#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1who n PRO 2 N 0.00 2.14 0.04 7.34 -0.04 -1.26 -4.94 135.00 138.27 1who n PRO 2 Ca 0.00 0.75 -0.07 0.00 -0.04 0.00 0.00 63.50 64.14 1who n PRO 2 Cb 0.00 -2.42 -0.12 0.00 -0.04 0.00 0.00 33.50 30.92 1who n PRO 2 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1who h LYS 3 N 2.41 0.00 -4.89 0.54 3.64 -1.99 -3.45 116.57 112.83 1who h LYS 3 Ca -0.48 0.00 -0.59 0.00 -1.27 0.00 0.00 60.65 58.31 1who h LYS 3 Cb 1.28 0.00 -0.33 0.00 -0.41 0.00 0.00 32.23 32.77 1who h LYS 3 CO 0.62 0.82 -0.84 0.08 -2.27 0.00 0.00 179.45 177.85 1who s VAL 4 N -2.68 1.55 0.07 2.00 1.01 -1.26 -0.59 120.40 120.50 1who s VAL 4 Ca -0.01 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.29 1who s VAL 4 Cb 0.09 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.07 1who s VAL 4 CO 0.82 0.45 -0.10 0.42 0.00 0.00 0.00 175.10 176.68 1who s THR 5 N 0.57 0.85 -0.22 3.92 -4.23 -0.15 -4.33 115.64 112.05 1who s THR 5 Ca -0.15 -1.35 0.00 0.00 -1.18 0.00 0.00 61.69 59.01 1who s THR 5 Cb -0.17 -1.01 0.06 0.00 1.34 0.00 0.00 72.50 72.72 1who s THR 5 CO 0.05 -0.40 -0.05 -0.36 -0.54 0.00 0.00 174.62 173.32 1who s PHE 6 N -1.73 2.27 -0.24 3.99 0.40 0.11 -1.59 117.98 121.20 1who s PHE 6 Ca -0.02 -1.64 -0.06 0.00 -0.60 0.00 0.00 56.93 54.61 1who s PHE 6 Cb -0.07 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.90 1who s PHE 6 CO 0.01 -0.75 0.03 0.99 0.70 0.00 0.00 175.22 176.20 1who s THR 7 N 1.44 4.01 0.06 0.64 2.01 -0.29 0.21 115.64 123.71 1who s THR 7 Ca -0.05 -0.27 -0.30 0.00 0.31 0.00 0.00 61.69 61.38 1who s THR 7 Cb -0.18 -2.86 -0.05 0.00 0.01 0.00 0.00 72.50 69.42 1who s THR 7 CO -0.07 0.37 1.11 -0.69 -0.69 0.00 0.00 174.62 174.66 1who s VAL 8 N 1.54 4.29 0.17 3.82 1.01 -1.05 -0.83 120.40 129.35 1who s VAL 8 Ca 0.06 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.73 1who s VAL 8 Cb -0.15 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 32.12 1who s VAL 8 CO 0.01 0.15 0.33 -1.61 0.00 0.00 0.00 175.10 173.99 1who s GLU 9 N 0.85 3.47 0.26 2.72 8.01 -0.59 -0.70 118.70 132.72 1who s GLU 9 Ca 0.55 -0.49 -0.31 0.00 0.01 0.00 0.00 54.97 54.73 1who s GLU 9 Cb -0.27 -2.91 -0.12 0.00 -4.31 0.00 0.00 34.13 26.52 1who s GLU 9 CO 0.29 0.47 1.61 1.17 0.01 0.00 0.00 175.26 178.82 1who n LYS 10 N -0.60 2.63 0.00 1.61 4.81 -1.26 -2.12 118.16 123.22 1who n LYS 10 Ca -0.06 0.94 0.00 0.00 -0.87 0.00 0.00 58.31 58.32 1who n LYS 10 Cb 0.54 -2.73 0.00 0.00 0.02 0.00 0.00 35.03 32.86 1who n LYS 10 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1who n GLY 11 N 2.74 2.18 3.73 3.14 0.00 -1.26 -4.97 105.19 110.75 1who n GLY 11 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1who n GLY 11 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1who s SER 12 N -1.68 6.81 0.01 1.61 0.01 -0.90 -4.81 113.70 114.76 1who s SER 12 Ca 0.00 2.46 -0.00 0.00 1.31 0.00 0.00 55.95 59.71 1who s SER 12 Cb 0.00 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.62 1who s SER 12 CO 0.00 -0.60 0.01 -0.46 0.41 0.00 0.00 173.24 172.60 1who n ASN 13 N 2.88 -0.04 0.08 2.44 0.23 0.14 -4.98 115.26 116.01 1who n ASN 13 Ca 0.08 -1.04 0.20 0.00 -0.53 0.00 0.00 54.58 53.29 1who n ASN 13 Cb 0.42 0.07 0.74 0.00 -2.08 0.00 0.00 39.78 38.94 1who n ASN 13 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 1who h GLU 14 N 0.00 0.00 -0.01 -3.83 5.08 -1.93 -2.44 114.58 111.45 1who h GLU 14 Ca -0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1who h GLU 14 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1who h GLU 14 CO 0.01 0.00 0.00 1.63 -1.00 0.00 0.00 179.01 179.65 1who n LYS 15 N -3.98 -0.14 -3.68 2.33 4.76 -1.26 0.22 118.16 116.41 1who n LYS 15 Ca 0.07 -0.86 -0.18 0.00 -2.87 0.00 0.00 58.31 54.47 1who n LYS 15 Cb 0.55 -1.11 -0.16 0.00 -1.84 0.00 0.00 35.03 32.47 1who n LYS 15 CO 0.00 0.00 0.00 -1.58 -1.37 0.00 0.00 177.40 174.45 1who s HIS 16 N -0.49 -0.08 -0.13 2.13 2.46 -0.92 -1.30 115.29 116.97 1who s HIS 16 Ca 0.07 0.45 0.03 0.00 0.47 0.00 0.00 55.06 56.08 1who s HIS 16 Cb 0.05 -0.33 0.00 0.00 -0.13 0.00 0.00 32.58 32.17 1who s HIS 16 CO 0.07 -0.23 -0.22 -1.17 -2.47 0.00 0.00 174.74 170.73 1who s LEU 17 N 2.13 2.16 -0.12 8.88 2.96 -0.32 0.26 118.68 134.63 1who s LEU 17 Ca 0.03 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.40 1who s LEU 17 Cb -0.12 -1.45 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1who s LEU 17 CO -0.05 0.11 -0.20 0.00 -1.32 0.00 0.00 176.35 174.89 1who s ALA 18 N 0.64 2.02 -0.04 5.97 0.00 -1.26 -1.25 121.76 127.84 1who s ALA 18 Ca -0.11 -0.92 0.02 0.00 0.00 0.00 0.00 51.96 50.95 1who s ALA 18 Cb -0.16 -0.87 0.01 0.00 0.00 0.00 0.00 23.12 22.10 1who s ALA 18 CO 0.02 0.06 -0.09 0.08 0.00 0.00 0.00 175.76 175.83 1who s VAL 19 N 0.71 0.82 -0.37 0.00 1.01 0.42 -1.54 120.40 121.46 1who s VAL 19 Ca -0.11 -0.33 -0.20 0.00 0.00 0.00 0.00 61.98 61.34 1who s VAL 19 Cb -0.16 -0.76 0.00 0.00 0.00 0.00 0.00 36.38 35.46 1who s VAL 19 CO 0.02 0.27 0.62 -0.22 0.00 0.00 0.00 175.10 175.79 1who s LEU 20 N 0.53 4.30 -0.09 3.92 0.20 -0.01 -0.91 118.68 126.61 1who s LEU 20 Ca -0.09 0.05 -0.04 0.00 0.69 0.00 0.00 54.13 54.75 1who s LEU 20 Cb -0.12 -2.75 -0.04 0.00 -0.43 0.00 0.00 46.19 42.85 1who s LEU 20 CO 0.01 -0.61 0.06 -0.69 -0.29 0.00 0.00 176.35 174.83 1who s VAL 21 N 2.69 4.78 -0.04 1.68 1.01 -1.02 -1.14 120.40 128.36 1who s VAL 21 Ca 0.23 -0.09 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 1who s VAL 21 Cb -0.15 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.21 1who s VAL 21 CO 0.15 0.59 0.09 -0.54 0.00 0.00 0.00 175.10 175.39 1who s LYS 22 N -1.00 0.04 -0.21 2.72 1.02 -0.62 -4.85 119.74 116.84 1who s LYS 22 Ca 0.15 0.26 0.01 0.00 0.02 0.00 0.00 55.97 56.40 1who s LYS 22 Cb -0.12 -0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.07 1who s LYS 22 CO 0.04 -0.14 -0.09 -0.47 -0.92 0.00 0.00 175.35 173.76 1who s TYR 23 N 0.96 2.49 0.21 3.18 6.14 -1.26 -0.97 117.35 128.10 1who s TYR 23 Ca -0.08 -1.70 -0.32 0.00 0.64 0.00 0.00 57.07 55.61 1who s TYR 23 Cb -0.10 -1.65 -0.13 0.00 0.42 0.00 0.00 41.96 40.50 1who s TYR 23 CO -0.04 -0.76 1.61 0.39 0.64 0.00 0.00 175.55 177.38 1who n GLU 24 N 4.66 2.44 -1.00 4.97 -0.58 0.25 -2.19 120.64 129.18 1who n GLU 24 Ca -0.14 0.88 0.00 0.00 -0.42 0.00 0.00 57.16 