.97 2yro s HIS 118 Cb -0.06 -3.05 -0.03 0.00 -0.13 0.00 0.00 32.58 29.31 2yro s HIS 118 CO -0.06 -0.01 -0.16 0.43 -2.47 0.00 0.00 174.74 172.47 2yro n SER 119 N 3.99 1.01 -4.11 9.88 7.64 -1.23 -4.95 113.62 125.85 2yro n SER 119 Ca 0.05 0.17 -0.11 0.00 1.01 0.00 0.00 58.87 59.99 2yro n SER 119 Cb 0.51 -0.56 -0.09 0.00 -1.01 0.00 0.00 64.21 63.06 2yro n SER 119 CO 0.00 0.00 0.00 -1.48 -3.01 0.00 0.00 175.04 170.55 2yro s LEU 120 N -6.54 1.14 0.44 -3.43 -0.00 -1.26 -4.94 118.68 104.10 2yro s LEU 120 Ca -0.14 -1.18 0.05 0.00 -0.00 0.00 0.00 54.13 52.86 2yro s LEU 120 Cb 0.02 0.73 -0.05 0.00 -0.00 0.00 0.00 46.19 46.88 2yro s LEU 120 CO 0.20 -0.87 0.01 -1.61 -0.00 0.00 0.00 176.35 174.08 2yro s GLU 121 N -4.08 2.04 -0.25 1.48 8.01 -1.26 -3.61 118.70 121.03 2yro s GLU 121 Ca 0.29 -2.21 -0.02 0.00 0.01 0.00 0.00 54.97 53.03 2yro s GLU 121 Cb 0.05 -1.56 0.13 0.00 -4.31 0.00 0.00 34.13 28.44 2yro s GLU 121 CO 0.07 -0.17 0.36 -0.47 0.01 0.00 0.00 175.26 175.05 2yro s TYR 122 N -2.80 -0.76 0.68 1.61 6.14 -0.77 -5.02 117.35 116.43 2yro s TYR 122 Ca 0.24 0.60 -0.17 0.00 0.64 0.00 0.00 57.07 58.38 2yro s TYR 122 Cb 0.07 -0.09 -0.10 0.00 0.42 0.00 0.00 41.96 42.26 2yro s TYR 122 CO 0.12 -0.77 0.09 1.63 0.64 0.00 0.00 175.55 177.27 2yro n LYS 123 N 5.35 0.17 -1.62 4.97 5.02 -1.26 0.42 118.16 131.21 2yro n LYS 123 Ca -0.03 0.08 -0.37 0.00 -2.02 0.00 0.00 58.31 55.97 2yro n LYS 123 Cb 0.50 -1.40 -0.03 0.00 -0.02 0.00 0.00 35.03 34.08 2yro n LYS 123 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 2yro s HIS 124 N -1.94 1.14 -0.08 2.13 3.76 -1.23 -4.42 115.29 114.65 2yro s HIS 124 Ca 0.59 1.45 -0.16 0.00 -0.15 0.00 0.00 55.06 56.79 2yro s HIS 124 Cb -0.38 -3.65 -0.29 0.00 1.11 0.00 0.00 32.58 29.37 2yro s HIS 124 CO 0.64 -2.54 0.66 -0.09 -0.85 0.00 0.00 174.74 172.56 2yro h ARG 125 N 18.94 0.29 -4.97 1.40 9.65 -1.85 -3.43 114.38 134.40 2yro h ARG 125 Ca -0.25 -0.50 -0.68 0.00 -1.10 0.00 0.00 59.98 57.45 2yro h ARG 125 Cb 1.25 0.19 -0.18 0.00 -1.39 0.00 0.00 29.97 29.84 2yro h ARG 125 CO 1.16 1.24 0.02 0.12 2.80 0.00 0.00 179.97 185.31 2yro s PHE 126 N -2.49 3.07 0.02 2.20 5.36 -1.26 -4.97 117.98 119.91 2yro s PHE 126 Ca -0.18 -0.49 -0.07 0.00 -0.96 0.00 0.00 56.93 55.24 2yro s PHE 126 Cb 0.04 -3.44 -0.03 0.00 -0.34 0.00 0.00 43.02 39.25 2yro s PHE 126 CO 0.80 -0.98 1.11 0.87 -1.46 0.00 0.00 175.22 175.57 2yro h LYS 127 N 8.95 -0.15 -5.69 10.12 6.56 -1.99 -3.37 116.57 131.00 2yro h LYS 127 Ca -0.27 0.01 -0.50 0.00 -1.06 