#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gk4 s LYS 2 N 0.00 0.72 -0.16 0.00 1.02 -1.26 -5.03 119.74 115.02 2gk4 s LYS 2 Ca 0.00 0.96 -0.02 0.00 0.02 0.00 0.00 55.97 56.93 2gk4 s LYS 2 Cb 0.00 0.29 -0.02 0.00 -0.52 0.00 0.00 37.83 37.58 2gk4 s LYS 2 CO 0.00 -0.10 -0.08 0.42 -0.92 0.00 0.00 175.35 174.67 2gk4 s ILE 3 N 0.74 3.41 -0.20 2.17 -1.09 -0.38 -1.13 121.20 124.71 2gk4 s ILE 3 Ca -0.03 -0.52 -0.10 0.00 -2.23 0.00 0.00 60.65 57.78 2gk4 s ILE 3 Cb -0.05 -2.48 -0.05 0.00 -1.58 0.00 0.00 42.46 38.30 2gk4 s ILE 3 CO -0.07 0.49 0.12 -0.22 -1.23 0.00 0.00 174.94 174.04 2gk4 s LEU 4 N 0.64 4.18 -0.01 2.97 2.96 0.33 -1.02 118.68 128.74 2gk4 s LEU 4 Ca -0.05 0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.14 2gk4 s LEU 4 Cb -0.15 -2.08 -0.01 0.00 0.50 0.00 0.00 46.19 44.45 2gk4 s LEU 4 CO 0.03 0.18 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.39 2gk4 s VAL 5 N 0.34 1.24 0.06 1.68 1.01 0.03 -0.60 120.40 124.15 2gk4 s VAL 5 Ca 0.08 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.44 2gk4 s VAL 5 Cb -0.11 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.20 2gk4 s VAL 5 CO -0.02 0.33 -0.21 0.42 0.00 0.00 0.00 175.10 175.62 2gk4 s THR 6 N -0.40 2.59 0.19 3.92 -4.23 -0.24 -0.23 115.64 117.23 2gk4 s THR 6 Ca 0.06 -1.31 -0.12 0.00 -1.18 0.00 0.00 61.69 59.14 2gk4 s THR 6 Cb -0.06 -2.09 0.00 0.00 1.34 0.00 0.00 72.50 71.69 2gk4 s THR 6 CO -0.00 0.30 0.38 -0.94 -0.54 0.00 0.00 174.62 173.82 2gk4 s SER 7 N -1.50 -0.06 0.00 3.99 1.04 -0.70 -1.80 113.70 114.68 2gk4 s SER 7 Ca 0.14 -0.79 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2gk4 s SER 7 Cb -0.10 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.51 2gk4 s SER 7 CO 0.05 -0.98 0.00 0.61 0.98 0.00 0.00 173.24 173.90 2gk4 n GLY 8 N -0.28 0.35 3.54 7.32 0.00 -1.26 -3.93 105.19 110.94 2gk4 n GLY 8 Ca -0.07 -1.68 -0.15 0.00 0.00 0.00 0.00 46.02 44.12 2gk4 n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gk4 s GLY 9 N 0.00 -0.51 0.62 -0.02 0.00 -1.24 -0.54 107.32 105.62 2gk4 s GLY 9 Ca 0.00 1.64 -0.13 0.00 0.00 0.00 0.00 44.72 46.23 2gk4 s GLY 9 CO 0.00 1.35 1.04 -0.51 0.00 0.00 0.00 173.10 174.98 2gk4 s THR 10 N -0.20 4.19 -0.12 0.90 -4.23 -0.84 -4.69 115.64 110.66 2gk4 s THR 10 Ca -0.04 0.86 -0.02 0.00 -1.18 0.00 0.00 61.69 61.30 2gk4 s THR 10 Cb -0.03 -3.54 0.04 0.00 1.34 0.00 0.00 72.50 70.30 2gk4 s THR 10 CO 0.04 -0.79 0.02 -0.55 -0.54 0.00 0.00 174.62 172.80 2gk4 s SER 11 N -3.47 2.03 -0.30 