57.48 1who n GLU 24 Cb 0.46 -2.66 0.00 0.00 -0.57 0.00 0.00 31.44 28.67 1who n GLU 24 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1who n GLY 25 N 3.22 0.46 3.54 0.62 0.00 -1.26 -5.00 105.19 106.78 1who n GLY 25 Ca 0.15 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.04 1who n GLY 25 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1who s ASP 26 N -2.01 0.48 0.02 1.61 -1.08 -0.93 -5.04 116.67 109.73 1who s ASP 26 Ca 0.00 -1.28 0.02 0.00 -0.52 0.00 0.00 52.55 50.78 1who s ASP 26 Cb 0.00 0.65 -0.02 0.00 -1.46 0.00 0.00 42.92 42.10 1who s ASP 26 CO 0.00 -1.28 -0.08 0.42 0.52 0.00 0.00 175.17 174.76 1who s THR 27 N -3.30 0.56 0.10 1.71 -4.23 -1.26 -4.49 115.64 104.73 1who s THR 27 Ca 0.27 -0.75 -0.31 0.00 -1.18 0.00 0.00 61.69 59.72 1who s THR 27 Cb -0.01 -0.56 -0.07 0.00 1.34 0.00 0.00 72.50 73.20 1who s THR 27 CO 0.16 -0.15 1.27 -0.04 -0.54 0.00 0.00 174.62 175.32 1who s MET 28 N -0.98 4.40 -0.18 3.99 -1.94 -1.26 -0.28 119.30 123.05 1who s MET 28 Ca -0.04 1.90 -0.09 0.00 -1.71 0.00 0.00 55.69 55.74 1who s MET 28 Cb -0.07 -3.29 -0.21 0.00 2.01 0.00 0.00 34.83 33.27 1who s MET 28 CO 0.00 -0.30 0.15 0.00 -0.01 0.00 0.00 175.02 174.86 1who n ALA 29 N 3.71 0.99 -3.35 3.03 0.00 0.28 -4.72 120.51 120.46 1who n ALA 29 Ca 0.09 -0.71 -0.13 0.00 0.00 0.00 0.00 53.44 52.70 1who n ALA 29 Cb 0.45 -0.47 -0.11 0.00 0.00 0.00 0.00 19.45 19.32 1who n ALA 29 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 1who s GLU 30 N -2.50 0.41 -0.09 0.00 2.56 -0.58 -4.99 118.70 113.52 1who s GLU 30 Ca -0.28 0.55 0.01 0.00 0.00 0.00 0.00 54.97 55.26 1who s GLU 30 Cb 0.08 0.16 0.02 0.00 2.00 0.00 0.00 34.13 36.38 1who s GLU 30 CO 0.67 -0.07 -0.11 0.08 -0.56 0.00 0.00 175.26 175.27 1who s VAL 31 N 0.43 1.13 0.14 3.70 1.01 -1.26 -0.51 120.40 125.03 1who s VAL 31 Ca -0.02 -0.42 0.09 0.00 0.00 0.00 0.00 61.98 61.63 1who s VAL 31 Cb -0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.23 1who s VAL 31 CO -0.02 0.37 -0.18 -1.61 0.00 0.00 0.00 175.10 173.66 1who s GLU 32 N 1.10 1.78 0.02 2.72 2.02 0.14 -0.85 118.70 125.62 1who s GLU 32 Ca -0.06 -1.24 0.09 0.00 0.02 0.00 0.00 54.97 53.78 1who s GLU 32 Cb -0.14 -2.08 -0.03 0.00 0.10 0.00 0.00 34.13 31.98 1who s GLU 32 CO -0.02 0.46 -0.26 -1.17 0.02 0.00 0.00 175.26 174.30 1who s LEU 33 N -2.30 2.14 -0.20 1.80 1.98 0.29 -1.08 118.68 121.30 1who s LEU 33 Ca 0.19 -0.55 -0.02 0.00 -2.89 0.00 0.00 54.13 50.87 1who s LEU 33 Cb -0.10 -1.31 0.06 0.00 0.66 0.00 0.00 46.19 45.50 1who s LEU 33 CO 0.11 0.28 0.00 -0.60 -1.89 0.00 0.00 176.35 174.25 1who s ARG 34 N -1.04 0.97 0.72 1.98 3.52 -0.45 -1.25 118.95 123.40 1who s ARG 34 Ca 0.11 -0.55 -0.11 0.00 -0.13 0.00 0.00 55.73 55.05 1who s ARG 34 Cb -0.10 -2.17 0.02 0.00 -1.56 0.00 0.00 34.95 31.14 1who s ARG 34 CO 0.01 -0.60 1.09 -1.83 -0.81 0.00 0.00 175.30 173.17 1who s GLU 35 N 1.73 2.75 0.18 5.12 -1.05 -1.26 -1.92 118.70 124.25 1who s GLU 35 Ca -0.02 0.55 -0.32 0.00 -0.15 0.00 0.00 54.97 55.03 1who s GLU 35 Cb -0.17 -2.00 -0.12 0.00 -0.44 0.00 0.00 34.13 31.40 1who s GLU 35 CO -0.07 -1.13 1.72 1.58 0.95 0.00 0.00 175.26 178.31 1who n HIS 36 N -3.08 