0.00 0.00 60.65 58.83 2yro h LYS 127 Cb 1.10 0.03 0.00 0.00 -0.57 0.00 0.00 32.23 32.79 2yro h LYS 127 CO 0.94 -0.10 1.60 -1.91 -2.06 0.00 0.00 179.45 177.92 2yro n GLU 128 N -3.07 1.23 0.00 3.15 4.07 -1.26 -4.77 120.64 119.99 2yro n GLU 128 Ca -0.02 0.14 -0.03 0.00 -0.06 0.00 0.00 57.16 57.18 2yro n GLU 128 Cb 0.09 -3.29 -0.11 0.00 -0.06 0.00 0.00 31.44 28.06 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 14.51 0.78 -1.10 4.31 4.77 -1.26 -3.96 117.00 135.04 2yro n LEU 129 Ca 0.37 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.68 2yro n LEU 129 Cb 0.49 0.14 0.09 0.00 -2.33 0.00 0.00 43.42 41.81 2yro n LEU 129 CO 0.71 0.25 0.56 -1.20 -1.33 0.00 0.00 177.39 176.38 2yro n SER 130 N -2.91 2.73 -0.04 -1.43 7.64 -1.24 -3.54 113.62 114.82 2yro n SER 130 Ca -0.14 -2.35 -0.06 0.00 1.01 0.00 0.00 58.87 57.34 2yro n SER 130 Cb 0.93 -0.57 -0.05 0.00 -1.01 0.00 0.00 64.21 63.51 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 0.11 3.23 -4.53 6.43 3.41 -1.25 -4.84 113.62 116.18 2yro n SER 131 Ca 0.12 -0.03 -0.33 0.00 -0.26 0.00 0.00 58.87 58.37 2yro n SER 131 Cb 0.66 0.12 -0.08 0.00 -0.26 0.00 0.00 64.21 64.65 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 -2.61 -0.05 -1.72 -1.33 5.41 -1.24 -4.36 119.36 113.47 2yro n ILE 132 Ca -0.15 -0.52 0.06 0.00 1.00 0.00 0.00 62.75 63.13 2yro n ILE 132 Cb 0.70 -1.87 0.16 0.00 -0.71 0.00 0.00 39.64 37.93 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 14.14 1.60 -3.82 4.38 9.92 -1.26 -2.38 116.55 139.14 2yro n ASP 133 Ca 0.49 -3.44 -0.12 0.00 -0.53 0.00 0.00 54.79 51.19 2yro n ASP 133 Cb 0.36 -0.47 -0.09 0.00 -0.64 0.00 0.00 41.12 40.28 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 -2.55 0.08 -0.23 -3.53 2.01 -1.22 -3.14 115.64 107.07 2yro s THR 134 Ca 0.36 -0.70 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 2yro s THR 134 Cb 0.36 -0.68 0.10 0.00 0.01 0.00 0.00 72.50 72.28 2yro s THR 134 CO -0.08 -0.39 0.21 -0.22 -0.69 0.00 0.00 174.62 173.46 2yro s LEU 135 N -1.66 0.01 -0.24 4.42 2.96 -0.28 -4.03 118.68 119.87 2yro s LEU 135 Ca -0.11 -0.52 -0.06 0.00 -0.22 0.00 0.00 54.13 53.23 2yro s LEU 135 Cb -0.04 0.23 -0.02 0.00 0.50 0.00 0.00 46.19 46.86 2yro s LEU 135 CO 0.00 -0.36 0.01 -1.61 -1.32 0.00 0.00 176.35 173.08 2yro s GLU 136 N 2.28 3.50 -0.06 1.98 2.02 -0.87 -2.69 118.70 124.87 2yro s GLU 136 Ca 0.07 -0.56 0.05 0.00 0.02 0.00 0.00 54.97 54.55 2yro s GLU 136 Cb -0.15 -3.17 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2yro s