#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gvk s VAL 17 N 0.00 4.92 -0.69 2.52 1.01 0.39 -4.12 120.40 124.43 1gvk s VAL 17 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.17 1gvk s VAL 17 Cb 0.00 -3.90 0.00 0.00 0.00 0.00 0.00 36.38 32.48 1gvk s VAL 17 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.15 1gvk n GLY 18 N 2.38 0.68 3.91 4.51 0.00 -1.25 -1.68 105.19 113.75 1gvk n GLY 18 Ca -0.08 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 44.95 1gvk n GLY 18 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gvk s GLY 19 N -2.86 1.71 0.21 -0.02 0.00 -1.26 -4.80 107.32 100.30 1gvk s GLY 19 Ca 0.00 -1.00 0.08 0.00 0.00 0.00 0.00 44.72 43.80 1gvk s GLY 19 CO 0.00 -0.33 -0.14 -0.51 0.00 0.00 0.00 173.10 172.12 1gvk s THR 20 N -3.76 1.77 -0.17 0.90 -4.23 0.28 -4.92 115.64 105.51 1gvk s THR 20 Ca 0.70 -2.22 -0.29 0.00 -1.18 0.00 0.00 61.69 58.70 1gvk s THR 20 Cb -0.06 -2.08 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 1gvk s THR 20 CO 0.52 -0.57 1.20 -0.70 -0.54 0.00 0.00 174.62 174.53 1gvk s GLU 21 N -3.64 4.25 0.52 3.99 2.12 -1.26 -0.76 118.70 123.92 1gvk s GLU 21 Ca 0.23 1.58 -0.22 0.00 0.36 0.00 0.00 54.97 56.92 1gvk s GLU 21 Cb -0.01 -3.72 -0.06 0.00 0.26 0.00 0.00 34.13 30.61 1gvk s GLU 21 CO 0.08 -0.67 1.28 0.00 -0.54 0.00 0.00 175.26 175.41 1gvk s ALA 22 N 3.32 2.85 0.68 6.30 0.00 -0.09 -4.88 121.76 129.94 1gvk s ALA 22 Ca 0.52 1.17 -0.17 0.00 0.00 0.00 0.00 51.96 53.48 1gvk s ALA 22 Cb -0.20 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.44 1gvk s ALA 22 CO 0.13 -1.11 1.28 -1.14 0.00 0.00 0.00 175.76 174.92 1gvk s GLN 23 N -2.87 2.33 0.10 0.00 0.74 -1.26 -4.88 119.66 113.82 1gvk s GLN 23 Ca 0.69 2.01 0.25 0.00 0.05 0.00 0.00 55.36 58.36 1gvk s GLN 23 Cb -0.35 -1.83 0.98 0.00 1.10 0.00 0.00 33.01 32.91 1gvk s GLN 23 CO 0.42 -1.75 1.79 2.89 -0.55 0.00 0.00 175.29 178.09 1gvk n ARG 24 N -2.22 0.11 -0.21 1.67 1.85 -1.26 -2.72 116.66 113.88 1gvk n ARG 24 Ca 0.15 0.15 0.07 0.00 -1.00 0.00 0.00 57.85 57.23 1gvk n ARG 24 Cb 0.49 -1.64 0.16 0.00 -1.05 0.00 0.00 32.46 30.42 1gvk n ARG 24 CO 0.00 0.00 0.00 0.27 -0.01 0.00 0.00 177.63 177.89 1gvk n ASN 25 N -1.83 2.94 0.04 2.89 0.23 -1.26 -4.68 115.26 113.59 1gvk n ASN 25 Ca 0.05 -2.66 -0.12 0.00 -0.53 0.00 0.00 54.58 51.33 1gvk n ASN 25 Cb 0.33 -0.36 -0.00 0.00 -2.08 0.00 0.00 39.78 37.67 1gvk n ASN 25 CO 0.00 0.00 0.00 0.28 -0.93 0.00 0.00 177.26 176.61 1gvk h SER 26 N 1.03 0.59 -2.13 0.53 0.02 -1.84 -3.39 113.55 108.35 1gvk h SER 26 Ca 0.00 -0.40 -0.55 0.00 -0.84 0.00 0.00 61.79 60.00 1gvk h SER 26 Cb 1.01 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 62.97 1gvk h SER 26 CO 0.08 1.16 -0.89 0.79 -1.14 0.00 0.00 176.83 176.83 1gvk n TRP 27 N -3.85 2.04 0.69 3.45 7.02 -1.26 -4.95 117.44 120.59 1gvk n TRP 27 Ca -0.05 -3.90 0.08 0.00 -1.02 0.00 0.00 57.50 52.61 1gvk n TRP 27 Cb 0.73 -0.46 0.39 0.00 -2.42 0.00 0.00 31.31 29.55 1gvk n TRP 27 CO 0.00 0.00 0.00 -0.35 -2.02 0.00 0.00 177.69 175.32 1gvk n PRO 28 N 0.38 0.15 0.00 -0.99 -0.04 -1.26 -1.68 135.00 131.55 1gvk n PRO 28 Ca 0.27 0.17 0.12 0.00 -0.04 0.00 0.00 63.50 64.02 1gvk n PRO 28 Cb 0.50 -1.50 0.31 0.00 -0.04 0.00 0.00 33.50 32.78 1gvk n PRO 28 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gvk n SER 29 N -1.36 0.65 -4.75 3.54 3.41 -1.21 -1.88 113.62 112.02 1gvk n SER 29 Ca 0.06 -0.45 -0.41 0.00 -0.26 0.00 0.00 58.87 57.81 1gvk n SER 29 Cb 0.15 0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.26 1gvk n SER 29 CO 0.00 0.00 0.00 -1.58 -0.16 0.00 0.00 175.04 173.30 1gvk s GLN 30 N -2.82 4.37 0.25 4.33 2.00 -0.68 -0.75 119.66 126.36 1gvk s GLN 30 Ca 0.16 2.12 0.09 0.00 -2.00 0.00 0.00 55.36 55.73 1gvk s GLN 30 Cb 0.18 -3.16 -0.05 0.00 0.80 0.00 0.00 33.01 30.79 1gvk s GLN 30 CO 0.63 -0.25 -0.16 0.96 -0.50 0.00 0.00 175.29 175.97 1gvk s ILE 31 N -0.20 2.04 -0.24 -2.34 -5.25 -0.37 -4.54 121.20 110.32 1gvk s ILE 31 Ca 0.55 -2.28 -0.07 0.00 -0.99 0.00 0.00 60.65 57.86 1gvk s ILE 31 Cb -0.38 -2.20 -0.03 0.00 2.95 0.00 0.00 42.46 42.80 1gvk s ILE 31 CO 0.42 -0.48 0.06 -0.55 -1.79 0.00 0.00 174.94 172.60 1gvk s SER 32 N -3.41 5.16 -0.24 4.36 0.15 -0.59 -2.60 113.70 116.52 1gvk s SER 32 Ca 0.26 -0.17 -0.14 0.00 0.70 0.00 0.00 55.95 56.60 1gvk s SER 32 Cb -0.02 -1.92 -0.04 0.00 -1.71 0.00 0.00 66.02 62.33 1gvk s SER 32 CO 0.11 0.00 0.35 -0.22 1.20 0.00 0.00 173.24 174.67 1gvk s LEU 33 N 1.41 4.10 0.10 3.45 2.96 0.15 -0.89 118.68 129.96 1gvk s LEU 33 Ca 0.05 0.35 0.06 0.00 -0.22 0.00 0.00 54.13 54.37 1gvk s LEU 33 Cb -0.15 -2.40 -0.03 0.00 0.50 0.00 0.00 46.19 44.10 1gvk s LEU 33 CO 0.03 -0.10 -0.16 -1.10 -1.32 0.00 0.00 176.35 173.70 1gvk s GLN 34 N 1.60 0.98 0.18 1.98 -0.21 -0.23 -0.94 119.66 123.02 1gvk s GLN 34 Ca 0.15 -1.11 0.11 0.00 0.02 0.00 0.00 55.36 54.53 1gvk s GLN 34 Cb -0.15 -1.02 -0.04 0.00 1.00 0.00 0.00 33.01 32.80 1gvk s GLN 34 CO 0.08 0.22 -0.24 1.52 -2.12 0.00 0.00 175.29 174.75 1gvk s TYR 35 N -1.54 2.32 0.09 0.91 1.13 -0.23 -1.01 117.35 119.02 1gvk s TYR 35 Ca 0.04 -0.36 -0.30 0.00 -1.41 0.00 0.00 57.07 55.04 1gvk s TYR 35 Cb -0.08 -1.17 -0.06 0.00 -1.10 0.00 0.00 41.96 39.55 1gvk s TYR 35 CO 0.03 0.47 1.14 0.50 -2.51 0.00 0.00 175.55 175.18 1gvk s ARG 36 N -2.57 4.50 -0.23 -3.49 3.52 -0.37 -0.81 118.95 119.50 1gvk s ARG 36 Ca 0.20 1.71 -0.03 0.00 -0.13 0.00 0.00 55.73 57.48 1gvk s ARG 36 Cb -0.08 -3.34 0.10 0.00 -1.56 0.00 0.00 34.95 30.07 1gvk s ARG 36 CO 0.09 -0.12 0.21 0.45 -0.81 0.00 0.00 175.30 175.13 1gvk s SER 36 N 0.65 1.86 1.81 -2.12 0.15 0.43 -4.80 113.70 111.69 1gvk s SER 36 Ca 0.55 -0.55 0.00 0.00 0.70 0.00 0.00 55.95 56.65 1gvk s SER 36 Cb -0.28 0.25 0.00 0.00 -1.71 0.00 0.00 66.02 64.27 1gvk s SER 36 CO 0.31 -0.36 0.00 0.61 1.20 0.00 0.00 173.24 175.00 1gvk n GLY 36 N 5.30 3.35 1.75 9.45 0.00 -1.26 -2.02 105.19 121.77 1gvk n GLY 36 Ca -0.05 0.25 0.08 0.00 0.00 0.00 0.00 46.02 46.30 1gvk n GLY 36 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gvk n SER 36 N 9.20 5.37 -1.91 1.61 3.41 -1.26 -4.95 113.62 125.08 1gvk n SER 36 Ca 0.00 -2.78 -0.07 0.00 -0.26 0.00 0.00 58.87 55.75 1gvk n SER 36 Cb 0.00 -0.65 -0.02 0.00 -0.26 0.00 0.00 64.21 63.28 1gvk n SER 36 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gvk n SER 37 N 0.74 -0.42 -4.23 4.04 2.88 -0.86 -5.16 113.62 110.61 1gvk n SER 37 Ca 0.27 -1.88 -0.27 0.00 -1.33 0.00 0.00 58.87 55.66 1gvk n SER 37 Cb 1.09 0.87 -0.15 0.00 -0.75 0.00 0.00 64.21 65.27 1gvk n SER 37 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1gvk s TRP 38 N -3.22 1.84 -0.09 0.66 0.52 -1.26 -0.42 118.94 116.97 1gvk s TRP 38 Ca 0.15 -0.36 0.03 0.00 0.02 0.00 0.00 56.10 55.94 1gvk s TRP 38 Cb 0.00 -1.16 0.01 0.00 -1.15 0.00 0.00 33.47 31.17 1gvk s TRP 38 CO 0.11 0.01 -0.19 0.00 0.02 0.00 0.00 176.95 176.90 1gvk s ALA 39 N -0.58 1.80 0.25 0.98 0.00 0.01 -4.90 121.76 119.32 1gvk s ALA 39 Ca 0.08 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 1gvk s ALA 39 Cb -0.08 -0.74 -0.11 0.00 0.00 0.00 0.00 23.12 22.19 1gvk s ALA 39 CO -0.00 0.17 1.60 -1.58 0.00 0.00 0.00 175.76 175.95 1gvk s HIS 40 N 0.56 2.88 0.00 0.00 2.46 -1.26 -1.06 115.29 118.86 1gvk s HIS 40 Ca -0.15 0.69 0.00 0.00 0.47 0.00 0.00 55.06 56.06 1gvk s HIS 40 Cb -0.17 -4.03 0.00 0.00 -0.13 0.00 0.00 32.58 28.26 1gvk s HIS 40 CO 0.05 -3.61 0.00 -2.37 -2.47 0.00 0.00 174.74 166.35 1gvk n THR 41 N 2.93 0.00 -3.78 0.89 5.66 -0.12 -4.92 114.28 114.94 1gvk n THR 41 Ca 0.11 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.02 1gvk n THR 41 Cb 0.37 -0.77 -0.04 0.00 -1.55 0.00 0.00 70.33 68.35 1gvk n THR 41 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gvk n GLY 43 N -0.36 0.80 3.79 0.00 0.00 0.35 -0.67 105.19 109.11 1gvk n GLY 43 Ca -0.08 -2.04 -0.01 0.00 0.00 0.00 0.00 46.02 43.88 