2.63 -0.46 4.83 -0.00 -0.38 -1.80 115.22 116.96 1who n HIS 36 Ca 0.07 0.04 0.00 0.00 -0.00 0.00 0.00 57.72 57.83 1who n HIS 36 Cb 0.57 -2.66 0.00 0.00 -0.00 0.00 0.00 29.99 27.89 1who n HIS 36 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1who n GLY 37 N 3.93 0.75 3.60 1.57 0.00 -1.26 -4.84 105.19 108.94 1who n GLY 37 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1who n GLY 37 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1who s SER 38 N -2.57 4.57 0.00 1.61 0.15 -0.75 -5.01 113.70 111.70 1who s SER 38 Ca 0.00 -0.26 0.15 0.00 0.70 0.00 0.00 55.95 56.54 1who s SER 38 Cb 0.00 -0.98 0.33 0.00 -1.71 0.00 0.00 66.02 63.66 1who s SER 38 CO 0.00 0.22 1.24 0.47 1.20 0.00 0.00 173.24 176.37 1who n ASP 39 N 1.05 2.98 -4.45 5.45 8.00 -1.26 -4.79 116.55 123.52 1who n ASP 39 Ca -0.14 -1.89 -0.33 0.00 0.71 0.00 0.00 54.79 53.14 1who n ASP 39 Cb 0.52 -0.22 -0.13 0.00 -0.02 0.00 0.00 41.12 41.26 1who n ASP 39 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1who s GLU 40 N -1.08 2.52 -0.47 -1.24 2.02 -1.26 -5.09 118.70 114.10 1who s GLU 40 Ca 0.28 -0.72 -0.20 0.00 0.02 0.00 0.00 54.97 54.35 1who s GLU 40 Cb 0.15 -2.36 0.04 0.00 0.10 0.00 0.00 34.13 32.06 1who s GLU 40 CO 0.21 0.59 0.62 -1.58 0.02 0.00 0.00 175.26 175.12 1who s TRP 41 N -0.65 3.06 -0.17 1.61 0.52 -1.26 -4.42 118.94 117.63 1who s TRP 41 Ca 0.10 -0.31 -0.08 0.00 0.02 0.00 0.00 56.10 55.82 1who s TRP 41 Cb -0.11 -3.40 -0.04 0.00 -1.15 0.00 0.00 33.47 28.77 1who s TRP 41 CO 0.01 -0.94 0.10 0.08 0.02 0.00 0.00 176.95 176.22 1who s VAL 42 N 2.69 5.13 0.28 4.03 1.01 -0.38 -4.85 120.40 128.31 1who s VAL 42 Ca 0.18 0.08 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1who s VAL 42 Cb -0.17 -3.30 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 1who s VAL 42 CO 0.15 0.50 1.44 0.00 0.00 0.00 0.00 175.10 177.18 1who s ALA 43 N -0.00 3.61 0.54 5.51 0.00 -1.26 -0.55 121.76 129.60 1who s ALA 43 Ca 0.08 1.37 -0.03 0.00 0.00 0.00 0.00 51.96 53.38 1who s ALA 43 Cb -0.12 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.46 1who s ALA 43 CO 0.00 -0.78 0.80 -1.64 0.00 0.00 0.00 175.76 174.14 1who s MET 44 N -0.85 2.88 -0.18 0.00 -1.94 -0.03 -4.87 119.30 114.31 1who s MET 44 Ca 0.57 -0.31 -0.09 0.00 -1.71 0.00 0.00 55.69 54.15 1who s MET 44 Cb -0.43 -2.40 -0.05 0.00 2.01 0.00 0.00 34.83 33.96 1who s MET 44 CO 0.48 -0.57 0.12 0.99 -0.01 0.00 0.00 175.02 176.02 1who s THR 45 N -2.81 5.28 -0.13 2.05 2.01 0.19 -4.81 115.64 117.42 1who s THR 45 Ca 0.53 0.14 -0.29 0.00 0.31 0.00 0.00 61.69 62.37 1who s THR 45 Cb -0.10 -3.39 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 1who s THR 45 CO 0.41 0.47 1.31 -0.75 -0.69 0.00 0.00 174.62 175.38 1who s LYS 46 N 0.15 4.24 0.00 4.92 2.20 -1.26 -0.94 119.74 129.05 1who s LYS 46 Ca 0.08 1.74 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 1who s LYS 46 Cb -0.11 -3.76 0.00 0.00 -1.51 0.00 0.00 37.83 32.45 1who s LYS 46 CO -0.01 -0.69 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1who n GLY 47 N 3.65 1.82 3.89 5.54 0.00 0.87 -4.96 105.19 116.00 1who n GLY 47 Ca 0.14 -2.03 -0.32 0.00 0.00 0.00 0.00 46.02 