GLU 136 CO -0.19 -0.20 -0.23 0.42 0.02 0.00 0.00 175.26 175.08 2yro s ILE 137 N 1.54 1.87 -0.13 -1.63 1.01 -0.00 -1.00 121.20 122.86 2yro s ILE 137 Ca 0.06 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.64 2yro s ILE 137 Cb -0.15 -1.59 0.04 0.00 0.01 0.00 0.00 42.46 40.77 2yro s ILE 137 CO 0.00 0.52 0.34 0.21 0.00 0.00 0.00 174.94 176.01 2yro s ASN 138 N -0.06 -0.36 0.00 3.58 3.84 -0.85 -0.77 114.94 120.33 2yro s ASN 138 Ca -0.05 0.69 0.00 0.00 0.21 0.00 0.00 52.86 53.71 2yro s ASN 138 Cb -0.13 0.69 0.00 0.00 -0.55 0.00 0.00 41.25 41.26 2yro s ASN 138 CO 0.04 -0.12 0.00 0.61 -2.79 0.00 0.00 177.10 174.83 2yro n GLY 139 N 3.02 -1.56 2.15 1.21 0.00 -1.26 -1.40 105.19 107.34 2yro n GLY 139 Ca -0.14 -1.14 -0.27 0.00 0.00 0.00 0.00 46.02 44.46 2yro n GLY 139 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2yro n ASP 140 N 2.22 7.10 -4.53 1.61 5.68 -1.16 -4.93 116.55 122.53 2yro n ASP 140 Ca 0.00 -3.50 -0.25 0.00 -0.50 0.00 0.00 54.79 50.54 2yro n ASP 140 Cb 0.00 -1.00 -0.11 0.00 -1.14 0.00 0.00 41.12 38.87 2yro n ASP 140 CO 0.00 0.00 0.00 0.27 -1.33 0.00 0.00 177.20 176.14 2yro s ILE 141 N -3.79 2.13 -0.33 2.12 -5.25 -1.26 -3.60 121.20 111.22 2yro s ILE 141 Ca 0.51 -2.18 -0.13 0.00 -0.99 0.00 0.00 60.65 57.86 2yro s ILE 141 Cb 0.40 -2.64 -0.02 0.00 2.95 0.00 0.00 42.46 43.15 2yro s ILE 141 CO -0.00 -0.20 0.25 -2.28 -1.79 0.00 0.00 174.94 170.91 2yro s HIS 142 N -2.68 3.23 -0.39 1.37 5.65 0.87 -4.95 115.29 118.38 2yro s HIS 142 Ca 0.32 -0.16 -0.23 0.00 0.25 0.00 0.00 55.06 55.24 2yro s HIS 142 Cb 0.03 -2.48 0.01 0.00 -1.18 0.00 0.00 32.58 28.96 2yro s HIS 142 CO 0.16 -0.35 0.80 -1.17 -0.65 0.00 0.00 174.74 173.53 2yro s LEU 143 N 1.75 4.14 -0.11 8.88 2.96 -1.26 -0.71 118.68 134.33 2yro s LEU 143 Ca 0.07 0.26 -0.07 0.00 -0.22 0.00 0.00 54.13 54.17 2yro s LEU 143 Cb -0.17 -3.03 -0.06 0.00 0.50 0.00 0.00 46.19 43.43 2yro s LEU 143 CO 0.11 -0.79 0.15 -0.07 -1.32 0.00 0.00 176.35 174.42 2yro h LEU 144 N 9.88 0.00 -7.12 -0.68 3.38 -1.62 -2.74 115.31 116.40 2yro h LEU 144 Ca -0.25 -0.21 0.28 0.00 0.09 0.00 0.00 57.88 57.79 2yro h LEU 144 Cb 1.09 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.69 2yro h LEU 144 CO 0.93 0.64 0.80 -0.70 0.09 0.00 0.00 178.44 180.20 2yro s GLU 145 N -1.75 0.39 -0.03 1.13 2.12 -1.13 -3.47 118.70 115.96 2yro s GLU 145 Ca -0.05 -0.18 0.01 0.00 0.36 0.00 0.00 54.97 55.10 2yro s GLU 145 Cb -0.00 0.16 0.01 0.00 0.26 0.00 0.00 34.13 34.56 2yro s GLU 145 CO 0.17 -0.18 -0.04 0.08 -0.54 0.00 0.00 175.26 174.75 2yro s VAL 146 N -2.47 0.45 0.25 3.70 1.01 -1.26 -2.45 120.40 119.63 2yro s VAL 146 Ca 0.11 -0.13 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2yro s VAL 146 Cb 0.02 -0.46 -0.05 0.00 0.00 0.00 0.00 36.38 35.88 2yro s VAL 146 CO -0.04 0.18 0.07 0.00 0.00 0.00 0.00 175.10 175.31 2yro s ARG 147 N 0.60 1.39 -0.17 2.72 1.70 -1.20 -5.03 118.95 118.96 2yro s ARG 147 Ca -0.07 -1.74 -0.07 0.00 -0.47 0.00 0.00 55.73 53.38 2yro s ARG 147 Cb -0.11 -0.35 0.08 0.00 -0.57 0.00 0.00 34.95 34.00 2yro s ARG 147 CO -0.00 -0.25 0.36 0.45 -1.08 0.00 0.00 175.30 174.78 2yro s SER 148 N -3.31 -0.12 0.13 -2.89 0.15 -1.26 -2.15 113.70 104.26 2yro s SER 148 Ca 0.35 0.84 0.06 0.00 0.70 0.00 0.00 55.95 57.90 2yro s SER 148 Cb 0.08 1.03 -0.04 0.00 -1.71 0.00 0.00 66.02 65.38 2yro s SER 148 CO 0.12 -0.23 -0.14 -1.66 1.20 0.00 0.00 173.24 172.54 2yro s TRP 149 N 2.31 1.42 -1.00 3.44 -2.14 -1.08 -4.94 118.94 116.96 2yro s TRP 149 Ca -0.02 -0.57 -0.20 0.00 2.66 0.00 0.00 56.10 57.97 2yro s TRP 149 Cb -0.11 -0.73 0.11 0.00 -3.10 0.00 0.00 33.47 29.63 2yro s TRP 149 CO -0.11 0.16 1.28 -1.54 -2.66 0.00 0.00 176.95 174.08 2yro s SER 150 N -2.55 6.63 0.61 -2.66 1.04 -1.26 -2.23 113.70 113.29 2yro s SER 150 Ca 0.10 -1.95 0.00 0.00 0.48 0.00 0.00 55.95 54.58 2yro s SER 150 Cb -0.04 -2.46 0.00 0.00 0.10 0.00 0.00 66.02 63.62 2yro s SER 150 CO 0.03 -1.19 0.00 0.61 0.98 0.00 0.00 173.24 173.68 2yro n GLY 151 N 5.83 -3.33 0.18 7.32 0.00 -1.24 -4.55 105.19 109.38 2yro n GLY 151 Ca 0.29 -1.05 -0.01 0.00 0.00 0.00 0.00 46.02 45.25 2yro n GLY 151 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2yro h PRO 152 N -1.42 0.12 -6.73 1.61 0.13 -1.96 -3.45 132.00 120.29 2yro h PRO 152 Ca -0.19 -0.06 -0.44 0.00 -0.87 0.00 0.00 66.00 64.44 2yro h PRO 152 Cb 1.38 0.00 0.04 0.00 0.13 0.00 0.00 31.00 32.56 2yro h PRO 152 CO 0.07 0.58 -0.09 -1.54 -0.23 0.00 0.00 178.00 176.79 2yro s SER 153 N -6.89 5.31 -0.13 1.44 1.04 -1.26 -5.11 113.70 108.11 2yro s SER 153 Ca -0.03 -0.19 0.01 0.00 0.48 0.00 0.00 55.95 56.22 2yro s SER 153 Cb 0.13 -0.70 0.02 0.00 0.10 0.00 0.00 66.02 65.57 2yro s SER 153 CO 0.76 -1.09 -0.15 -0.44 0.98 0.00 0.00 173.24 173.30 2yro s SER 154 N -4.44 2.57 0.00 7.02 0.01 -1.26 -4.94 113.70 112.66 2yro s SER 154 Ca 0.57 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 57.38 2yro s SER 154 Cb -0.10 -1.14 0.00 0.00 0.21 0.00 0.00 66.02 64.99 2yro s SER 154 CO 0.37 -0.01 0.00 0.61 0.41 0.00 0.00 173.24 174.62