3.99 0.15 -0.03 -0.71 113.70 115.36 2gk4 s SER 11 Ca 0.59 -0.34 -0.09 0.00 0.70 0.00 0.00 55.95 56.80 2gk4 s SER 11 Cb -0.13 -0.46 -0.02 0.00 -1.71 0.00 0.00 66.02 63.70 2gk4 s SER 11 CO 0.46 -0.24 0.14 -1.61 1.20 0.00 0.00 173.24 173.19 2gk4 s GLU 12 N 1.96 3.47 0.24 5.44 0.41 0.28 -4.03 118.70 126.46 2gk4 s GLU 12 Ca 0.03 -0.63 -0.30 0.00 -0.41 0.00 0.00 54.97 53.66 2gk4 s GLU 12 Cb -0.14 -3.54 -0.10 0.00 -1.78 0.00 0.00 34.13 28.57 2gk4 s GLU 12 CO -0.06 -0.35 1.47 0.00 -0.49 0.00 0.00 175.26 175.83 2gk4 s ALA 13 N 1.63 3.66 -0.22 5.21 0.00 -1.26 -0.83 121.76 129.95 2gk4 s ALA 13 Ca 0.05 1.35 -0.15 0.00 0.00 0.00 0.00 51.96 53.21 2gk4 s ALA 13 Cb -0.17 -3.57 -0.18 0.00 0.00 0.00 0.00 23.12 19.21 2gk4 s ALA 13 CO 0.06 -0.76 0.01 -0.89 0.00 0.00 0.00 175.76 174.18 2gk4 n ILE 14 N 2.60 1.56 -2.09 0.00 5.41 0.31 -4.68 119.36 122.48 2gk4 n ILE 14 Ca 0.08 -0.28 0.00 0.00 1.00 0.00 0.00 62.75 63.55 2gk4 n ILE 14 Cb 0.40 -1.89 0.00 0.00 -0.71 0.00 0.00 39.64 37.44 2gk4 n ILE 14 CO 0.00 0.00 0.00 -0.90 0.00 0.00 0.00 176.55 175.65 2gk4 n ASP 15 N -4.14 0.00 0.22 4.38 5.68 -1.02 -4.99 116.55 116.68 2gk4 n ASP 15 Ca -0.41 0.00 0.14 0.00 -0.50 0.00 0.00 54.79 54.02 2gk4 n ASP 15 Cb 0.83 0.00 0.36 0.00 -1.14 0.00 0.00 41.12 41.17 2gk4 n ASP 15 CO 0.00 0.00 0.00 0.28 -1.33 0.00 0.00 177.20 176.15 2gk4 h SER 16 N 0.00 0.00 0.00 -1.12 0.02 -2.04 -3.33 113.55 107.08 2gk4 h SER 16 Ca 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.84 2gk4 h SER 16 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 2gk4 h SER 16 CO 0.00 0.00 -1.43 0.52 -1.14 0.00 0.00 176.83 174.78 2gk4 n VAL 17 N -2.97 0.43 -3.85 2.27 0.31 -1.26 -5.08 118.33 108.19 2gk4 n VAL 17 Ca 0.03 -0.18 -0.33 0.00 -0.01 0.00 0.00 64.34 63.85 2gk4 n VAL 17 Cb 0.44 -0.78 -0.05 0.00 -0.91 0.00 0.00 33.84 32.54 2gk4 n VAL 17 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2gk4 s ARG 18 N -2.15 3.49 0.09 5.55 0.52 -1.25 -5.01 118.95 120.19 2gk4 s ARG 18 Ca -0.09 -0.24 0.02 0.00 -0.52 0.00 0.00 55.73 54.90 2gk4 s ARG 18 Cb 0.02 -3.07 -0.04 0.00 0.52 0.00 0.00 34.95 32.38 2gk4 s ARG 18 CO 0.19 0.65 -0.07 -1.12 0.02 0.00 0.00 175.30 174.96 2gk4 s SER 19 N -1.94 1.16 -0.23 0.23 0.01 -1.26 -0.53 113.70 111.15 2gk4 s SER 19 Ca 0.29 -0.93 -0.09 0.00 1.31 0.00 0.00 55.95 56.53 2gk4 s SER 19 Cb -0.13 0.08 -0.04 0.00 0.21 0.00 0.00 66.02 66.13 2gk4 s SER 19 CO 0.19 -0.41 0.11 -0.51 0.41 0.00 0.00 173.24 173.03 2gk4 s ILE 20 N -3.23 4.95 -0.04 1.44 2.07 -0.01 -4.86 121.20 121.53 2gk4 s ILE 20 Ca 0.09 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.40 2gk4 s ILE 20 Cb 0.03 -3.29 -0.00 0.00 0.13 0.00 0.00 42.46 39.32 2gk4 s ILE 20 CO -0.03 0.37 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.33 2gk4 s THR 21 N 1.02 1.21 -0.45 4.00 2.01 -1.26 -0.56 115.64 121.61 2gk4 s THR 21 Ca 0.06 -0.60 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 2gk4 s THR 21 Cb -0.14 -1.05 0.03 0.00 0.01 0.00 0.00 72.50 71.35 2gk4 s THR 21 CO 0.04 0.36 1.00 0.20 -0.69 0.00 0.00 174.62 175.53 2gk4 s ASN 22 N 0.06 6.58 0.00 3.53 -0.87 0.11 -4.94 114.94 119.42 2gk4 s ASN 22 Ca -0.03 0.33 0.12 0.00 -1.57 0.00 0.00 52.86 51.71 2gk4 s ASN 22 Cb -0.10 -2.49 0.55 0.00 -0.02 0.00 0.00 41.25 39.19 2gk4 s ASN 22 CO 0.01 -1.09 1.38 0.00 -2.57 0.00 0.00 177.10 174.83 2gk4 n HIS 23 N 7.34 0.14 -1.61 2.20 1.44 -1.26 -4.05 115.22 119.43 2gk4 n HIS 23 Ca 0.08 -0.07 -0.51 0.00 -2.01 0.00 0.00 57.72 55.22 2gk4 n HIS 23 Cb 0.49 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.54 2gk4 n HIS 23 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2gk4 n SER 24 N -0.21 1.91 -0.57 4.39 2.88 -1.26 -4.87 113.62 115.88 2gk4 n SER 24 Ca 0.10 1.11 0.10 0.00 -1.33 0.00 0.00 58.87 58.85 2gk4 n SER 24 Cb 0.15 -1.23 0.35 0.00 -0.75 0.00 0.00 64.21 62.73 2gk4 n SER 24 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 2gk4 n THR 25 N 2.70 0.24 -2.35 2.46 -2.24 -1.26 -3.68 114.28 110.15 2gk4 n THR 25 Ca 0.18 -0.36 -0.19 0.00 -2.27 0.00 0.00 64.05 61.41 2gk4 n THR 25 Cb 0.21 0.37 -0.01 0.00 -2.10 0.00 0.00 70.33 68.80 2gk4 n THR 25 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gk4 n GLY 26 N 1.13 -0.38 0.28 3.38 0.00 -1.26 -0.44 105.19 107.90 2gk4 n GLY 26 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2gk4 n GLY 26 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gk4 h HIS 27 N 0.00 0.70 -0.50 1.61 6.17 -1.92 -1.53 115.15 119.68 2gk4 h HIS 27 Ca -0.45 0.03 -0.08 0.00 0.71 0.00 0.00 60.37 60.58 2gk4 h HIS 27 Cb 1.33 -0.20 -0.02 0.00 2.52 0.00 0.00 27.41 31.04 2gk4 h HIS 27 CO 0.50 0.24 -0.00 1.25 0.71 0.00 0.00 177.93 180.63 2gk4 h LEU 28 N 0.64 0.86 -0.79 0.26 5.85 -1.98 -2.10 115.31 118.06 2gk4 h LEU 28 Ca 0.38 -0.31 0.12 0.00 0.84 0.00 0.00 57.88 58.92 2gk4 h LEU 28 Cb 0.43 -0.23 -0.08 0.00 0.37 0.00 0.00 40.66 41.14 2gk4 h LEU 28 CO -0.29 0.96 0.40 1.23 -0.34 0.00 0.00 178.44 180.40 2gk4 h GLY 29 N 0.74 1.23 0.99 3.75 0.00 -1.79 -0.28 103.07 107.71 2gk4 h GLY 29 Ca 0.14 -0.23 -0.00 0.00 0.00 0.00 0.00 47.33 47.24 2gk4 h GLY 29 CO 0.03 0.01 0.22 1.70 0.00 0.00 0.00 176.54 178.49 2gk4 h LYS 30 N 0.61 0.47 -0.49 4.80 3.64 -0.89 -1.16 116.57 123.55 2gk4 h LYS 30 Ca 0.41 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 59.62 2gk4 h LYS 30 Cb 0.52 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 2gk4 h LYS 30 CO -0.32 0.34 -0.21 0.82 -2.27 0.00 0.00 179.45 177.81 2gk4 h ILE 31 N 0.46 1.27 -0.39 2.00 2.04 -0.69 -0.48 117.51 121.72 2gk4 h ILE 31 Ca 0.13 -1.38 0.00 0.00 1.00 0.00 0.00 64.86 64.61 2gk4 h ILE 31 Cb -0.01 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 37.16 2gk4 h ILE 31 CO -0.03 0.48 0.25 0.40 0.00 0.00 0.00 178.15 179.26 2gk4 h ILE 32 N 0.87 1.11 -0.01 -0.67 2.04 -0.98 -0.25 117.51 119.62 2gk4 h ILE 32 Ca 0.11 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 65.75 2gk4 h ILE 32 Cb 0.79 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2gk4 h ILE 32 CO 0.07 0.11 0.01 0.74 0.00 0.00 0.00 178.15 179.07 2gk4 h THR 33 N 0.53 1.08 -0.75 -0.27 2.02 -0.91 -0.76 112.91 113.84 2gk4 h THR 33 Ca 0.14 -0.22 0.11 0.00 0.77 0.00 0.00 66.41 67.21 2gk4 h THR 33 Cb -0.04 1.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.49 2gk4 h THR 33 CO -0.03 0.06 0.37 -0.33 0.37 0.00 0.00 175.52 175.96 2gk4 h GLU 34 N -0.07 0.57 -0.45 6.66 5.08 -0.91 -0.21 114.58 125.25 2gk4 h GLU 34 Ca 0.00 -0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2gk4 h GLU 34 Cb 0.09 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2gk4 h GLU 34 CO -0.00 0.38 0.27 1.15 -1.00 0.00 0.00 179.01 179.81 2gk4 h THR 35 N 0.59 1.15 -0.38 1.13 2.02 -0.60 -0.66 112.91 116.16 2gk4 h THR 35 Ca 0.39 -0.34 -0.08 0.00 0.77 0.00 0.00 66.41 67.15 2gk4 h THR 35 Cb 0.47 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 2gk4 h THR 35 CO -0.31 0.15 -0.07 -0.07 0.37 0.00 0.00 175.52 175.59 2gk4 h LEU 36 N 0.60 0.73 -0.44 2.58 3.38 -0.62 -2.44 115.31 119.09 2gk4 h LEU 36 Ca 0.16 -0.35 -0.00 0.00 0.09 0.00 0.00 57.88 57.78 2gk4 h LEU 36 Cb 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 2gk4 h LEU 36 CO -0.03 0.91 0.26 -0.07 0.09 0.00 0.00 178.44 179.60 2gk4 h LEU 37 N 0.53 0.54 -1.01 1.67 3.38 -0.86 -1.98 115.31 117.57 2gk4 h LEU 37 Ca 0.10 -0.07 0.10 0.00 0.09 0.00 0.00 57.88 58.11 2gk4 h LEU 37 Cb 0.58 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.11 2gk4 h LEU 37 CO 0.03 0.45 0.64 -1.28 0.09 0.00 0.00 178.44 178.37 