43.81 1who n GLY 47 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1who s GLU 48 N 2.64 3.65 -1.55 1.61 0.41 -1.26 -4.49 118.70 119.71 1who s GLU 48 Ca 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 54.97 54.53 1who s GLU 48 Cb 0.00 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.47 1who s GLU 48 CO 0.00 0.49 0.06 0.41 -0.49 0.00 0.00 175.26 175.72 1who n GLY 49 N 0.27 -0.39 1.40 -1.39 0.00 -1.26 -2.98 105.19 100.85 1who n GLY 49 Ca -0.04 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1who n GLY 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1who n GLY 50 N -1.06 0.76 3.78 -0.02 0.00 -1.26 -4.98 105.19 102.41 1who n GLY 50 Ca -0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 1who n GLY 50 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1who s VAL 51 N -2.91 4.63 -0.04 1.61 1.01 -1.16 -2.42 120.40 121.11 1who s VAL 51 Ca 0.00 1.48 0.05 0.00 0.00 0.00 0.00 61.98 63.52 1who s VAL 51 Cb 0.00 -4.04 -0.01 0.00 0.00 0.00 0.00 36.38 32.34 1who s VAL 51 CO 0.00 0.49 -0.21 0.26 0.00 0.00 0.00 175.10 175.63 1who s TRP 52 N -0.77 2.03 0.22 5.22 0.52 -0.09 -0.09 118.94 125.98 1who s TRP 52 Ca 0.34 -0.55 0.07 0.00 0.02 0.00 0.00 56.10 55.98 1who s TRP 52 Cb -0.21 -1.34 -0.05 0.00 -1.15 0.00 0.00 33.47 30.72 1who s TRP 52 CO 0.22 -0.16 -0.12 0.95 0.02 0.00 0.00 176.95 177.87 1who s THR 53 N -0.15 1.69 -0.11 2.01 -4.23 -0.11 -0.43 115.64 114.31 1who s THR 53 Ca -0.01 -2.19 -0.05 0.00 -1.18 0.00 0.00 61.69 58.27 1who s THR 53 Cb -0.12 -2.15 0.05 0.00 1.34 0.00 0.00 72.50 71.62 1who s THR 53 CO 0.02 -0.52 0.23 0.12 -0.54 0.00 0.00 174.62 173.93 1who s PHE 54 N -3.00 -0.32 -0.15 3.99 5.36 -0.38 -0.64 117.98 122.83 1who s PHE 54 Ca 0.24 0.79 -0.02 0.00 -0.96 0.00 0.00 56.93 56.99 1who s PHE 54 Cb 0.01 -0.04 -0.02 0.00 -0.34 0.00 0.00 43.02 42.63 1who s PHE 54 CO 0.08 -0.27 -0.09 -0.51 -1.46 0.00 0.00 175.22 172.97 1who s ASP 55 N 1.81 4.31 0.14 6.13 1.01 -1.26 -1.18 116.67 127.62 1who s ASP 55 Ca -0.04 -0.28 0.08 0.00 0.71 0.00 0.00 52.55 53.03 1who s ASP 55 Cb -0.11 -1.69 -0.04 0.00 1.01 0.00 0.00 42.92 42.09 1who s ASP 55 CO -0.08 0.14 -0.18 -0.55 0.21 0.00 0.00 175.17 174.71 1who s SER 56 N 0.54 2.50 0.15 0.27 0.15 -0.42 -5.03 113.70 111.86 1who s SER 56 Ca -0.06 -0.81 0.16 0.00 0.70 0.00 0.00 55.95 55.94 1who s SER 56 Cb -0.15 -0.13 -0.06 0.00 -1.71 0.00 0.00 66.02 63.96 1who s SER 56 CO 0.03 -0.03 1.07 -0.08 1.20 0.00 0.00 173.24 175.43 1who h GLU 57 N 3.51 0.00 -6.20 5.44 4.57 -1.97 -3.45 114.58 116.48 1who h GLU 57 Ca -0.43 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.26 1who h GLU 57 Cb 1.20 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.75 1who h GLU 57 CO 0.48 0.38 -0.43 -1.21 -1.18 0.00 0.00 179.01 177.05 1who s GLU 58 N -2.94 2.72 0.48 1.92 2.02 -1.26 -5.06 118.70 116.57 1who s GLU 58 Ca -0.00 -1.31 -0.24 0.00 0.02 0.00 0.00 54.97 53.44 1who s GLU 58 Cb 0.08 -2.49 -0.07 0.00 0.10 0.00 0.00 34.13 31.76 1who s GLU 58 CO 0.79 0.05 1.35 -2.14 0.02 0.00 0.00 175.26 175.32 1who s PRO 59 N -4.03 3.56 -0.07 0.39 0.02 -1.26 -4.70 135.00 128.92 1who s PRO 59 Ca 0.42 2.22 -0.18 0.00 