1gvk n GLY 43 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gvk s GLY 44 N -4.74 -0.15 -0.10 -0.02 0.00 -1.07 -3.45 107.32 97.78 1gvk s GLY 44 Ca 0.58 0.09 0.03 0.00 0.00 0.00 0.00 44.72 45.42 1gvk s GLY 44 CO 0.38 1.43 -0.18 -1.59 0.00 0.00 0.00 173.10 173.15 1gvk s THR 45 N -2.58 1.68 -0.09 0.90 2.01 0.28 -1.23 115.64 116.62 1gvk s THR 45 Ca 0.18 -0.77 -0.30 0.00 0.31 0.00 0.00 61.69 61.11 1gvk s THR 45 Cb -0.00 -1.50 -0.04 0.00 0.01 0.00 0.00 72.50 70.97 1gvk s THR 45 CO 0.02 0.48 1.42 -0.22 -0.69 0.00 0.00 174.62 175.62 1gvk s LEU 46 N 0.73 4.26 -0.00 4.42 2.96 0.07 -0.55 118.68 130.57 1gvk s LEU 46 Ca -0.11 1.97 0.03 0.00 -0.22 0.00 0.00 54.13 55.80 1gvk s LEU 46 Cb -0.16 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 42.95 1gvk s LEU 46 CO 0.02 -0.80 0.07 2.30 -1.32 0.00 0.00 176.35 176.62 1gvk n ILE 47 N 5.21 0.00 -4.18 6.68 -5.35 -0.18 -0.15 119.36 121.39 1gvk n ILE 47 Ca 0.15 -0.12 -0.11 0.00 -0.27 0.00 0.00 62.75 62.40 1gvk n ILE 47 Cb 0.44 0.52 -0.10 0.00 -1.74 0.00 0.00 39.64 38.76 1gvk n ILE 47 CO 0.00 0.00 0.00 -0.13 -1.76 0.00 0.00 176.55 174.66 1gvk s ARG 48 N -2.05 1.03 0.63 6.28 1.81 -0.94 -4.74 118.95 120.97 1gvk s ARG 48 Ca -0.01 -1.51 0.37 0.00 -1.72 0.00 0.00 55.73 52.86 1gvk s ARG 48 Cb 0.02 0.16 2.10 0.00 -0.45 0.00 0.00 34.95 36.78 1gvk s ARG 48 CO 0.11 -0.27 2.29 1.96 -0.68 0.00 0.00 175.30 178.71 1gvk h GLN 49 N 2.77 0.00 0.00 3.54 4.20 -1.95 -2.36 115.11 121.30 1gvk h GLN 49 Ca -0.36 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.34 1gvk h GLN 49 Cb 1.21 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.97 1gvk h GLN 49 CO 0.58 0.00 -0.29 0.27 -0.67 0.00 0.00 178.83 178.73 1gvk n ASN 50 N -3.44 1.79 -3.82 1.46 6.94 -1.26 -0.97 115.26 115.97 1gvk n ASN 50 Ca -0.03 -3.16 -0.13 0.00 -0.02 0.00 0.00 54.58 51.24 1gvk n ASN 50 Cb 0.10 -0.43 -0.15 0.00 -2.36 0.00 0.00 39.78 36.95 1gvk n ASN 50 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 1gvk s TRP 51 N -2.48 -0.01 -0.02 -2.53 0.52 -0.89 -0.70 118.94 112.83 1gvk s TRP 51 Ca 0.31 0.12 0.07 0.00 0.02 0.00 0.00 56.10 56.62 1gvk s TRP 51 Cb 0.29 -0.10 -0.02 0.00 -1.15 0.00 0.00 33.47 32.49 1gvk s TRP 51 CO -0.02 -0.05 -0.25 0.08 0.02 0.00 0.00 176.95 176.73 1gvk s VAL 52 N 0.53 2.16 -0.20 4.03 1.01 -0.04 -1.01 120.40 126.89 1gvk s VAL 52 Ca -0.04 -1.07 -0.13 0.00 0.00 0.00 0.00 61.98 60.74 1gvk s VAL 52 Cb -0.06 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.52 1gvk s VAL 52 CO -0.02 0.58 0.25 -0.32 0.00 0.00 0.00 175.10 175.59 1gvk s MET 53 N -0.62 4.18 0.07 2.72 1.75 0.29 -0.41 119.30 127.28 1gvk s MET 53 Ca 0.10 -0.04 0.01 0.00 -1.25 0.00 0.00 55.69 54.51 1gvk s MET 53 Cb -0.10 -3.48 -0.00 0.00 2.84 0.00 0.00 34.83 34.09 1gvk s MET 53 CO -0.01 0.15 0.07 -2.37 -0.65 0.00 0.00 175.02 172.21 1gvk n THR 54 N 3.90 0.00 -3.20 10.11 5.66 -0.24 -0.56 114.28 129.95 1gvk n THR 54 Ca -0.13 -0.47 -0.39 0.00 -3.05 0.00 0.00 64.05 60.02 1gvk n THR 54 Cb 0.52 0.25 -0.06 0.00 -1.55 0.00 0.00 70.33 69.49 1gvk n THR 54 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1gvk s ALA 55 N -2.13 3.55 0.25 1.79 0.00 -1.26 -1.03 121.76 122.93 1gvk s ALA 55 Ca 0.08 0.11 -0.03 0.00 0.00 0.00 0.00 51.96 52.12 1gvk s ALA 55 Cb 0.00 -2.71 0.45 0.00 0.00 0.00 0.00 23.12 20.86 1gvk s ALA 55 CO 0.05 0.37 1.79 0.00 0.00 0.00 0.00 175.76 177.97 1gvk h ALA 56 N 4.46 1.21 0.00 0.00 0.00 -1.68 -2.06 119.26 121.19 1gvk h ALA 56 Ca -0.49 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1gvk h ALA 56 Cb 1.21 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1gvk h ALA 56 CO 0.64 0.00 -0.05 1.12 0.00 0.00 0.00 179.25 180.96 1gvk h HIS 57 N 0.70 0.00 0.00 0.00 2.07 -1.92 -0.14 115.15 115.86 1gvk h HIS 57 Ca 0.42 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.87 1gvk h HIS 57 Cb 0.50 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.46 1gvk h HIS 57 CO -0.08 0.05 -0.37 0.00 -3.07 0.00 0.00 177.93 174.46 1gvk n VAL 59 N -3.48 0.73 -2.17 0.00 0.24 -0.19 -4.81 118.33 108.66 1gvk n VAL 59 Ca 0.00 -0.76 -0.39 0.00 -2.04 0.00 0.00 64.34 61.15 1gvk n VAL 59 Cb 0.52 0.59 0.00 0.00 -1.47 0.00 0.00 33.84 33.48 1gvk n VAL 59 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1gvk n ASP 60 N -0.41 7.70 -0.72 -1.34 5.68 -0.48 -4.85 116.55 122.13 1gvk n ASP 60 Ca 0.01 -3.36 0.00 0.00 -0.50 0.00 0.00 54.79 50.95 1gvk n ASP 60 Cb 0.38 -1.28 0.00 0.00 -1.14 0.00 0.00 41.12 39.08 1gvk n ASP 60 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1gvk n ARG 61 N 0.98 0.00 -0.74 0.11 5.12 -1.26 -5.04 116.66 115.83 1gvk n ARG 61 Ca 0.56 0.00 -0.00 0.00 -1.93 0.00 0.00 57.85 56.48 1gvk n ARG 61 Cb 0.27 0.00 0.25 0.00 -1.16 0.00 0.00 32.46 31.83 1gvk n ARG 61 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1gvk n GLU 62 N 0.00 2.83 -2.33 5.56 -0.58 -1.26 -5.04 120.64 119.83 1gvk n GLU 62 Ca 0.00 -3.02 -0.27 0.00 -0.42 0.00 0.00 57.16 53.45 1gvk n GLU 62 Cb 0.00 -1.96 0.04 0.00 -0.57 0.00 0.00 31.44 28.95 1gvk n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 1gvk s LEU 63 N -3.01 3.17 -0.26 -4.62 1.43 -1.26 -5.05 118.68 109.07 1gvk s LEU 63 Ca 0.47 0.74 -0.21 0.00 -1.03 0.00 0.00 54.13 54.10 1gvk s LEU 63 Cb 0.39 -3.55 -0.01 0.00 0.03 0.00 0.00 46.19 43.05 1gvk s LEU 63 CO 0.08 -1.13 0.68 -0.89 0.23 0.00 0.00 176.35 175.31 1gvk s THR 64 N -3.05 4.94 0.09 5.49 2.01 -1.26 -5.02 115.64 118.84 1gvk s THR 64 Ca 0.55 1.19 0.06 0.00 0.31 0.00 0.00 61.69 63.79 1gvk s THR 64 Cb -0.11 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.37 1gvk s THR 64 CO 0.46 -0.03 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.94 1gvk s PHE 65 N 2.62 2.86 0.09 4.92 0.08 -1.26 -1.23 117.98 126.05 1gvk s PHE 65 Ca 0.28 -0.09 0.03 0.00 0.12 0.00 0.00 56.93 57.27 1gvk s PHE 65 Cb -0.15 -1.49 -0.04 0.00 -0.57 0.00 0.00 43.02 40.77 1gvk s PHE 65 CO 0.09 0.44 -0.08 -0.98 -0.10 0.00 0.00 175.22 174.59 1gvk s ARG 65 N -2.18 0.79 -0.07 0.44 1.70 -0.18 -2.52 118.95 116.92 1gvk s ARG 65 Ca 0.23 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.32 1gvk s ARG 65 Cb -0.11 -0.36 -0.03 0.00 -0.57 0.00 0.00 34.95 33.88 1gvk s ARG 65 CO 0.15 0.03 -0.05 0.08 -1.08 0.00 0.00 175.30 174.44 1gvk s VAL 66 N -2.77 3.87 -0.19 4.99 1.01 0.14 -1.07 120.40 126.38 1gvk s VAL 66 Ca 0.06 -0.41 -0.00 0.00 0.00 0.00 0.00 61.98 61.62 1gvk s VAL 66 Cb -0.01 -2.60 0.01 0.00 0.00 0.00 0.00 36.38 33.79 1gvk s VAL 66 CO -0.02 0.60 -0.15 -0.69 0.00 0.00 0.00 175.10 174.84 1gvk s VAL 67 N -0.80 2.47 0.24 2.92 1.01 -0.06 -0.99 120.40 125.17 1gvk s VAL 67 Ca 0.12 -0.80 0.06 0.00 0.00 0.00 0.00 61.98 61.36 1gvk s VAL 67 Cb -0.11 -2.07 -0.03 0.00 0.00 0.00 0.00 36.38 34.17 1gvk s VAL 67 CO 0.02 0.50 0.27 0.68 0.00 0.00 0.00 175.10 176.57 1gvk s VAL 68 N 1.34 4.88 -1.20 2.92 -7.23 -0.52 -1.54 120.40 119.05 1gvk s VAL 68 Ca 0.05 -1.15 0.00 0.00 -1.81 0.00 0.00 61.98 59.07 1gvk s VAL 68 Cb -0.13 -3.63 0.00 0.00 0.56 0.00 0.00 36.38 33.18 1gvk s VAL 68 CO -0.10 -0.31 0.00 0.61 -0.31 0.00 0.00 175.10 174.99 1gvk n GLY 69 N -1.21 0.86 3.85 2.32 0.00 -1.24 -1.15 105.19 108.62 1gvk n GLY 69 Ca -0.08 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.12 1gvk n GLY 69 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1gvk s GLU 70 N -3.51 3.86 0.07 1.61 2.56 -1.26 -3.14 118.70 118.89 1gvk s GLU 70 Ca 0.00 0.33 0.00 0.00 0.00 0.00 0.00 54.97 55.30 1gvk s GLU 70 Cb 0.00 -3.16 0.00 0.00 2.00 0.00 0.00 34.13 32.97 1gvk s GLU 70 CO 0.00 0.66 0.00 1.58 -0.56 0.00 0.00 175.26 176.94 1gvk n HIS 71 N 1.61 -0.46 -3.86 5.30 -0.00 -1.26 -4.94 115.22 111.61 1gvk n HIS 71 Ca -0.13 0.08 -0.36 0.00 -0.00 0.00 0.00 57.72 57.31 1gvk n HIS 71 Cb 0.52 0.25 -0.13 0.00 -0.00 0.00 0.00 29.99 30.63 1gvk n HIS 71 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 176.34 177.55 1gvk s ASN 72 N -5.19 4.70 0.60 0.26 3.84 -1.26 -1.41 114.94 116.48 1gvk s ASN 72 Ca 0.00 -0.76 0.39 0.00 0.21 0.00 0.00 52.86 52.70 1gvk s ASN 72 Cb 0.00 -1.77 1.95 0.00 -0.55 0.00 0.00 41.25 40.88 1gvk s ASN 72 CO 0.00 -0.15 2.18 -0.07 -2.79 0.00 0.00 177.10 176.27 1gvk h LEU 73 N 8.12 0.00 -1.87 3.21 3.38 -1.27 -3.02 115.31 123.87 1gvk h LEU 73 Ca -0.33 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.64 1gvk h LEU 73 Cb 1.