2gk4 h SER 38 N 0.59 0.97 -0.04 -0.43 0.87 -1.03 -0.63 113.55 113.84 2gk4 h SER 38 Ca 0.16 0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2gk4 h SER 38 Cb 0.01 -0.17 0.00 0.00 -0.44 0.00 0.00 62.40 61.81 2gk4 h SER 38 CO -0.03 0.56 0.00 0.00 -0.53 0.00 0.00 176.83 176.83 2gk4 n ALA 39 N -2.35 2.60 -0.07 6.23 0.00 -0.84 -4.91 120.51 121.16 2gk4 n ALA 39 Ca 0.18 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2gk4 n ALA 39 Cb 0.29 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.47 2gk4 n ALA 39 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gk4 n GLY 40 N 0.96 0.89 3.80 0.00 0.00 -0.24 -5.07 105.19 105.52 2gk4 n GLY 40 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.84 2gk4 n GLY 40 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2gk4 s TYR 41 N -2.03 3.38 -0.12 1.61 1.51 -0.81 -4.99 117.35 115.91 2gk4 s TYR 41 Ca 0.00 1.66 -0.26 0.00 -1.01 0.00 0.00 57.07 57.46 2gk4 s TYR 41 Cb 0.00 -2.91 -0.02 0.00 -0.11 0.00 0.00 41.96 38.92 2gk4 s TYR 41 CO 0.00 -0.13 0.85 -2.00 -1.11 0.00 0.00 175.55 173.16 2gk4 s GLU 42 N -2.81 4.37 -0.04 -0.62 2.12 -1.26 -4.40 118.70 116.07 2gk4 s GLU 42 Ca 0.59 1.10 0.05 0.00 0.36 0.00 0.00 54.97 57.06 2gk4 s GLU 42 Cb -0.13 -3.53 -0.01 0.00 0.26 0.00 0.00 34.13 30.72 2gk4 s GLU 42 CO 0.18 -0.22 -0.17 0.08 -0.54 0.00 0.00 175.26 174.58 2gk4 s VAL 43 N 1.74 1.44 -0.23 3.70 1.01 -0.28 -1.25 120.40 126.53 2gk4 s VAL 43 Ca 0.41 -0.73 -0.04 0.00 0.00 0.00 0.00 61.98 61.62 2gk4 s VAL 43 Cb -0.18 -1.23 -0.00 0.00 0.00 0.00 0.00 36.38 34.97 2gk4 s VAL 43 CO 0.16 0.41 -0.03 0.00 0.00 0.00 0.00 175.10 175.64 2gk4 s LEU 45 N 1.47 3.64 -0.35 0.00 2.96 0.71 -0.79 118.68 126.32 2gk4 s LEU 45 Ca 0.05 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.66 2gk4 s LEU 45 Cb -0.15 -1.98 -0.01 0.00 0.50 0.00 0.00 46.19 44.56 2gk4 s LEU 45 CO -0.03 -0.05 0.24 -0.63 -1.32 0.00 0.00 176.35 174.57 2gk4 s ILE 46 N 1.65 5.17 0.00 6.68 1.01 0.68 -0.87 121.20 135.53 2gk4 s ILE 46 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.35 2gk4 s ILE 46 Cb -0.15 -3.72 -0.00 0.00 0.01 0.00 0.00 42.46 38.60 2gk4 s ILE 46 CO 0.06 -0.08 0.00 1.07 0.00 0.00 0.00 174.94 175.99 2gk4 n THR 47 N 5.10 0.00 -4.23 2.92 5.66 -0.26 -1.72 114.28 121.75 2gk4 n THR 47 Ca -0.12 -0.03 -0.13 0.00 -3.05 0.00 0.00 64.05 60.71 2gk4 n THR 47 Cb 0.49 0.02 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 2gk4 n THR 47 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 