0.02 0.00 0.00 61.00 63.48 1who s PRO 59 Cb -0.06 -2.51 -0.05 0.00 0.02 0.00 0.00 34.50 31.91 1who s PRO 59 CO 0.27 -0.85 0.50 -0.51 -0.33 0.00 0.00 177.00 176.08 1who s LEU 60 N -2.98 4.35 -0.22 -5.54 1.43 0.13 -5.00 118.68 110.85 1who s LEU 60 Ca 0.64 0.94 -0.03 0.00 -1.03 0.00 0.00 54.13 54.65 1who s LEU 60 Cb -0.40 -2.74 0.00 0.00 0.03 0.00 0.00 46.19 43.09 1who s LEU 60 CO 0.49 0.09 -0.07 -1.10 0.23 0.00 0.00 176.35 175.99 1who s GLN 61 N 0.09 3.21 0.70 1.70 -1.52 -1.26 -4.92 119.66 117.66 1who s GLN 61 Ca 0.27 -0.72 0.00 0.00 -1.95 0.00 0.00 55.36 52.96 1who s GLN 61 Cb -0.16 -2.95 0.12 0.00 -0.22 0.00 0.00 33.01 29.80 1who s GLN 61 CO 0.13 -0.24 0.96 0.20 -0.25 0.00 0.00 175.29 176.09 1who s GLY 62 N 1.42 1.76 0.74 3.09 0.00 -1.26 -1.24 107.32 111.83 1who s GLY 62 Ca 0.05 -1.75 -0.14 0.00 0.00 0.00 0.00 44.72 42.87 1who s GLY 62 CO -0.05 -1.21 1.17 2.56 0.00 0.00 0.00 173.10 175.57 1who s PRO 63 N -5.08 2.17 -0.05 2.90 0.04 -1.26 -4.61 135.00 129.11 1who s PRO 63 Ca 0.65 1.61 -0.04 0.00 0.04 0.00 0.00 61.00 63.26 1who s PRO 63 Cb -0.06 -1.85 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1who s PRO 63 CO 0.43 -1.78 0.13 -0.06 0.04 0.00 0.00 177.00 175.77 1who s PHE 64 N -2.21 3.48 -0.04 0.56 0.08 0.13 -2.73 117.98 117.24 1who s PHE 64 Ca 0.71 0.37 0.05 0.00 0.12 0.00 0.00 56.93 58.18 1who s PHE 64 Cb -0.25 -1.84 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1who s PHE 64 CO 0.47 0.65 -0.19 -0.80 -0.10 0.00 0.00 175.22 175.24 1who s ASN 65 N -1.50 3.65 0.04 1.36 0.01 -0.81 -1.83 114.94 115.85 1who s ASN 65 Ca 0.21 -0.30 0.07 0.00 -0.71 0.00 0.00 52.86 52.12 1who s ASN 65 Cb -0.12 -0.65 -0.02 0.00 0.41 0.00 0.00 41.25 40.87 1who s ASN 65 CO 0.11 0.34 -0.19 -0.36 -1.51 0.00 0.00 177.10 175.49 1who s PHE 66 N -0.69 1.69 -0.05 2.20 0.40 -0.48 -1.35 117.98 119.72 1who s PHE 66 Ca 0.11 -0.36 0.02 0.00 -0.60 0.00 0.00 56.93 56.09 1who s PHE 66 Cb -0.10 -1.02 0.01 0.00 0.51 0.00 0.00 43.02 42.42 1who s PHE 66 CO -0.00 0.07 -0.09 0.50 0.70 0.00 0.00 175.22 176.40 1who s ARG 67 N -1.09 1.27 0.16 0.44 3.52 -0.24 -0.72 118.95 122.28 1who s ARG 67 Ca 0.06 -0.29 -0.03 0.00 -0.13 0.00 0.00 55.73 55.34 1who s ARG 67 Cb -0.08 -1.12 -0.03 0.00 -1.56 0.00 0.00 34.95 32.15 1who s ARG 67 CO 0.01 0.01 0.13 -0.59 -0.81 0.00 0.00 175.30 174.05 1who s PHE 68 N 0.65 0.83 -0.05 5.12 -0.12 -0.29 0.24 117.98 124.36 1who s PHE 68 Ca -0.12 -1.17 0.02 0.00 -0.05 0.00 0.00 56.93 55.61 1who s PHE 68 Cb -0.14 -0.40 0.02 0.00 -0.63 0.00 0.00 43.02 41.87 1who s PHE 68 CO 0.02 -0.60 -0.08 -0.51 -0.05 0.00 0.00 175.22 174.00 1who s LEU 69 N -3.06 1.50 0.28 -1.99 1.02 0.34 -1.85 118.68 114.92 1who s LEU 69 Ca 0.26 -0.21 0.06 0.00 0.02 0.00 0.00 54.13 54.26 1who s LEU 69 Cb 0.06 -0.63 -0.02 0.00 0.02 0.00 0.00 46.19 45.62 1who s LEU 69 CO 0.04 -0.01 0.40 0.42 0.02 0.00 0.00 176.35 177.22 1who s THR 70 N 0.77 4.76 0.44 5.49 -4.23 0.48 0.10 115.64 123.45 1who s THR 70 Ca -0.13 -1.00 0.22 0.00 -1.18 0.00 0.00 61.69 59.60 1who s THR 70 Cb -0.15 -3.67 0.24 0.00 1.34 0.00 0.00 72.50 70.26 1who s THR 70 CO 0.02 -0.26 2.04 -0.33 -0.54 0.00 0.00 174.62 