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.87 1gvk h LEU 73 CO 0.59 0.00 0.00 0.59 0.09 0.00 0.00 178.44 179.71 1gvk n ASN 74 N -3.01 2.18 -3.98 -0.43 4.13 -1.26 -5.00 115.26 107.89 1gvk n ASN 74 Ca -0.01 -1.61 -0.09 0.00 1.68 0.00 0.00 54.58 54.54 1gvk n ASN 74 Cb 0.16 -0.07 -0.10 0.00 -1.54 0.00 0.00 39.78 38.22 1gvk n ASN 74 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1gvk s GLN 75 N -0.91 0.42 -0.12 3.52 -1.52 -1.14 -5.11 119.66 114.79 1gvk s GLN 75 Ca 0.15 -0.70 -0.29 0.00 -1.95 0.00 0.00 55.36 52.57 1gvk s GLN 75 Cb 0.10 0.15 -0.04 0.00 -0.22 0.00 0.00 33.01 33.00 1gvk s GLN 75 CO 0.14 -0.08 1.59 1.21 -0.25 0.00 0.00 175.29 177.89 1gvk s ASN 76 N -1.77 6.61 0.11 5.90 2.47 -1.26 -4.62 114.94 122.38 1gvk s ASN 76 Ca -0.11 1.96 0.23 0.00 0.42 0.00 0.00 52.86 55.37 1gvk s ASN 76 Cb -0.06 -2.53 0.17 0.00 -1.45 0.00 0.00 41.25 37.38 1gvk s ASN 76 CO -0.03 -1.01 1.16 0.59 -3.72 0.00 0.00 177.10 174.09 1gvk n ASN 77 N 7.50 0.68 -0.06 -4.21 4.13 -1.26 -4.97 115.26 117.07 1gvk n ASN 77 Ca 0.17 0.04 -0.01 0.00 1.68 0.00 0.00 54.58 56.47 1gvk n ASN 77 Cb 0.44 0.46 -0.00 0.00 -1.54 0.00 0.00 39.78 39.14 1gvk n ASN 77 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1gvk n GLY 78 N 1.32 0.48 0.00 7.41 0.00 -1.26 -4.85 105.19 108.29 1gvk n GLY 78 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.77 1gvk n GLY 78 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1gvk n THR 79 N -2.88 0.00 -2.51 2.61 -2.24 -1.26 -5.10 114.28 102.90 1gvk n THR 79 Ca -0.01 -0.16 -0.35 0.00 -2.27 0.00 0.00 64.05 61.26 1gvk n THR 79 Cb 0.08 1.37 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1gvk n THR 79 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1gvk s GLU 80 N -0.15 3.92 -0.04 -0.78 8.01 -1.19 -4.43 118.70 124.06 1gvk s GLU 80 Ca 0.00 1.46 0.05 0.00 0.01 0.00 0.00 54.97 56.48 1gvk s GLU 80 Cb 0.00 -2.28 -0.01 0.00 -4.31 0.00 0.00 34.13 27.53 1gvk s GLU 80 CO 0.00 -0.34 -0.18 -0.65 0.01 0.00 0.00 175.26 174.10 1gvk s GLN 81 N -2.91 1.74 -0.17 1.61 -0.21 -0.30 -4.99 119.66 114.42 1gvk s GLN 81 Ca 0.64 -0.63 -0.03 0.00 0.02 0.00 0.00 55.36 55.36 1gvk s GLN 81 Cb -0.20 -1.54 -0.02 0.00 1.00 0.00 0.00 33.01 32.25 1gvk s GLN 81 CO 0.24 0.28 -0.07 0.71 -2.12 0.00 0.00 175.29 174.34 1gvk s TYR 82 N -0.08 2.93 -0.01 0.91 1.51 -1.26 -1.44 117.35 119.91 1gvk s TYR 82 Ca -0.01 -0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 55.37 1gvk s TYR 82 Cb -0.10 -1.98 0.01 0.00 -0.11 0.00 0.00 41.96 39.77 1gvk s TYR 82 CO 0.02 -0.31 0.01 0.08 -1.11 0.00 0.00 175.55 174.24 1gvk s VAL 83 N 0.83 -0.02 0.61 0.71 1.01 -0.17 -5.01 120.40 118.37 1gvk s VAL 83 Ca -0.02 0.08 -0.16 0.00 0.00 0.00 0.00 61.98 61.88 1gvk s VAL 83 Cb -0.15 -0.04 -0.03 0.00 0.00 0.00 0.00 36.38 36.17 1gvk s VAL 83 CO 0.01 0.03 1.08 -0.83 0.00 0.00 0.00 175.10 175.40 1gvk s GLY 84 N 0.38 2.21 -0.30 4.51 0.00 -1.26 -0.68 107.32 112.18 1gvk s GLY 84 Ca -0.03 0.50 -0.21 0.00 0.00 0.00 0.00 44.72 44.98 1gvk s GLY 84 CO -0.01 0.84 0.66 0.14 0.00 0.00 0.00 173.10 174.73 1gvk s VAL 85 N -2.32 4.92 -0.11 1.40 1.01 -1.05 -0.88 120.40 123.37 1gvk s VAL 85 Ca 0.66 0.97 0.11 0.00 0.00 0.00 0.00 61.98 63.71 1gvk s VAL 85 Cb -0.18 -4.02 -0.24 0.00 0.00 0.00 0.00 36.38 31.94 1gvk s VAL 85 CO 0.37 -0.14 0.40 1.67 0.00 0.00 0.00 175.10 177.40 1gvk n GLN 86 N 5.92 0.67 -3.79 2.72 7.27 0.42 -4.87 117.38 125.72 1gvk n GLN 86 Ca 0.00 0.20 -0.13 0.00 0.07 0.00 0.00 57.00 57.14 1gvk n GLN 86 Cb 0.49 -1.69 -0.11 0.00 2.41 0.00 0.00 30.24 31.34 1gvk n GLN 86 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 1gvk s LYS 87 N -2.56 0.32 -0.17 3.69 2.20 -1.06 -4.98 119.74 117.18 1gvk s LYS 87 Ca -0.11 0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.83 1gvk s LYS 87 Cb 0.07 0.16 0.01 0.00 -1.51 0.00 0.00 37.83 36.56 1gvk s LYS 87 CO 0.80 -0.04 -0.19 0.42 -0.36 0.00 0.00 175.35 175.98 1gvk s ILE 88 N 0.03 2.24 -0.32 5.43 1.01 -1.26 -0.69 121.20 127.64 1gvk s ILE 88 Ca -0.01 -0.90 0.04 0.00 0.00 0.00 0.00 60.65 59.78 1gvk s ILE 88 Cb -0.02 -1.93 0.09 0.00 0.01 0.00 0.00 42.46 40.61 1gvk s ILE 88 CO 0.01 0.53 0.01 -0.69 0.00 0.00 0.00 174.94 174.80 1gvk s VAL 89 N 1.08 2.22 0.30 2.92 1.01 0.42 -5.00 120.40 123.34 1gvk s VAL 89 Ca -0.00 -2.15 -0.20 0.00 0.00 0.00 0.00 61.98 59.63 1gvk s VAL 89 Cb -0.14 -2.56 -0.09 0.00 0.00 0.00 0.00 36.38 33.58 1gvk s VAL 89 CO -0.07 -0.46 0.80 -0.69 0.00 0.00 0.00 175.10 174.68 1gvk s VAL 90 N 0.97 4.51 0.16 2.92 1.01 -1.26 -0.77 120.40 127.94 1gvk s VAL 90 Ca 0.06 1.31 -0.33 0.00 0.00 0.00 0.00 61.98 63.02 1gvk s VAL 90 Cb -0.19 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.28 1gvk s VAL 90 CO -0.08 0.00 1.62 1.57 0.00 0.00 0.00 175.10 178.22 1gvk n HIS 91 N 0.17 2.39 0.23 5.22 -0.00 -0.70 -4.81 115.22 117.72 1gvk n HIS 91 Ca 0.02 0.20 0.11 0.00 0.46 0.00 0.00 57.72 58.51 1gvk n HIS 91 Cb 0.52 -2.58 0.55 0.00 -0.12 0.00 0.00 29.99 28.36 1gvk n HIS 91 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1gvk n PRO 92 N 3.68 0.15 0.00 1.57 -0.04 -1.26 -1.52 135.00 137.59 1gvk n PRO 92 Ca 0.17 0.57 0.11 0.00 -0.04 0.00 0.00 63.50 64.31 1gvk n PRO 92 Cb 0.30 -1.93 0.08 0.00 -0.04 0.00 0.00 33.50 31.91 1gvk n PRO 92 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1gvk n TYR 93 N -2.24 0.00 -1.70 0.54 4.01 -1.26 -4.96 117.16 111.55 1gvk n TYR 93 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1gvk n TYR 93 Cb 0.09 -0.07 -0.01 0.00 -0.31 0.00 0.00 39.34 39.04 1gvk n TYR 93 CO 0.00 0.00 0.00 1.87 -0.46 0.00 0.00 176.86 178.27 1gvk n TRP 94 N -0.92 2.41 -3.90 -0.72 -0.00 -0.57 -4.94 117.44 108.80 1gvk n TRP 94 Ca 0.07 0.45 -0.28 0.00 -0.00 0.00 0.00 57.50 57.74 1gvk n TRP 94 Cb 0.37 -2.48 -0.16 0.00 -0.00 0.00 0.00 31.31 29.04 1gvk n TRP 94 CO 0.00 0.00 0.00 1.21 -0.00 0.00 0.00 177.69 178.90 1gvk s ASN 95 N 0.06 2.84 0.59 5.87 2.47 -1.26 -5.03 114.94 120.49 1gvk s ASN 95 Ca 0.61 -0.66 0.34 0.00 0.42 0.00 0.00 52.86 53.57 1gvk s ASN 95 Cb -0.57 -0.94 1.89 0.00 -1.45 0.00 0.00 41.25 40.18 1gvk s ASN 95 CO 0.55 -0.18 2.23 0.00 -3.72 0.00 0.00 177.10 175.99 1gvk h THR 96 N 6.36 0.36 0.00 -5.21 1.03 -1.98 0.10 112.91 113.58 1gvk h THR 96 Ca -0.25 -0.15 0.00 0.00 -0.01 0.00 0.00 66.41 66.00 1gvk h THR 96 Cb 1.11 1.11 0.00 0.00 -1.07 0.00 0.00 68.15 69.30 1gvk h THR 96 CO 0.41 0.03 0.00 0.47 -0.01 0.00 0.00 175.52 176.42 1gvk n ASP 97 N -3.55 0.65 -3.00 0.00 8.00 -1.26 -4.44 116.55 112.95 1gvk n ASP 97 Ca -0.03 0.63 -0.17 0.00 0.71 0.00 0.00 54.79 55.94 1gvk n ASP 97 Cb 0.13 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 40.43 1gvk n ASP 97 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1gvk n ASP 98 N -2.18 -1.11 -2.07 -2.24 -0.08 0.02 -5.07 116.55 103.82 1gvk n ASP 98 Ca 0.03 -3.00 -0.00 0.00 -1.51 0.00 0.00 54.79 50.31 1gvk n ASP 98 Cb 0.27 0.45 -0.00 0.00 2.34 0.00 0.00 41.12 44.17 1gvk n ASP 98 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1gvk n VAL 99 N 1.39 0.08 0.00 5.18 3.14 -1.25 -4.07 118.33 122.80 1gvk n VAL 99 Ca 0.16 -0.02 0.00 0.00 -2.96 0.00 0.00 64.34 61.51 1gvk n VAL 99 Cb 0.58 -1.