2gk4 s THR 48 N -1.99 0.41 0.18 1.09 -4.23 -1.25 -0.54 115.64 109.31 2gk4 s THR 48 Ca 0.01 -1.97 -0.14 0.00 -1.18 0.00 0.00 61.69 58.41 2gk4 s THR 48 Cb 0.00 -2.26 0.07 0.00 1.34 0.00 0.00 72.50 71.65 2gk4 s THR 48 CO 0.00 -0.31 1.77 0.50 -0.54 0.00 0.00 174.62 176.05 2gk4 h LYS 49 N 2.66 0.40 -0.00 3.99 1.63 -1.90 -2.72 116.57 120.63 2gk4 h LYS 49 Ca -0.37 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 2gk4 h LYS 49 Cb 1.22 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.76 2gk4 h LYS 49 CO 0.60 0.26 -0.07 0.54 -3.45 0.00 0.00 179.45 177.34 2gk4 n ARG 50 N -4.95 0.74 -2.44 1.90 1.74 -1.26 -4.91 116.66 107.48 2gk4 n ARG 50 Ca 0.04 -0.20 -0.37 0.00 -0.77 0.00 0.00 57.85 56.55 2gk4 n ARG 50 Cb 0.15 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2gk4 n ARG 50 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2gk4 s ALA 51 N -2.39 3.05 0.13 7.54 0.00 -1.03 -4.71 121.76 124.35 2gk4 s ALA 51 Ca 0.32 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.75 2gk4 s ALA 51 Cb 0.20 -3.31 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 2gk4 s ALA 51 CO 0.45 -0.37 1.50 -0.51 0.00 0.00 0.00 175.76 176.83 2gk4 s LEU 52 N -2.77 4.37 -0.07 0.00 1.43 0.42 -4.92 118.68 117.14 2gk4 s LEU 52 Ca 0.60 2.48 -0.02 0.00 -1.03 0.00 0.00 54.13 56.16 2gk4 s LEU 52 Cb -0.24 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2gk4 s LEU 52 CO 0.30 -0.76 0.04 -0.54 0.23 0.00 0.00 176.35 175.62 2gk4 s LYS 53 N 1.29 3.05 0.83 1.70 -0.14 -1.26 -4.67 119.74 120.54 2gk4 s LYS 53 Ca 0.68 -0.40 -0.11 0.00 -1.36 0.00 0.00 55.97 54.78 2gk4 s LYS 53 Cb -0.40 -2.85 0.09 0.00 -1.68 0.00 0.00 37.83 32.99 2gk4 s LYS 53 CO 0.31 0.70 1.13 -2.14 -0.76 0.00 0.00 175.35 174.59 2gk4 s PRO 54 N -1.12 1.67 0.62 -1.68 0.02 -1.26 -4.98 135.00 128.27 2gk4 s PRO 54 Ca 0.16 1.44 -0.18 0.00 0.02 0.00 0.00 61.00 62.44 2gk4 s PRO 54 Cb -0.12 -1.81 -0.02 0.00 0.02 0.00 0.00 34.50 32.58 2gk4 s PRO 54 CO 0.05 -2.12 1.20 -1.21 -0.33 0.00 0.00 177.00 174.58 2gk4 s GLU 55 N -4.61 2.82 0.38 5.54 0.41 -1.26 -4.95 118.70 117.03 2gk4 s GLU 55 Ca 0.66 1.76 -0.24 0.00 -0.41 0.00 0.00 54.97 56.74 2gk4 s GLU 55 Cb -0.22 -1.92 -0.12 0.00 -1.78 0.00 0.00 34.13 30.10 2gk4 s GLU 55 CO 0.55 -1.31 0.81 -2.30 -0.49 0.00 0.00 175.26 172.52 2gk4 n PRO 56 N -1.87 0.98 -3.71 0.39 -0.02 -1.26 -5.01 135.00 124.50 2gk4 n PRO 56 Ca 0.13 0.35 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 2gk4 n PRO 56 Cb 0.50 -1.75 -0.10 0.00 -0.02 0.00 