175.55 1who h GLU 71 N 1.06 0.00 -0.10 3.99 5.08 -0.93 -1.47 114.58 122.20 1who h GLU 71 Ca -0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.87 1who h GLU 71 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 1who h GLU 71 CO 0.58 0.15 0.00 1.63 -1.00 0.00 0.00 179.01 180.36 1who n LYS 72 N -3.95 1.61 0.00 2.33 5.02 -1.26 -4.92 118.16 116.98 1who n LYS 72 Ca -0.02 -0.91 0.00 0.00 -2.02 0.00 0.00 58.31 55.36 1who n LYS 72 Cb 0.24 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.83 1who n LYS 72 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1who n GLY 73 N 1.10 0.99 3.80 0.72 0.00 -0.55 -5.10 105.19 106.15 1who n GLY 73 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1who n GLY 73 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1who s MET 74 N -0.62 4.39 -0.06 1.61 -1.94 -1.26 -4.84 119.30 116.59 1who s MET 74 Ca 0.00 1.01 0.00 0.00 -1.71 0.00 0.00 55.69 54.99 1who s MET 74 Cb 0.00 -3.03 0.02 0.00 2.01 0.00 0.00 34.83 33.84 1who s MET 74 CO 0.00 0.46 -0.03 0.21 -0.01 0.00 0.00 175.02 175.65 1who s LYS 75 N -1.65 0.85 0.08 2.03 2.47 -1.26 -0.39 119.74 121.88 1who s LYS 75 Ca 0.40 -0.06 -0.12 0.00 -1.56 0.00 0.00 55.97 54.64 1who s LYS 75 Cb -0.19 -0.98 0.01 0.00 -1.46 0.00 0.00 37.83 35.21 1who s LYS 75 CO 0.23 -0.18 0.27 -0.80 0.16 0.00 0.00 175.35 175.03 1who s ASN 76 N 1.36 -0.03 -0.10 1.43 0.01 -0.77 -5.00 114.94 111.84 1who s ASN 76 Ca -0.04 -0.43 0.03 0.00 -0.71 0.00 0.00 52.86 51.71 1who s ASN 76 Cb -0.13 0.37 0.01 0.00 0.41 0.00 0.00 41.25 41.90 1who s ASN 76 CO -0.03 -0.71 -0.20 -0.69 -1.51 0.00 0.00 177.10 173.97 1who s VAL 77 N -3.36 1.76 -0.21 1.60 1.01 -1.26 -1.14 120.40 118.80 1who s VAL 77 Ca 0.01 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.17 1who s VAL 77 Cb 0.02 -1.56 0.04 0.00 0.00 0.00 0.00 36.38 34.89 1who s VAL 77 CO -0.08 0.49 -0.11 -0.36 0.00 0.00 0.00 175.10 175.04 1who s PHE 78 N 0.63 2.58 0.16 5.22 0.08 0.11 -5.01 117.98 121.74 1who s PHE 78 Ca -0.13 -1.72 -0.17 0.00 0.12 0.00 0.00 56.93 55.02 1who s PHE 78 Cb -0.16 -1.71 -0.07 0.00 -0.57 0.00 0.00 43.02 40.51 1who s PHE 78 CO 0.04 -0.77 0.61 -0.51 -0.10 0.00 0.00 175.22 174.48 1who s ASP 79 N 1.34 6.94 -1.66 1.36 1.01 -1.26 -1.37 116.67 123.02 1who s ASP 79 Ca -0.02 1.21 -0.11 0.00 0.71 0.00 0.00 52.55 54.34 1who s ASP 79 Cb -0.17 -2.34 0.10 0.00 1.01 0.00 0.00 42.92 41.53 1who s ASP 79 CO -0.08 0.11 0.41 0.47 0.21 0.00 0.00 175.17 176.29 1who n ASP 80 N 0.93 -0.96 0.02 0.27 8.00 -1.19 -4.88 116.55 118.73 1who n ASP 80 Ca -0.05 -1.17 -0.15 0.00 0.71 0.00 0.00 54.79 54.12 1who n ASP 80 Cb 0.51 -2.08 -0.05 0.00 -0.02 0.00 0.00 41.12 39.49 1who n ASP 80 CO 0.00 0.00 0.00 -0.37 -0.39 0.00 0.00 177.20 176.44 1who h VAL 81 N -1.46 1.32 -3.39 2.53 -1.51 -1.56 -3.43 116.25 108.75 1who h VAL 81 Ca -0.62 -2.13 -0.65 0.00 -1.23 0.00 0.00 66.70 62.07 1who h VAL 81 Cb 1.39 2.14 -0.25 0.00 -2.13 0.00 0.00 31.29 32.45 1who h VAL 81 CO 0.77 0.66 -0.69 -0.69 -1.23 0.00 0.00 177.57 176.38 1who s VAL 82 N -3.57 3.65 0.78 7.19 1.01 -1.18 -4.71 120.40 123.57 1who s VAL 82 Ca -0.08 -0.42 -0.11 0.00 0.00 0.00 0.00 61.98 61.36 