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.26 1gvk n VAL 99 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1gvk n ALA 99 N 2.16 0.00 0.00 1.55 0.00 -1.26 -4.81 120.51 118.15 1gvk n ALA 99 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gvk n ALA 99 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 1gvk n ALA 99 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gvk n GLY 100 N 0.00 -1.28 2.40 0.00 0.00 -1.26 -4.99 105.19 100.06 1gvk n GLY 100 Ca 0.00 -1.76 -0.18 0.00 0.00 0.00 0.00 46.02 44.09 1gvk n GLY 100 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1gvk n TYR 101 N 0.00 -0.53 -2.56 1.61 4.01 -1.26 -4.64 117.16 113.79 1gvk n TYR 101 Ca 0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1gvk n TYR 101 Cb 0.00 -3.33 0.00 0.00 -0.31 0.00 0.00 39.34 35.70 1gvk n TYR 101 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 1gvk n ASP 102 N -1.17 4.94 -3.66 7.72 2.03 -1.26 -4.37 116.55 120.78 1gvk n ASP 102 Ca -0.20 -2.97 -0.15 0.00 0.52 0.00 0.00 54.79 51.99 1gvk n ASP 102 Cb 0.63 -1.61 -0.08 0.00 -0.72 0.00 0.00 41.12 39.34 1gvk n ASP 102 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 1gvk s ILE 103 N 2.26 0.01 0.02 5.18 2.07 -1.26 -3.90 121.20 125.57 1gvk s ILE 103 Ca 0.46 -0.12 -0.17 0.00 -1.41 0.00 0.00 60.65 59.40 1gvk s ILE 103 Cb 0.04 -0.79 0.03 0.00 0.13 0.00 0.00 42.46 41.87 1gvk s ILE 103 CO 0.01 -0.07 0.38 0.00 -1.91 0.00 0.00 174.94 173.36 1gvk s ALA 104 N -0.54 -0.95 -0.06 1.50 0.00 -0.20 -1.72 121.76 119.80 1gvk s ALA 104 Ca -0.07 0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.29 1gvk s ALA 104 Cb -0.03 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 23.29 1gvk s ALA 104 CO 0.04 -0.37 -0.18 -0.51 0.00 0.00 0.00 175.76 174.73 1gvk s LEU 105 N -1.71 2.47 -0.22 0.00 1.43 0.05 -1.08 118.68 119.62 1gvk s LEU 105 Ca -0.09 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.65 1gvk s LEU 105 Cb -0.02 -1.49 0.01 0.00 0.03 0.00 0.00 46.19 44.72 1gvk s LEU 105 CO 0.01 0.28 -0.09 -0.76 0.23 0.00 0.00 176.35 176.01 1gvk s LEU 106 N -0.34 2.75 -0.12 1.79 1.43 0.45 -0.43 118.68 124.21 1gvk s LEU 106 Ca 0.02 -0.60 -0.22 0.00 -1.03 0.00 0.00 54.13 52.31 1gvk s LEU 106 Cb -0.13 -1.64 -0.03 0.00 0.03 0.00 0.00 46.19 44.42 1gvk s LEU 106 CO 0.02 -0.04 0.66 -0.60 0.23 0.00 0.00 176.35 176.62 1gvk s ARG 107 N 1.38 4.35 0.34 1.70 3.52 0.14 -0.86 118.95 129.51 1gvk s ARG 107 Ca 0.04 0.76 -0.14 0.00 -0.13 0.00 0.00 55.73 56.26 1gvk s ARG 107 Cb -0.15 -3.50 -0.09 0.00 -1.56 0.00 0.00 34.95 29.66 1gvk s ARG 107 CO -0.06 -0.05 0.74 -0.51 -0.81 0.00 0.00 175.30 174.61 1gvk s LEU 108 N 1.23 4.03 0.33 -0.88 1.43 0.12 -0.44 118.68 124.50 1gvk s LEU 108 Ca 0.33 1.27 0.12 0.00 -1.03 0.00 0.00 54.13 54.82 1gvk s LEU 108 Cb -0.17 -4.08 0.58 0.00 0.03 0.00 0.00 46.19 42.55 1gvk s LEU 108 CO 0.14 -0.24 1.74 0.00 0.23 0.00 0.00 176.35 178.22 1gvk h ALA 109 N 2.11 1.20 -2.27 4.21 0.00 -1.34 -3.43 119.26 119.73 1gvk h ALA 109 Ca -0.48 -0.43 -0.32 0.00 0.00 0.00 0.00 54.91 53.68 1gvk h ALA 109 Cb 1.18 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.74 1gvk h ALA 109 CO 0.65 0.59 -0.71 -1.14 0.00 0.00 0.00 179.25 178.63 1gvk s GLN 110 N -3.92 1.03 0.02 0.00 -0.44 -1.26 -5.04 119.66 110.05 1gvk s GLN 110 Ca -0.02 -1.42 -0.30 0.00 -2.50 0.00 0.00 55.36 51.11 1gvk s GLN 110 Cb 0.13 -0.60 -0.04 0.00 -1.64 0.00 0.00 33.01 30.87 1gvk s GLN 110 CO 0.74 0.07 1.04 -1.12 0.50 0.00 0.00 175.29 176.52 1gvk s SER 111 N -3.11 7.30 0.62 6.67 0.01 -1.26 -4.70 113.70 119.23 1gvk s SER 111 Ca 0.16 1.76 -0.11 0.00 1.31 0.00 0.00 55.95 59.07 1gvk s SER 111 Cb 0.02 -2.57 -0.04 0.00 0.21 0.00 0.00 66.02 63.64 1gvk s SER 111 CO 0.00 -0.30 1.03 0.68 0.41 0.00 0.00 173.24 175.06 1gvk s VAL 112 N 0.96 4.61 -0.11 3.43 -7.23 -0.14 -4.98 120.40 116.94 1gvk s VAL 112 Ca 0.53 0.83 -0.14 0.00 -1.81 0.00 0.00 61.98 61.40 1gvk s VAL 112 Cb -0.23 -3.84 -0.05 0.00 0.56 0.00 0.00 36.38 32.82 1gvk s VAL 112 CO 0.28 -1.10 0.34 -0.89 -0.31 0.00 0.00 175.10 173.42 1gvk s THR 113 N -3.19 5.23 0.21 5.32 2.01 -1.26 -4.86 115.64 119.11 1gvk s THR 113 Ca 0.55 0.66 -0.17 0.00 0.31 0.00 0.00 61.69 63.04 1gvk s THR 113 Cb -0.11 -3.66 -0.08 0.00 0.01 0.00 0.00 72.50 68.66 1gvk s THR 113 CO 0.54 0.45 0.66 -0.76 -0.69 0.00 0.00 174.62 174.82 1gvk s LEU 114 N -0.07 4.29 0.00 4.42 1.43 -1.26 -4.80 118.68 122.69 1gvk s LEU 114 Ca 0.20 1.25 -0.02 0.00 -1.03 0.00 0.00 54.13 54.54 1gvk s LEU 114 Cb -0.14 -3.57 0.01 0.00 0.03 0.00 0.00 46.19 42.52 1gvk s LEU 114 CO 0.07 0.01 0.08 -0.46 0.23 0.00 0.00 176.35 176.28 1gvk n ASN 115 N 0.52 -0.15 0.00 2.29 0.23 -0.23 -4.96 115.26 112.97 1gvk n ASN 115 Ca -0.02 -1.08 0.06 0.00 -0.53 0.00 0.00 54.58 53.00 1gvk n ASN 115 Cb 0.52 0.24 0.25 0.00 -2.08 0.00 0.00 39.78 38.70 1gvk n ASN 115 CO 0.00 0.00 0.00 -1.54 -0.93 0.00 0.00 177.26 174.79 1gvk n SER 116 N -0.72 0.00 -0.20 0.53 3.41 -1.26 -1.90 113.62 113.49 1gvk n SER 116 Ca -0.00 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.17 1gvk n SER 116 Cb 0.05 -0.49 -0.05 0.00 -0.26 0.00 0.00 64.21 63.46 1gvk n SER 116 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1gvk n TYR 117 N -1.49 0.00 -3.54 7.33 4.01 -1.26 -4.71 117.16 117.50 1gvk n TYR 117 Ca 0.03 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.52 1gvk n TYR 117 Cb 0.13 0.00 -0.15 0.00 -0.31 0.00 0.00 39.34 39.01 1gvk n TYR 117 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 1gvk s VAL 118 N -2.35 -0.15 0.04 -0.72 1.01 -0.80 -3.62 120.40 113.82 1gvk s VAL 118 Ca 0.11 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.61 1gvk s VAL 118 Cb 0.14 -0.81 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 1gvk s VAL 118 CO 0.58 -0.49 0.02 -1.10 0.00 0.00 0.00 175.10 174.11 1gvk s GLN 119 N 2.17 0.57 0.35 2.72 -1.52 -0.79 -1.07 119.66 122.10 1gvk s GLN 119 Ca 0.07 -0.98 -0.27 0.00 -1.95 0.00 0.00 55.36 52.23 1gvk s GLN 119 Cb -0.16 0.21 -0.09 0.00 -0.22 0.00 0.00 33.01 32.75 1gvk s GLN 119 CO -0.24 -0.12 1.13 -0.51 -0.25 0.00 0.00 175.29 175.30 1gvk s LEU 120 N -2.46 4.32 0.22 2.90 1.43 -1.26 -3.34 118.68 120.48 1gvk s LEU 120 Ca -0.00 2.29 -0.30 0.00 -1.03 0.00 0.00 54.13 55.09 1gvk s LEU 120 Cb 0.02 -3.89 -0.08 0.00 0.03 0.00 0.00 46.19 42.27 1gvk s LEU 120 CO -0.07 -0.46 1.04 -0.83 0.23 0.00 0.00 176.35 176.27 1gvk s GLY 121 N -1.08 3.00 -0.10 -3.19 0.00 0.78 -4.81 107.32 101.92 1gvk s GLY 121 Ca 0.52 0.76 -0.24 0.00 0.00 0.00 0.00 44.72 45.76 1gvk s GLY 121 CO 0.38 1.47 0.75 0.14 0.00 0.00 0.00 173.10 175.84 1gvk s VAL 122 N -0.72 4.99 0.10 1.40 1.01 -1.26 -4.79 120.40 121.13 1gvk s VAL 122 Ca 0.45 1.51 0.01 0.00 0.00 0.00 0.00 61.98 63.96 1gvk s VAL 122 Cb -0.29 -4.08 -0.04 0.00 0.00 0.00 0.00 36.38 31.98 1gvk s VAL 122 CO 0.35 0.18 0.24 -0.76 0.00 0.00 0.00 175.10 175.12 1gvk s LEU 123 N 1.22 4.35 0.78 3.92 1.43 -1.26 -0.36 118.68 128.76 1gvk s LEU 123 Ca 0.38 0.23 -0.10 0.00 -1.03 0.00 0.00 54.13 53.60 1gvk s LEU 123 Cb -0.18 -2.94 0.06 0.00 0.03 0.00 0.00 46.19 43.17 1gvk s LEU 123 CO 0.17 0.12 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 1gvk s PRO 124 N -2.83 2.18 0.54 1.29 0.04 -1.26 -4.89 135.00 130.08 1gvk s PRO 124 Ca 0.35 1.19 -0.21 0.00 0.04 0.00 0.00 61.00 62.37 1gvk s PRO 124 Cb -0.12 -1.89 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 1gvk s PRO 124 CO 0.28 -1.70 1.28 1.03 0.04 0.00 0.00 177.00 177.93 1gvk s ARG 125 N -4.88 3.20 0.26 4.56 0.52 -1.26 -4.80 118.95 116.56 1gvk s ARG 125 Ca 0.62 2.04 -0.30 0.00 -0.52 0.00 0.00 55.73 57.57 1gvk s ARG 125 Cb -0.17 -2.20 -0.13 0.00 0.52 0.00 0.00 34.95 32.96 1gvk s ARG 125 CO 0.56 -1.08 1.36 0.00 0.02 0.00 0.00 175.30 176.16 1gvk n ALA 126 N -1.07 1.04 -0.27 2.13 0.00 -1.26 -2.07 120.51 119.01 1gvk n ALA 126 Ca 0.11 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.95 1gvk n ALA 126 Cb 0.47 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1gvk n ALA 126 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gvk n GLY 127 N 1.80 1.73 