0.00 33.50 32.13 2gk4 n PRO 56 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 2gk4 s HIS 57 N -1.29 -0.54 0.55 6.00 2.46 -1.26 -5.04 115.29 116.17 2gk4 s HIS 57 Ca 0.63 1.27 0.28 0.00 0.47 0.00 0.00 55.06 57.70 2gk4 s HIS 57 Cb -0.62 0.20 1.46 0.00 -0.13 0.00 0.00 32.58 33.49 2gk4 s HIS 57 CO 0.58 -0.27 1.96 -1.00 -2.47 0.00 0.00 174.74 173.53 2gk4 h PRO 58 N 5.78 0.00 -0.64 2.88 0.13 -2.01 -1.10 132.00 137.04 2gk4 h PRO 58 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2gk4 h PRO 58 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2gk4 h PRO 58 CO 0.23 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.09 2gk4 n ASN 59 N -4.12 3.73 -4.49 1.44 3.02 -1.26 -4.90 115.26 108.68 2gk4 n ASN 59 Ca 0.10 -2.00 -0.34 0.00 -0.03 0.00 0.00 54.58 52.32 2gk4 n ASN 59 Cb 0.67 -0.43 -0.12 0.00 -0.61 0.00 0.00 39.78 39.29 2gk4 n ASN 59 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2gk4 s LEU 60 N -1.02 3.15 -0.06 3.41 2.96 -0.42 -1.13 118.68 125.57 2gk4 s LEU 60 Ca 0.43 -0.14 0.05 0.00 -0.22 0.00 0.00 54.13 54.26 2gk4 s LEU 60 Cb 0.23 -1.74 -0.02 0.00 0.50 0.00 0.00 46.19 45.16 2gk4 s LEU 60 CO 0.30 0.21 -0.21 -0.44 -1.32 0.00 0.00 176.35 174.88 2gk4 s SER 61 N 0.13 3.41 -0.07 3.68 0.01 -0.71 -4.66 113.70 115.49 2gk4 s SER 61 Ca -0.02 -0.41 0.04 0.00 1.31 0.00 0.00 55.95 56.87 2gk4 s SER 61 Cb -0.14 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.19 2gk4 s SER 61 CO 0.03 0.27 -0.21 -0.63 0.41 0.00 0.00 173.24 173.11 2gk4 s ILE 62 N -0.28 2.43 -0.12 1.44 1.01 -1.26 -0.20 121.20 124.22 2gk4 s ILE 62 Ca 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 60.65 59.74 2gk4 s ILE 62 Cb -0.13 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.43 2gk4 s ILE 62 CO 0.03 0.57 -0.15 -0.60 0.00 0.00 0.00 174.94 174.78 2gk4 s ARG 63 N -0.18 2.31 -0.06 2.79 6.06 -0.05 -4.96 118.95 124.85 2gk4 s ARG 63 Ca -0.02 -0.59 -0.15 0.00 -2.50 0.00 0.00 55.73 52.47 2gk4 s ARG 63 Cb -0.14 -2.00 -0.05 0.00 0.06 0.00 0.00 34.95 32.82 2gk4 s ARG 63 CO 0.03 -0.11 0.39 -2.00 -2.50 0.00 0.00 175.30 171.11 2gk4 s GLU 64 N 1.13 4.07 0.35 5.12 2.12 -1.26 -1.11 118.70 129.11 2gk4 s GLU 64 Ca -0.03 0.34 0.04 0.00 0.36 0.00 0.00 54.97 55.68 2gk4 s GLU 64 Cb -0.14 -3.31 -0.07 0.00 0.26 0.00 0.00 34.13 30.87 2gk4 s GLU 64 CO -0.04 0.48 0.05 0.96 -0.54 0.00 0.00 175.26 176.16 2gk4 s ILE 65 N -0.37 1.35 0.01 -3.70 -4.36 0.30 -4.94 121.20 109.49 2gk4 s ILE 65 Ca 0.23 -2.00 -0.05 0.00 -0.26 0.00 0.00 