1who s VAL 82 Cb 0.09 -2.63 0.06 0.00 0.00 0.00 0.00 36.38 33.90 1who s VAL 82 CO 0.89 0.45 1.09 -2.84 0.00 0.00 0.00 175.10 174.68 1who s PRO 83 N 0.94 2.20 0.11 2.72 0.02 -1.26 0.17 135.00 139.90 1who s PRO 83 Ca 0.00 0.81 -0.22 0.00 0.02 0.00 0.00 61.00 61.61 1who s PRO 83 Cb -0.15 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.38 1who s PRO 83 CO 0.01 -1.58 1.71 1.49 -0.33 0.00 0.00 177.00 178.30 1who h GLU 84 N -1.07 -0.03 -3.80 5.54 4.81 -1.92 -3.24 114.58 114.88 1who h GLU 84 Ca -0.46 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 57.98 1who h GLU 84 Cb 1.25 0.01 -0.26 0.00 0.63 0.00 0.00 28.75 30.38 1who h GLU 84 CO 0.57 -0.02 0.38 0.15 -0.73 0.00 0.00 179.01 179.36 1who s LYS 85 N -6.19 3.94 0.50 1.92 -0.14 -1.26 -4.78 119.74 113.73 1who s LYS 85 Ca -0.13 -2.83 0.02 0.00 -1.36 0.00 0.00 55.97 51.67 1who s LYS 85 Cb 0.09 -4.55 0.02 0.00 -1.68 0.00 0.00 37.83 31.70 1who s LYS 85 CO 0.67 -1.31 0.71 1.52 -0.76 0.00 0.00 175.35 176.18 1who s TYR 86 N -0.39 2.93 -0.07 3.18 -0.85 -1.22 -5.11 117.35 115.82 1who s TYR 86 Ca 0.26 -0.03 0.05 0.00 -0.52 0.00 0.00 57.07 56.83 1who s TYR 86 Cb -0.09 -2.57 -0.01 0.00 0.38 0.00 0.00 41.96 39.66 1who s TYR 86 CO -0.08 -0.66 -0.24 -0.08 -1.52 0.00 0.00 175.55 172.97 1who s THR 87 N -2.63 2.14 0.28 -3.49 -1.32 -1.26 -5.10 115.64 104.27 1who s THR 87 Ca 0.55 -1.02 -0.30 0.00 -1.21 0.00 0.00 61.69 59.70 1who s THR 87 Cb -0.10 -1.80 -0.12 0.00 -1.51 0.00 0.00 72.50 68.98 1who s THR 87 CO 0.37 0.57 1.64 -0.63 -2.21 0.00 0.00 174.62 174.35 1who s ILE 88 N 0.01 2.01 0.00 5.08 1.09 -1.26 -2.31 121.20 125.81 1who s ILE 88 Ca -0.08 0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.47 1who s ILE 88 Cb -0.15 -3.00 0.00 0.00 -1.06 0.00 0.00 42.46 38.24 1who s ILE 88 CO 0.05 0.00 0.00 0.61 -0.10 0.00 0.00 174.94 175.50 1who n GLY 89 N 2.56 1.94 3.83 6.18 0.00 0.13 -5.01 105.19 114.82 1who n GLY 89 Ca 0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 1who n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1who s ALA 90 N -2.49 3.24 -0.16 4.61 0.00 -0.98 -4.81 121.76 121.18 1who s ALA 90 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 51.96 52.07 1who s ALA 90 Cb 0.00 -2.91 -0.04 0.00 0.00 0.00 0.00 23.12 20.17 1who s ALA 90 CO 0.00 0.26 0.11 0.99 0.00 0.00 0.00 175.76 177.12 1who s THR 91 N -1.97 5.21 -0.03 0.00 2.01 -1.26 -2.54 115.64 117.06 1who s THR 91 Ca 0.55 0.11 0.07 0.00 0.31 0.00 0.00 61.69 62.73 1who s THR 91 Cb -0.11 -3.32 -0.02 0.00 0.01 0.00 0.00 72.50 69.06 1who s THR 91 CO 0.17 0.52 -0.24 -0.31 -0.69 0.00 0.00 174.62 174.07 1who s TYR 92 N -0.24 2.40 0.01 4.92 2.02 0.13 -4.95 117.35 121.64 1who s TYR 92 Ca 0.10 -0.38 -0.01 0.00 -0.37 0.00 0.00 57.07 56.41 1who s TYR 92 Cb -0.12 -1.52 -0.01 0.00 -0.40 0.00 0.00 41.96 39.91 1who s TYR 92 CO 0.01 0.01 -0.00 0.00 -1.57 0.00 0.00 175.55 173.99 1who s ALA 93 N -0.64 0.03 -2.00 3.71 0.00 -1.26 0.10 121.76 121.70 1who s ALA 93 Ca 0.10 -0.33 0.11 0.00 0.00 0.00 0.00 51.96 51.84 1who s ALA 93 Cb -0.10 0.08 0.63 0.00 0.00 0.00 0.00 23.12 23.74 1who s ALA 93 CO -0.01 -0.11 1.07 -0.35 0.00 0.00 0.00 175.76 176.37