3.72 0.00 0.00 -0.54 -5.01 105.19 106.88 1gvk n GLY 127 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1gvk n GLY 127 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1gvk s THR 128 N -3.01 2.75 -0.10 2.61 2.01 -0.88 -5.00 115.64 114.02 1gvk s THR 128 Ca 0.00 0.54 0.04 0.00 0.31 0.00 0.00 61.69 62.58 1gvk s THR 128 Cb 0.00 -3.35 0.00 0.00 0.01 0.00 0.00 72.50 69.16 1gvk s THR 128 CO 0.00 0.04 -0.23 -0.63 -0.69 0.00 0.00 174.62 173.11 1gvk s ILE 129 N 1.09 2.02 0.28 1.82 -1.09 -1.26 -4.77 121.20 119.30 1gvk s ILE 129 Ca 0.69 -0.99 -0.28 0.00 -2.23 0.00 0.00 60.65 57.83 1gvk s ILE 129 Cb -0.42 -1.76 -0.09 0.00 -1.58 0.00 0.00 42.46 38.61 1gvk s ILE 129 CO 0.31 0.55 0.97 -0.76 -1.23 0.00 0.00 174.94 174.78 1gvk s LEU 130 N 0.42 4.51 0.70 2.97 1.43 -1.26 -5.03 118.68 122.41 1gvk s LEU 130 Ca -0.17 1.95 -0.17 0.00 -1.03 0.00 0.00 54.13 54.72 1gvk s LEU 130 Cb -0.18 -3.78 0.01 0.00 0.03 0.00 0.00 46.19 42.28 1gvk s LEU 130 CO 0.07 0.01 1.22 0.00 0.23 0.00 0.00 176.35 177.89 1gvk n ALA 131 N 1.05 0.66 -1.61 4.21 0.00 -1.26 -4.89 120.51 118.67 1gvk n ALA 131 Ca -0.00 -0.11 -0.42 0.00 0.00 0.00 0.00 53.44 52.91 1gvk n ALA 131 Cb 0.48 -2.27 0.01 0.00 0.00 0.00 0.00 19.45 17.66 1gvk n ALA 131 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gvk n ASN 132 N -2.19 1.29 -1.29 0.00 5.15 -1.26 -2.40 115.26 114.57 1gvk n ASN 132 Ca 0.15 1.05 -0.12 0.00 -0.60 0.00 0.00 54.58 55.07 1gvk n ASN 132 Cb 0.49 -1.35 -0.01 0.00 -0.53 0.00 0.00 39.78 38.38 1gvk n ASN 132 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1gvk n ASN 133 N 0.61 -3.90 -4.77 1.20 5.15 0.22 -4.94 115.26 108.82 1gvk n ASN 133 Ca 0.09 0.04 -0.37 0.00 -0.60 0.00 0.00 54.58 53.73 1gvk n ASN 133 Cb 0.38 -3.02 -0.04 0.00 -0.53 0.00 0.00 39.78 36.58 1gvk n ASN 133 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 1gvk s SER 134 N -2.53 6.78 -0.07 1.20 0.01 -1.01 -4.58 113.70 113.50 1gvk s SER 134 Ca 0.00 2.14 -0.30 0.00 1.31 0.00 0.00 55.95 59.10 1gvk s SER 134 Cb 0.00 -2.60 -0.03 0.00 0.21 0.00 0.00 66.02 63.60 1gvk s SER 134 CO 0.00 -0.48 1.19 -2.16 0.41 0.00 0.00 173.24 172.20 1gvk s PRO 135 N -2.29 4.35 0.05 12.44 0.04 -1.26 -1.39 135.00 146.94 1gvk s PRO 135 Ca 0.56 1.65 -0.04 0.00 0.04 0.00 0.00 61.00 63.20 1gvk s PRO 135 Cb -0.25 -3.57 -0.02 0.00 0.04 0.00 0.00 34.50 30.69 1gvk s PRO 135 CO 0.32 -0.46 0.06 0.00 0.04 0.00 0.00 177.00 176.96 1gvk s TYR 137 N -3.38 2.28 0.19 0.00 1.51 0.44 -0.89 117.35 117.50 1gvk s TYR 137 Ca 0.02 -0.72 -0.16 0.00 -1.01 0.00 0.00 57.07 55.20 1gvk s TYR 137 Cb 0.04 -1.51 -0.08 0.00 -0.11 0.00 0.00 41.96 40.30 1gvk s TYR 137 CO -0.08 -0.24 0.62 -1.50 -1.11 0.00 0.00 175.55 173.24 1gvk s ILE 138 N -0.02 4.76 0.09 2.71 2.07 -0.36 -0.76 121.20 129.67 1gvk s ILE 138 Ca -0.06 0.96 0.06 0.00 -1.41 0.00 0.00 60.65 60.19 1gvk s ILE 138 Cb -0.14 -3.76 -0.03 0.00 0.13 0.00 0.00 42.46 38.66 1gvk s ILE 138 CO 0.04 0.18 -0.15 0.42 -1.91 0.00 0.00 174.94 173.52 1gvk s THR 139 N -1.55 1.21 0.00 4.00 -4.23 -1.21 -1.20 115.64 112.67 1gvk s THR 139 Ca 0.41 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.49 1gvk s THR 139 Cb -0.15 -1.23 0.00 0.00 1.34 0.00 0.00 72.50 72.46 1gvk s THR 139 CO 0.20 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.63 1gvk n GLY 140 N 1.08 0.30 1.19 3.99 0.00 -0.47 -4.51 105.19 106.77 1gvk n GLY 140 Ca -0.20 -1.12 0.09 0.00 0.00 0.00 0.00 46.02 44.79 1gvk n GLY 140 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1gvk n TRP 141 N -0.70 1.03 -0.62 1.61 8.01 -1.26 -1.49 117.44 124.01 1gvk n TRP 141 Ca 0.00 -0.59 -0.30 0.00 -1.31 0.00 0.00 57.50 55.30 1gvk n TRP 141 Cb 0.00 -0.14 0.26 0.00 -2.01 0.00 0.00 31.31 29.42 1gvk n TRP 141 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.69 176.88 1gvk s GLY 142 N -1.08 1.49 0.39 6.99 0.00 -1.25 -1.35 107.32 112.50 1gvk s GLY 142 Ca 0.42 -0.71 -0.25 0.00 0.00 0.00 0.00 44.72 44.18 1gvk s GLY 142 CO 0.22 0.20 1.00 1.04 0.00 0.00 0.00 173.10 175.56 1gvk n LEU 143 N -5.22 2.35 -0.18 0.66 4.77 0.46 -2.27 117.00 117.57 1gvk n LEU 143 Ca 0.10 1.07 0.12 0.00 -0.03 0.00 0.00 56.01 57.27 1gvk n LEU 143 Cb 0.59 -1.33 0.20 0.00 -2.33 0.00 0.00 43.42 40.54 1gvk n LEU 143 CO 0.47 -1.48 0.43 0.35 -1.33 0.00 0.00 177.39 175.82 1gvk n THR 144 N -0.31 0.00 -3.86 -5.08 -2.24 -0.75 -0.94 114.28 101.10 1gvk n THR 144 Ca 0.09 -0.09 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1gvk n THR 144 Cb 0.37 0.59 -0.09 0.00 -2.10 0.00 0.00 70.33 69.11 1gvk n THR 144 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1gvk s ARG 145 N -2.72 0.67 0.17 -0.78 0.52 -1.26 -4.21 118.95 111.34 1gvk s ARG 145 Ca 0.17 -0.64 -0.33 0.00 -0.52 0.00 0.00 55.73 54.40 1gvk s ARG 145 Cb 0.18 0.28 -0.14 0.00 0.52 0.00 0.00 34.95 35.78 1gvk s ARG 145 CO 0.64 -0.19 1.46 2.41 0.02 0.00 0.00 175.30 179.64 1gvk n THR 147 N 0.71 0.35 -2.41 0.02 -1.04 -1.26 -0.72 114.28 109.94 1gvk n THR 147 Ca -0.19 -0.09 -0.18 0.00 -2.04 0.00 0.00 64.05 61.55 1gvk n THR 147 Cb 0.59 -1.36 -0.01 0.00 -1.82 0.00 0.00 70.33 67.72 1gvk n THR 147 CO 0.00 0.00 0.00 0.59 -0.64 0.00 0.00 175.07 175.02 1gvk n ASN 148 N 2.80 -5.27 0.00 8.00 3.02 -1.26 -4.95 115.26 117.59 1gvk n ASN 148 Ca 0.15 0.06 0.00 0.00 -0.03 0.00 0.00 54.58 54.76 1gvk n ASN 148 Cb 0.28 -4.41 0.00 0.00 -0.61 0.00 0.00 39.78 35.04 1gvk n ASN 148 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1gvk n GLY 149 N -0.94 2.15 3.27 7.41 0.00 0.10 -5.13 105.19 112.04 1gvk n GLY 149 Ca -0.22 -1.79 -0.16 0.00 0.00 0.00 0.00 46.02 43.85 1gvk n GLY 149 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gvk s GLN 150 N 4.59 1.12 0.62 1.61 -2.07 -1.26 -4.93 119.66 119.34 1gvk s GLN 150 Ca 0.00 -1.43 -0.18 0.00 -1.82 0.00 0.00 55.36 51.93 1gvk s GLN 150 Cb 0.00 -0.83 -0.03 0.00 -1.09 0.00 0.00 33.01 31.07 1gvk s GLN 150 CO 0.00 0.13 1.15 1.28 -1.32 0.00 0.00 175.29 176.53 1gvk n LEU 151 N -0.04 5.01 -4.78 2.60 4.77 -1.26 -1.81 117.00 121.49 1gvk n LEU 151 Ca -0.11 0.83 -0.36 0.00 -0.03 0.00 0.00 56.01 56.34 1gvk n LEU 151 Cb 0.60 -1.49 -0.01 0.00 -2.33 0.00 0.00 43.42 40.19 1gvk n LEU 151 CO 0.31 -1.35 0.78 0.00 -1.33 0.00 0.00 177.39 175.81 1gvk s ALA 152 N -1.44 2.86 -0.06 -1.18 0.00 -0.45 -4.82 121.76 116.68 1gvk s ALA 152 Ca 0.79 0.82 -0.23 0.00 0.00 0.00 0.00 51.96 53.34 1gvk s ALA 152 Cb -0.40 -3.34 -0.29 0.00 0.00 0.00 0.00 23.12 19.09 1gvk s ALA 152 CO 0.44 -0.60 0.91 1.96 0.00 0.00 0.00 175.76 178.47 1gvk h GLN 153 N 1.70 0.26 -6.16 0.00 4.20 -1.94 -3.45 115.11 109.71 1gvk h GLN 153 Ca -0.50 -0.40 -0.65 0.00 0.06 0.00 0.00 58.65 57.17 1gvk h GLN 153 Cb 1.25 0.14 -0.11 0.00 0.30 0.00 0.00 27.48 29.06 1gvk h GLN 153 CO 0.59 1.16 -0.61 0.95 -0.67 0.00 0.00 178.83 180.25 1gvk s THR 154 N -2.54 4.43 0.20 -0.54 -4.23 -1.26 -0.77 115.64 110.92 1gvk s THR 154 Ca -0.15 -0.68 -0.33 0.00 -1.18 0.00 0.00 61.69 59.36 1gvk s THR 154 Cb 0.01 -3.07 -0.13 0.00 1.34 0.00 0.00 72.50 70.64 1gvk s THR 154 CO 0.80 0.23 1.58 -0.11 -0.54 0.00 0.00 174.62 176.58 1gvk n LEU 155 N 0.84 3.39 -4.68 4.79 7.94 -0.50 -4.83 117.00 123.95 1gvk n LEU 155 Ca -0.11 1.10 -0.27 0.00 -1.11 0.00 0.00 56.01 55.61 1gvk n LEU 155 Cb 0.52 -1.47 -0.08 0.00 0.53 0.00 0.00 43.42 42.92 1gvk n LEU 155 CO 0.40 -0.19 -0.32 -1.10 -1.11 0.00 0.00 177.39 175.07 1gvk s GLN 156 N 0.58 2.49 0.07 1.96 -1.52 -0.56 -0.92 119.66 121.76 1gvk s GLN 156 Ca 0.75 -1.01 0.06 0.00 -1.95 0.00 0.00 55.36 53.20 1gvk s GLN 156 Cb -0.62 -2.43 -0.03 0.00 -0.22 0.00 0.00 33.01 29.71 1gvk s GLN 156 CO 0.40 0.48 -0.17 1.14 -0.25 0.00 0.00 175.29 176.89 1gvk s GLN 157 N -2.79 0.98 -0.00 2.91 -2.07 0.06 -1.37 119.66 117.38 1gvk s GLN 157 Ca 0.27 -0.96 0.00 0.00 -1.82 0.00 0.00 55.36 52.85 1gvk s GLN 157 Cb -0.10 -1.07 0.00 0.00 -1.09 0.00 0.00 33.01 30.75 1gvk s GLN 157 CO 0.19 0.25 -0.00 0.00 -1.32 0.00 0.00 175.29 174.41 1gvk s ALA 158 N -1.09 0.01 -0.31 2.60 0.00 -0.34 -0.56 121.76 122.07 1gvk s ALA 158 Ca 0.02 0.01 -0.29 0.00 0.00 0.00 0.00 51.96 51.70 1gvk s ALA 158 Cb -0.09 -0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1gvk s ALA 158 CO 0.02 -0.00 1.21 -0.47 0.00 0.00 0.00 175.76 176.53 1gvk s TYR 159 N 0.04 2.86 -0.41 0.00 5.04 -1.26 -1.23 117.35 122.39 1gvk s TYR 159 Ca -0.00 0.97 0.02 0.00 -2.44 0.00 0.00 57.07 55.62 1gvk s TYR 159 Cb -0.01 -3.86 0.12 0.00 0.35 0.00 0.00 41.96 38.57 1gvk s TYR 159 CO -0.00 -1.36 0.18 -0.51 -1.34 0.00 0.00 175.55 172.52 1gvk s LEU 160 N 4.11 3.06 0.60 6.97 1.43 -0.07 -4.95 118.68 129.83 1gvk s LEU 160 Ca 0.52 -2.38 -0.19 0.00 -1.03 0.00 0.00 54.13 51.04 1gvk s LEU 160 Cb -0.15 -1.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.89 1gvk s LEU 160 CO 0.21 -0.31 1.27 -2.84 0.23 0.00 0.00 176.35 174.91 1gvk s PRO 161 N 0.64 2.88 0.66 1.29 0.02 -1.26 -3.69 135.00 135.54 1gvk s PRO 161 Ca 0.15 2.00 -0.15 0.00 0.02 0.00 0.00 61.00 63.02 1gvk s PRO 161 Cb -0.22 -1.98 0.00 0.00 0.02 0.00 0.00 34.50 32.31 1gvk s PRO 161 CO -0.07 -1.33 1.11 0.95 -0.33 0.00 0.00 177.00 177.34 1gvk s THR 162 N -1.45 3.19 -0.22 0.99 -4.23 -0.49 -0.60 115.64 112.84 1gvk s THR 162 Ca 0.78 0.55 0.02 0.00 -1.18 0.00 0.00 61.69 61.86 1gvk s THR 162 Cb -0.35 -3.08 0.04 0.00 1.34 0.00 0.00 72.50 70.45 1gvk s THR 162 CO 0.39 -0.34 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.30 1gvk s VAL 163 N -2.32 1.96 1.07 2.29 1.01 -0.08 -0.61 120.40 123.71 1gvk s VAL 163 Ca 0.67 -1.22 -0.13 0.00 0.00 0.00 0.00 61.98 61.31 1gvk s VAL 163 Cb -0.21 -1.97 0.23 0.00 0.00 0.00 0.00 36.38 34.43 1gvk s VAL 163 CO 0.42 0.21 1.07 1.51 0.00 0.00 0.00 175.10 178.31 1gvk s ASP 164 N 1.26 1.96 0.22 3.32 1.47 -1.26 -4.01 116.67 119.63 1gvk s ASP 164 Ca -0.02 1.28 -0.09 0.00 1.18 0.00 0.00 52.55 54.91 1gvk s ASP 164 Cb -0.17 -1.99 0.23 0.00 -0.34 0.00 0.00 42.92 40.65 1gvk s ASP 164 CO -0.09 -3.56 1.85 0.22 0.68 0.00 0.00 175.17 174.28 1gvk h TYR 165 N -2.18 0.88 -0.94 2.11 3.20 -1.94 0.31 116.97 118.40 1gvk h TYR 165 Ca -0.57 0.02 0.03 0.00 3.14 0.00 0.00 58.73 61.35 1gvk h TYR 165 Cb 1.33 -0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.27 1gvk h TYR 165 CO 0.27 0.48 0.62 0.00 -1.64 0.00 0.00 178.16 177.89 1gvk h ALA 166 N 1.33 1.23 0.05 1.82 0.00 -1.97 0.54 119.26 122.26 1gvk h ALA 166 Ca 0.31 -0.05 -0.13 0.00 0.00 0.00 0.00 54.91 55.04 1gvk h ALA 166 Cb 0.06 -0.35 0.01 0.00 0.00 0.00 0.00 17.79 17.51 1gvk h ALA 166 CO -0.13 0.53 -0.53 0.82 0.00 0.00 0.00 179.25 179.94 1gvk h ILE 167 N 1.22 1.53 -0.07 0.00 2.04 -1.76 -3.34 117.51 117.13 1gvk h ILE 167 Ca 0.36 -2.23 -0.07 0.00 1.00 0.00 0.00 64.86 63.93 1gvk h ILE 167 Cb -0.05 2.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.95 1gvk h ILE 167 CO -0.10 0.63 -0.26 0.00 0.00 0.00 0.00 178.15 178.41 1gvk n SER 169 N -4.19 6.35 0.00 0.00 3.41 0.16 -0.59 113.62 118.76 1gvk n SER 169 Ca -0.02 -3.13 0.00 0.00 -0.26 0.00 0.00 58.87 55.46 1gvk n SER 169 Cb 0.34 -1.42 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1gvk n SER 169 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1gvk n SER 170 N 2.90 0.00 0.00 4.04 7.64 -1.26 -3.38 113.62 123.56 1gvk n SER 170 Ca 0.49 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.37 1gvk n SER 170 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1gvk n SER 170 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1gvk n TYR 171 N 0.00 0.00 1.03 1.43 4.02 -1.26 -4.82 117.16 117.56 1gvk n TYR 171 Ca 0.00 0.00 0.11 0.00 -0.01 0.00 0.00 57.90 58.00 1gvk n TYR 171 Cb 0.00 0.00 0.04 0.00 -0.02 0.00 0.00 39.34 39.36 1gvk n TYR 171 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 1gvk n TRP 172 N 0.00 0.00 -3.93 -0.72 7.02 0.24 -4.86 117.44 115.19 1gvk n TRP 172 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1gvk n TRP 172 Cb 0.00 -0.07 0.00 0.00 -2.42 0.00 0.00 31.31 28.82 1gvk n TRP 172 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1gvk n GLY 173 N 1.47 1.38 0.24 6.99 0.00 -1.22 -2.07 105.19 111.98 1gvk n GLY 173 Ca 0.06 -0.54 0.06 0.00 0.00 0.00 0.00 46.02 45.60 1gvk n GLY 173 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1gvk n SER 174 N -2.38 0.70 -0.19 1.61 3.41 -1.26 -3.14 113.62 112.38 1gvk n SER 174 Ca 0.00 -1.76 0.12 0.00 -0.26 0.00 0.00 58.87 56.97 1gvk n SER 174 Cb 0.00 -0.07 0.43 0.00 -0.26 0.00 0.00 64.21 64.31 1gvk n SER 174 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1gvk h THR 175 N 0.85 0.88 -3.39 6.66 2.02 -1.79 -3.40 112.91 114.73 1gvk h THR 175 Ca 0.00 -0.20 -0.55 0.00 0.77 0.00 0.00 66.41 66.43 1gvk h THR 175 Cb 0.19 0.25 -0.04 0.00 -1.74 0.00 0.00 68.15 66.81 1gvk h THR 175 CO 0.00 0.10 0.06 -0.69 0.37 0.00 0.00 175.52 175.36 1gvk s VAL 176 N -5.55 4.59 0.28 3.16 1.01 -1.19 -4.76 120.40 117.95 1gvk s VAL 176 Ca -0.09 1.38 0.10 0.00 0.00 0.00 0.00 61.98 63.37 1gvk s VAL 176 Cb 0.21 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 1gvk s VAL 176 CO 0.77 0.48 -0.05 -0.54 0.00 0.00 0.00 175.10 175.76 1gvk s LYS 177 N -1.30 2.14 0.00 2.72 -0.14 -1.26 -4.88 119.74 117.02 1gvk s LYS 177 Ca 0.34 -1.52 0.13 0.00 -1.36 0.00 0.00 55.97 53.56 1gvk s LYS 177 Cb -0.20 -2.05 0.58 0.00 -1.68 0.00 0.00 37.83 34.48 1gvk s LYS 177 CO 0.22 0.34 1.42 -1.71 -0.76 0.00 0.00 175.35 174.86 1gvk n ASN 178 N -0.84 0.00 -0.33 2.83 5.15 -1.26 -1.51 115.26 119.29 1gvk n ASN 178 Ca -0.06 0.46 0.02 0.00 -0.60 0.00 0.00 54.58 54.40 1gvk n ASN 178 Cb 0.59 -0.48 0.07 0.00 -0.53 0.00 0.00 39.78 39.43 1gvk n ASN 178 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 1gvk n SER 179 N -1.48 0.93 -4.39 1.20 3.41 -1.26 -4.84 113.62 107.19 1gvk n SER 179 Ca 0.04 -2.02 -0.21 0.00 -0.26 0.00 0.00 58.87 56.41 1gvk n SER 179 Cb 0.15 -0.15 -0.10 0.00 -0.26 0.00 0.00 64.21 63.85 1gvk n SER 179 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1gvk s MET 180 N -1.75 1.46 -0.08 4.33 -1.94 -0.57 -0.87 119.30 119.87 1gvk s MET 180 Ca 0.10 -1.62 0.03 0.00 -1.71 0.00 0.00 55.69 52.48 1gvk s MET 180 Cb 0.06 -1.43 -0.02 0.00 2.01 0.00 0.00 34.83 35.45 1gvk s MET 180 CO 0.06 0.26 -0.16 0.08 -0.01 0.00 0.00 175.02 175.26 1gvk s VAL 181 N -2.59 2.86 -0.07 -6.03 1.01 0.53 -4.69 120.40 111.42 1gvk s VAL 181 Ca 0.24 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.42 1gvk s VAL 181 Cb -0.03 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.17 1gvk s VAL 181 CO 0.10 0.56 0.08 0.00 0.00 0.00 0.00 175.10 175.84 1gvk s ALA 183 N -1.06 -0.76 0.00 0.00 0.00 -0.32 -0.91 121.76 118.72 1gvk s ALA 183 Ca 0.18 0.72 0.00 0.00 0.00 0.00 0.00 51.96 52.85 1gvk s ALA 183 Cb -0.12 -0.36 0.00 0.00 0.00 0.00 0.00 23.12 22.65 1gvk s ALA 183 CO 0.08 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1gvk n GLY 184 N 2.48 0.87 1.90 0.00 0.00 0.23 -1.13 105.19 109.54 1gvk n GLY 184 Ca -0.15 -1.16 0.00 0.00 0.00 0.00 0.00 46.02 44.71 1gvk n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gvk n GLY 185 N 0.00 0.44 0.15 -0.02 0.00 -1.26 -4.66 105.19 99.84 1gvk n GLY 185 Ca 0.00 -0.78 0.15 0.00 0.00 0.00 0.00 46.02 45.39 1gvk n GLY 185 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1gvk n ASP 186 N 1.41 0.51 0.00 1.61 5.75 -1.26 -1.37 116.55 123.20 1gvk n ASP 186 Ca 0.00 -0.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.89 1gvk n ASP 186 Cb 0.00 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.05 1gvk n ASP 186 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1gvk n GLY 187 N 1.16 1.22 0.72 6.12 0.00 -1.26 -4.77 105.19 108.38 1gvk n GLY 187 Ca 0.19 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 1gvk n GLY 187 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gvk n VAL 188 N -2.00 0.12 -4.98 1.61 0.31 -1.26 -4.57 118.33 107.55 1gvk n VAL 188 Ca 0.00 -0.03 -0.32 0.00 -0.01 0.00 0.00 64.34 63.97 1gvk n VAL 188 Cb 0.00 -1.31 -0.14 0.00 -0.91 0.00 0.00 33.84 31.48 1gvk n VAL 188 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1gvk s ARG 188 N -2.04 2.56 -0.17 5.55 0.52 -1.26 -3.82 118.95 120.29 1gvk s ARG 188 Ca -0.03 -0.75 -0.30 0.00 -0.52 0.00 0.00 55.73 54.13 1gvk s ARG 188 Cb 0.01 -2.34 0.13 0.00 0.52 0.00 0.00 34.95 33.28 1gvk s ARG 188 CO 0.04 0.54 1.03 0.45 0.02 0.00 0.00 175.30 177.38 1gvk s SER 189 N -0.52 -0.34 1.10 0.23 0.15 -0.68 -4.36 113.70 109.29 1gvk s SER 189 Ca 0.07 0.37 -0.12 0.00 0.70 0.00 0.00 55.95 56.97 1gvk s SER 189 Cb -0.11 0.28 0.25 0.00 -1.71 0.00 0.00 66.02 64.73 1gvk s SER 189 CO 0.01 -0.31 1.06 -0.83 1.20 0.00 0.00 173.24 174.37 1gvk s GLY 190 N -1.08 1.58 0.38 9.45 0.00 -1.26 -0.46 107.32 115.93 1gvk s GLY 190 Ca -0.01 0.02 -0.09 0.00 0.00 0.00 0.00 44.72 44.64 1gvk s GLY 190 CO 0.01 0.67 0.66 0.00 0.00 0.00 0.00 173.10 174.43 1gvk n GLN 192 N -0.57 2.32 0.00 0.00 3.00 -1.26 -1.03 117.38 119.85 1gvk n GLN 192 Ca -0.04 0.82 0.00 0.00 -0.01 0.00 0.00 57.00 57.77 1gvk n GLN 192 Cb 0.61 -2.51 0.00 0.00 0.00 0.00 0.00 30.24 28.34 1gvk n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gvk n GLY 193 N 1.66 1.40 0.13 1.08 0.00 -1.26 -0.40 105.19 107.81 1gvk n GLY 193 Ca 0.08 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1gvk n GLY 193 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1gvk h ASP 194 N 0.00 0.00 -2.34 1.61 3.32 -1.36 -3.29 116.42 114.36 1gvk h ASP 194 Ca 0.00 0.00 -0.61 0.00 0.02 0.00 0.00 57.03 56.44 1gvk h ASP 194 Cb 0.00 0.00 0.12 0.00 0.22 0.00 0.00 39.33 39.67 1gvk h ASP 194 CO 0.00 0.12 -0.12 -1.20 -1.72 0.00 0.00 179.24 176.33 1gvk n SER 195 N -2.81 0.27 0.00 6.45 7.64 -1.26 -1.64 113.62 122.28 1gvk n SER 195 Ca -0.01 1.06 0.00 0.00 1.01 0.00 0.00 58.87 60.94 1gvk n SER 195 Cb 0.61 -1.20 0.00 0.00 -1.01 0.00 0.00 64.21 62.61 1gvk n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1gvk n GLY 196 N 1.49 3.07 3.94 0.23 0.00 0.59 -0.49 105.19 114.02 1gvk n GLY 196 Ca 0.11 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1gvk n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gvk s GLY 197 N -1.70 1.82 0.44 -0.02 0.00 -0.65 -3.26 107.32 103.95 1gvk s GLY 197 Ca 0.00 -1.33 -0.15 0.00 0.00 0.00 0.00 44.72 43.24 1gvk s GLY 197 CO 0.00 -0.50 0.87 2.56 0.00 0.00 0.00 173.10 176.03 1gvk s PRO 198 N -5.94 3.93 -0.29 2.90 0.04 -1.26 -0.79 135.00 133.59 1gvk s PRO 198 Ca 0.76 0.77 -0.05 0.00 0.04 0.00 0.00 61.00 62.52 1gvk s PRO 198 Cb -0.02 -2.27 0.02 0.00 0.04 0.00 0.00 34.50 32.27 1gvk s PRO 198 CO 0.54 -0.11 0.04 -1.17 0.04 0.00 0.00 177.00 176.34 1gvk s LEU 199 N -3.75 3.77 -0.23 -3.56 2.96 -0.38 -3.31 118.68 114.17 1gvk s LEU 199 Ca 0.56 -0.88 -0.12 0.00 -0.22 0.00 0.00 54.13 53.47 1gvk s LEU 199 Cb -0.10 -1.81 -0.05 0.00 0.50 0.00 0.00 46.19 44.74 1gvk s LEU 199 CO 0.27 -0.20 0.22 -1.00 -1.32 0.00 0.00 176.35 174.32 1gvk s HIS 200 N 1.41 3.32 -0.04 5.38 3.76 0.06 -1.06 115.29 128.12 1gvk s HIS 200 Ca 0.00 0.32 0.05 0.00 -0.15 0.00 0.00 55.06 55.28 1gvk s HIS 200 Cb -0.18 -2.34 -0.01 0.00 1.11 0.00 0.00 32.58 31.17 1gvk s HIS 200 CO 0.00 0.04 -0.19 0.00 -0.85 0.00 0.00 174.74 173.74 1gvk s LEU 202 N -0.06 4.07 -0.04 0.00 2.96 -0.98 -1.38 118.68 123.25 1gvk s LEU 202 Ca -0.03 0.61 -0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1gvk s LEU 202 Cb -0.12 -3.15 0.03 0.00 0.50 0.00 0.00 46.19 43.45 1gvk s LEU 202 CO 0.02 -0.72 0.00 -0.69 -1.32 0.00 0.00 176.35 173.65 1gvk s VAL 203 N 3.16 0.22 -1.69 1.68 1.01 0.09 -4.75 120.40 120.12 1gvk s VAL 203 Ca 0.35 0.11 -0.16 0.00 0.00 0.00 0.00 61.98 62.28 1gvk s VAL 203 Cb -0.13 -0.35 0.14 0.00 0.00 0.00 0.00 36.38 36.05 1gvk s VAL 203 CO 0.15 0.18 0.66 0.59 0.00 0.00 0.00 175.10 176.69 1gvk n ASN 204 N 4.49 -2.45 0.00 3.32 5.03 -1.26 -1.73 115.26 122.66 1gvk n ASN 204 Ca -0.19 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.19 1gvk n ASN 204 Cb 0.50 -2.52 0.00 0.00 -1.02 0.00 0.00 39.78 36.74 1gvk n ASN 204 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1gvk n GLY 205 N -1.48 1.39 3.27 7.41 0.00 -1.26 -5.02 105.19 109.50 1gvk n GLY 205 Ca 0.01 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 1gvk n GLY 205 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gvk s GLN 206 N -0.10 1.08 0.20 1.61 -1.52 -0.71 -5.10 119.66 115.13 1gvk s GLN 206 Ca 0.00 -1.16 -0.29 0.00 -1.95 0.00 0.00 55.36 51.96 1gvk s GLN 206 Cb 0.00 -1.27 -0.08 0.00 -0.22 0.00 0.00 33.01 31.44 1gvk s GLN 206 CO 0.00 0.29 0.92 0.71 -0.25 0.00 0.00 175.29 176.96 1gvk s TYR 207 N -1.32 3.94 0.09 0.91 2.02 -1.26 -0.73 117.35 120.99 1gvk s TYR 207 Ca 0.06 1.85 0.03 0.00 -0.37 0.00 0.00 57.07 58.64 1gvk s TYR 207 Cb -0.09 -2.96 -0.04 0.00 -0.40 0.00 0.00 41.96 38.47 1gvk s TYR 207 CO 0.04 0.41 -0.09 0.00 -1.57 0.00 0.00 175.55 174.34 1gvk s ALA 208 N -0.90 0.98 -0.70 3.71 0.00 -0.48 -4.68 121.76 119.69 1gvk s ALA 208 Ca 0.42 -1.16 -0.21 0.00 0.00 0.00 0.00 51.96 51.01 1gvk s ALA 208 Cb -0.25 0.07 0.09 0.00 0.00 0.00 0.00 23.12 23.03 1gvk s ALA 208 CO 0.31 -0.09 0.94 0.08 0.00 0.00 0.00 175.76 176.99 1gvk s VAL 209 N -2.58 4.53 -0.33 0.00 1.01 0.51 -0.64 120.40 122.90 1gvk s VAL 209 Ca 0.04 -0.77 0.23 0.00 0.00 0.00 0.00 61.98 61.49 1gvk s VAL 209 Cb -0.02 -4.66 0.04 0.00 0.00 0.00 0.00 36.38 31.74 1gvk s VAL 209 CO -0.01 -1.39 1.15 0.45 0.00 0.00 0.00 175.10 175.30 1gvk h HIS 210 N 9.32 0.00 -3.90 5.22 3.86 -1.41 -3.38 115.15 124.87 1gvk h HIS 210 Ca -0.20 0.00 -0.26 0.00 -1.16 0.00 0.00 60.37 58.76 1gvk h HIS 210 Cb 1.06 0.00 -0.19 0.00 1.06 0.00 0.00 27.41 29.35 1gvk h HIS 210 CO 0.98 0.00 -0.72 0.20 0.86 0.00 0.00 177.93 179.25 1gvk s GLY 211 N -4.21 0.63 -0.24 2.45 0.00 -1.15 -1.48 107.32 103.32 1gvk s GLY 211 Ca 0.02 -1.02 -0.01 0.00 0.00 0.00 0.00 44.72 43.71 1gvk s GLY 211 CO 0.77 -1.09 -0.09 0.14 0.00 0.00 0.00 173.10 172.82 1gvk s VAL 212 N -2.32 2.66 0.14 1.40 1.01 -0.62 -1.25 120.40 121.44 1gvk s VAL 212 Ca -0.01 -1.06 -0.32 0.00 0.00 0.00 0.00 61.98 60.60 1gvk s VAL 212 Cb -0.04 -2.33 -0.12 0.00 0.00 0.00 0.00 36.38 33.89 1gvk s VAL 212 CO -0.02 0.25 1.74 0.41 0.00 0.00 0.00 175.10 177.48 1gvk n THR 213 N 4.64 0.17 0.03 3.92 -1.04 0.03 -0.39 114.28 121.64 1gvk n THR 213 Ca -0.17 -0.03 -0.01 0.00 -2.04 0.00 0.00 64.05 61.80 1gvk n THR 213 Cb 0.47 -1.91 -0.00 0.00 -1.82 0.00 0.00 70.33 67.07 1gvk n THR 213 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1gvk n SER 214 N 4.60 1.12 -3.66 8.00 2.88 0.25 -0.30 113.62 126.51 1gvk n SER 214 Ca 0.17 0.15 -0.10 0.00 -1.33 0.00 0.00 58.87 57.76 1gvk n SER 214 Cb 0.34 -0.36 -0.04 0.00 -0.75 0.00 0.00 64.21 63.40 1gvk n SER 214 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1gvk s PHE 215 N -2.09 -0.18 0.39 0.66 -0.12 -0.68 -4.93 117.98 111.03 1gvk s PHE 215 Ca -0.03 -0.14 0.03 0.00 -0.05 0.00 0.00 56.93 56.74 1gvk s PHE 215 Cb 0.00 0.29 -0.04 0.00 -0.63 0.00 0.00 43.02 42.64 1gvk s PHE 215 CO 0.04 -0.75 0.09 0.14 -0.05 0.00 0.00 175.22 174.69 1gvk s VAL 216 N -3.82 0.86 0.45 -2.49 -7.23 -1.26 -1.07 120.40 105.84 1gvk s VAL 216 Ca 0.05 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 57.97 1gvk s VAL 216 Cb 0.01 -2.49 -0.08 0.00 0.56 0.00 0.00 36.38 34.39 1gvk s VAL 216 CO -0.10 0.00 1.38 -0.55 -0.31 0.00 0.00 175.10 175.52 1gvk s SER 217 N -3.59 5.93 0.30 4.85 0.15 -1.22 -4.90 113.70 115.23 1gvk s SER 217 Ca 0.26 2.82 0.23 0.00 0.70 0.00 0.00 55.95 59.97 1gvk s SER 217 Cb 0.05 -2.65 1.09 0.00 -1.71 0.00 0.00 66.02 62.80 1gvk s SER 217 CO 0.14 -1.13 1.70 0.54 1.20 0.00 0.00 173.24 175.69 1gvk n ARG 217 N -0.20 0.18 0.00 5.44 1.74 -1.26 -2.16 116.66 120.39 1gvk n ARG 217 Ca 0.05 0.53 0.13 0.00 -0.77 0.00 0.00 57.85 57.79 1gvk n ARG 217 Cb 0.43 -1.93 0.34 0.00 -1.02 0.00 0.00 32.46 30.28 1gvk n ARG 217 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1gvk n LEU 218 N -2.28 1.11 0.00 0.55 7.94 -1.26 -4.99 117.00 118.07 1gvk n LEU 218 Ca 0.00 -0.31 0.00 0.00 -1.11 0.00 0.00 56.01 54.60 1gvk n LEU 218 Cb 0.14 -0.11 0.00 0.00 0.53 0.00 0.00 43.42 43.98 1gvk n LEU 218 CO 0.15 0.21 0.00 0.61 -1.11 0.00 0.00 177.39 177.25 1gvk n GLY 219 N 1.35 2.69 0.16 -3.96 0.00 -0.92 -5.00 105.19 99.51 1gvk n GLY 219 Ca 0.12 -1.38 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 1gvk n GLY 219 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gvk s ASN 221 N -4.92 6.57 -0.08 0.00 4.22 -1.26 -4.69 114.94 114.78 1gvk s ASN 221 Ca -0.05 -2.09 0.02 0.00 -2.14 0.00 0.00 52.86 48.60 1gvk s ASN 221 Cb 0.00 -2.33 0.01 0.00 1.28 0.00 0.00 41.25 40.22 1gvk s ASN 221 CO 0.14 -0.94 -0.13 -0.69 -2.04 0.00 0.00 177.10 173.44 1gvk s VAL 221 N 1.99 1.26 0.24 3.54 1.01 -1.26 -4.67 120.40 122.52 1gvk s VAL 221 Ca 0.24 -0.53 -0.31 0.00 0.00 0.00 0.00 61.98 61.39 1gvk s VAL 221 Cb -0.10 -1.16 -0.11 0.00 0.00 0.00 0.00 36.38 35.01 1gvk s VAL 221 CO -0.06 0.39 1.60 -0.89 0.00 0.00 0.00 175.10 176.14 1gvk s THR 222 N 0.85 2.25 -1.37 3.92 2.01 -1.26 -1.38 115.64 120.65 1gvk s THR 222 Ca -0.11 0.19 0.00 0.00 0.31 0.00 0.00 61.69 62.09 1gvk s THR 222 Cb -0.15 -3.12 0.00 0.00 0.01 0.00 0.00 72.50 69.23 1gvk s THR 222 CO 0.01 0.02 0.00 0.54 -0.69 0.00 0.00 174.62 174.51 1gvk n ARG 223 N 2.97 -0.96 -3.46 4.92 1.74 -0.47 -4.92 116.66 116.47 1gvk n ARG 223 Ca 0.11 0.95 -0.27 0.00 -0.77 0.00 0.00 57.85 57.87 1gvk n ARG 223 Cb 0.37 -5.02 -0.09 0.00 -1.02 0.00 0.00 32.46 26.71 1gvk n ARG 223 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1gvk n LYS 224 N -2.49 1.85 -1.12 5.56 4.76 -0.48 -4.19 118.16 122.04 1gvk n LYS 224 Ca -0.13 -4.22 -0.34 0.00 -2.87 0.00 0.00 58.31 50.75 1gvk n LYS 224 Cb 0.44 -2.00 0.12 0.00 -1.84 0.00 0.00 35.03 31.75 1gvk n LYS 224 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1gvk n PRO 225 N 1.32 0.19 -1.92 1.97 -0.04 -1.26 -4.51 135.00 130.73 1gvk n PRO 225 Ca 0.26 0.13 -0.40 0.00 -0.04 0.00 0.00 63.50 63.46 1gvk n PRO 225 Cb 0.43 -2.28 0.01 0.00 -0.04 0.00 0.00 33.50 31.61 1gvk n PRO 225 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 1gvk s THR 226 N -2.09 2.34 -0.09 0.52 2.01 -0.28 -4.74 115.64 113.31 1gvk s THR 226 Ca 0.71 0.30 0.02 0.00 0.31 0.00 0.00 61.69 63.03 1gvk s THR 226 Cb -0.30 -3.18 -0.02 0.00 0.01 0.00 0.00 72.50 69.01 1gvk s THR 226 CO 0.53 0.05 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.67 1gvk s VAL 227 N -1.23 2.99 0.07 3.82 1.01 -0.23 -1.18 120.40 125.67 1gvk s VAL 227 Ca 0.58 -0.72 0.08 0.00 0.00 0.00 0.00 61.98 61.92 1gvk s VAL 227 Cb -0.41 -2.20 -0.03 0.00 0.00 0.00 0.00 36.38 33.73 1gvk s VAL 227 CO 0.53 0.56 -0.20 -0.36 0.00 0.00 0.00 175.10 175.63 1gvk s PHE 228 N -0.21 1.74 0.20 5.22 0.40 0.54 -0.58 117.98 125.29 1gvk s PHE 228 Ca 0.00 -0.40 -0.31 0.00 -0.60 0.00 0.00 56.93 55.63 1gvk s PHE 228 Cb -0.13 -0.99 -0.10 0.00 0.51 0.00 0.00 43.02 42.31 1gvk s PHE 228 CO 0.03 0.15 1.45 0.99 0.70 0.00 0.00 175.22 178.54 1gvk s THR 229 N -1.01 2.81 -0.60 0.64 2.01 0.48 -0.35 115.64 119.62 1gvk s THR 229 Ca 0.06 0.64 -0.27 0.00 0.31 0.00 0.00 61.69 62.42 1gvk s THR 229 Cb -0.09 -3.41 0.03 0.00 0.01 0.00 0.00 72.50 69.04 1gvk s THR 229 CO 0.03 0.08 1.16 -0.60 -0.69 0.00 0.00 174.62 174.60 1gvk s ARG 230 N 0.26 3.43 0.29 4.92 3.52 -0.05 -1.58 118.95 129.74 1gvk s ARG 230 Ca 0.62 0.07 0.04 0.00 -0.13 0.00 0.00 55.73 56.33 1gvk s ARG 230 Cb -0.41 -4.05 0.66 0.00 -1.56 0.00 0.00 34.95 29.59 1gvk s ARG 230 CO 0.38 -1.72 1.80 0.28 -0.81 0.00 0.00 175.30 175.22 1gvk h VAL 231 N 6.11 0.79 0.00 7.11 2.07 -1.55 -1.27 116.25 129.51 1gvk h VAL 231 Ca -0.26 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 66.97 1gvk h VAL 231 Cb 1.06 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1gvk h VAL 231 CO 1.18 0.15 0.00 -1.54 0.02 0.00 0.00 177.57 177.39 1gvk n SER 232 N -4.72 0.00 -0.00 0.57 3.41 -1.26 -0.83 113.62 110.79 1gvk n SER 232 Ca 0.21 0.44 0.13 0.00 -0.26 0.00 0.00 58.87 59.40 1gvk n SER 232 Cb 0.48 -0.47 0.51 0.00 -0.26 0.00 0.00 64.21 64.47 1gvk n SER 232 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1gvk n ALA 233 N -1.47 2.71 -0.69 7.33 0.00 -0.48 -1.47 120.51 126.44 1gvk n ALA 233 Ca 0.04 -0.18 0.04 0.00 0.00 0.00 0.00 53.44 53.34 1gvk n ALA 233 Cb 0.14 -1.36 0.06 0.00 0.00 0.00 0.00 19.45 18.30 1gvk n ALA 233 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1gvk n TYR 234 N -1.48 0.00 -0.05 0.00 4.01 -0.01 -4.79 117.16 114.84 1gvk n TYR 234 Ca 0.07 -0.65 -0.10 0.00 -0.16 0.00 0.00 57.90 57.06 1gvk n TYR 234 Cb 0.33 -0.09 -0.03 0.00 -0.31 0.00 0.00 39.34 39.24 1gvk n TYR 234 CO 0.00 0.00 0.00 0.82 -0.46 0.00 0.00 176.86 177.22 1gvk h ILE 235 N 0.74 1.07 -0.78 -0.72 1.08 -1.72 0.11 117.51 117.30 1gvk h ILE 235 Ca 0.00 -0.15 -0.05 0.00 -0.39 0.00 0.00 64.86 64.28 1gvk h ILE 235 Cb 0.82 0.79 -0.03 0.00 -3.07 0.00 0.00 36.82 35.33 1gvk h ILE 235 CO 0.00 0.07 0.31 0.28 -0.69 0.00 0.00 178.15 178.11 1gvk h SER 236 N 0.27 1.07 -0.12 1.72 0.02 -1.92 -0.85 113.55 113.74 1gvk h SER 236 Ca 0.08 -0.16 0.02 0.00 -0.84 0.00 0.00 61.79 60.88 1gvk h SER 236 Cb -0.01 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.23 1gvk h SER 236 CO -0.02 0.95 -0.03 -0.25 -1.14 0.00 0.00 176.83 176.35 1gvk h TRP 237 N 1.13 -0.06 -0.03 3.45 7.01 -1.77 0.13 115.95 125.82 1gvk h TRP 237 Ca 0.26 0.01 0.02 0.00 2.11 0.00 0.00 58.89 61.29 1gvk h TRP 237 Cb 0.21 0.04 -0.02 0.00 -2.10 0.00 0.00 29.16 27.30 1gvk h TRP 237 CO 0.02 -0.05 -0.08 0.82 -2.79 0.00 0.00 178.44 176.36 1gvk h ILE 238 N 0.00 0.79 -0.77 2.65 2.04 -0.75 -0.63 117.51 120.85 1gvk h ILE 238 Ca 0.06 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.88 1gvk h ILE 238 Cb 0.08 0.79 -0.04 0.00 -0.74 0.00 0.00 36.82 36.91 1gvk h ILE 238 CO -0.12 0.00 0.35 0.78 0.00 0.00 0.00 178.15 179.16 1gvk h ASN 239 N -0.13 1.01 -0.53 1.72 -0.26 -0.95 -1.61 115.58 114.84 1gvk h ASN 239 Ca 0.04 -0.13 -0.01 0.00 -0.56 0.00 0.00 56.30 55.64 1gvk h ASN 239 Cb 0.18 -0.26 -0.02 0.00 -1.06 0.00 0.00 38.32 37.16 1gvk h ASN 239 CO -0.10 0.87 0.28 0.78 -1.06 0.00 0.00 177.43 178.19 1gvk h ASN 240 N 1.10 0.67 -0.17 5.81 2.35 -0.26 -0.71 115.58 124.35 1gvk h ASN 240 Ca 0.26 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.91 1gvk h ASN 240 Cb 0.14 -0.17 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 1gvk h ASN 240 CO -0.03 0.58 0.10 0.58 -1.65 0.00 0.00 177.43 177.00 1gvk h VAL 241 N 0.70 1.10 -0.72 2.81 2.07 -0.76 -1.49 116.25 119.96 1gvk h VAL 241 Ca 0.18 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1gvk h VAL 241 Cb 0.07 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1gvk h VAL 241 CO -0.03 0.09 0.31 0.40 0.02 0.00 0.00 177.57 178.37 1gvk h ILE 242 N 0.18 1.24 0.00 4.57 2.04 -1.17 -1.41 117.51 122.96 1gvk h ILE 242 Ca 0.06 -0.73 -0.06 0.00 1.00 0.00 0.00 64.86 65.13 1gvk h ILE 242 Cb 0.07 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.52 1gvk h ILE 242 CO -0.01 0.30 -0.30 0.00 0.00 0.00 0.00 178.15 178.14 1gvk h ALA 243 N 1.15 1.05 0.00 1.87 0.00 -1.02 -2.97 119.26 119.34 1gvk h ALA 243 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 1gvk h ALA 243 Cb 0.17 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.92 1gvk h ALA 243 CO -0.02 0.37 -0.25 0.77 0.00 0.00 0.00 179.25 180.11 1gvk h SER 244 N 0.00 0.22 -0.03 0.00 0.02 -0.77 -3.51 113.55 109.48 1gvk h SER 244 Ca -0.00 -0.80 0.00 0.00 -0.84 0.00 0.00 61.79 60.15 1gvk h SER 244 Cb 0.78 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.26 1gvk h SER 244 CO 0.04 0.99 0.00 0.59 -1.14 0.00 0.00 176.83 177.30