60.65 58.56 2gk4 s ILE 65 Cb -0.15 -2.82 -0.02 0.00 1.25 0.00 0.00 42.46 40.72 2gk4 s ILE 65 CO 0.10 0.00 -0.10 0.41 0.24 0.00 0.00 174.94 175.60 2gk4 n THR 66 N -0.77 1.17 -4.51 8.37 -1.04 -1.26 -4.28 114.28 111.95 2gk4 n THR 66 Ca -0.03 0.30 -0.22 0.00 -2.04 0.00 0.00 64.05 62.06 2gk4 n THR 66 Cb 0.67 -1.75 -0.05 0.00 -1.82 0.00 0.00 70.33 67.38 2gk4 n THR 66 CO 0.00 0.00 0.00 -0.46 -0.64 0.00 0.00 175.07 173.97 2gk4 n ASN 67 N -3.65 2.82 0.06 8.00 0.23 -1.26 -0.85 115.26 120.61 2gk4 n ASN 67 Ca -0.04 -2.56 -0.04 0.00 -0.53 0.00 0.00 54.58 51.41 2gk4 n ASN 67 Cb 0.15 0.29 0.17 0.00 -2.08 0.00 0.00 39.78 38.31 2gk4 n ASN 67 CO 0.00 0.00 0.00 0.74 -0.93 0.00 0.00 177.26 177.07 2gk4 h THR 68 N 1.21 1.32 -0.40 5.53 2.02 -1.95 -1.94 112.91 118.70 2gk4 h THR 68 Ca -0.29 -1.62 0.03 0.00 0.77 0.00 0.00 66.41 65.31 2gk4 h THR 68 Cb 0.89 1.71 -0.04 0.00 -1.74 0.00 0.00 68.15 68.97 2gk4 h THR 68 CO 0.48 0.49 0.19 0.50 0.37 0.00 0.00 175.52 177.55 2gk4 h LYS 69 N 0.27 0.38 -0.76 6.66 3.64 -1.98 -0.31 116.57 124.48 2gk4 h LYS 69 Ca 0.02 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 2gk4 h LYS 69 Cb 0.89 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.57 2gk4 h LYS 69 CO 0.07 0.25 0.45 -0.44 -2.27 0.00 0.00 179.45 177.51 2gk4 h ASP 70 N 0.39 0.68 -0.38 4.20 3.32 -1.83 -2.08 116.42 120.73 2gk4 h ASP 70 Ca 0.17 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 2gk4 h ASP 70 Cb 0.09 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 2gk4 h ASP 70 CO -0.13 0.44 0.05 0.25 -1.72 0.00 0.00 179.24 178.13 2gk4 h LEU 71 N 0.82 0.61 -0.25 1.55 5.85 -0.71 -1.43 115.31 121.75 2gk4 h LEU 71 Ca 0.34 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.85 2gk4 h LEU 71 Cb 0.19 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.00 2gk4 h LEU 71 CO -0.18 0.72 -0.13 0.25 -0.34 0.00 0.00 178.44 178.76 2gk4 h LEU 72 N 0.47 -0.44 -0.62 2.25 7.12 -0.78 -2.67 115.31 120.64 2gk4 h LEU 72 Ca 0.11 0.10 -0.00 0.00 0.13 0.00 0.00 57.88 58.23 2gk4 h LEU 72 Cb 0.38 0.24 -0.03 0.00 -0.53 0.00 0.00 40.66 40.71 2gk4 h LEU 72 CO 0.01 -0.17 0.38 0.40 -0.13 0.00 0.00 178.44 178.94 2gk4 h ILE 73 N -0.10 1.17 0.00 4.05 2.04 -1.16 -0.85 117.51 122.67 2gk4 h ILE 73 Ca 0.14 -0.36 0.00 0.00 1.00 0.00 0.00 64.86 65.63 2gk4 h ILE 73 Cb 0.31 0.31 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2gk4 h ILE 73 CO -0.32 0.18 0.00 -0.62 0.00 0.00 0.00 178.15 177.39 2gk4 n GLU 74 N -4.62 0.13 0.00 2.37 -0.58 -0.56 -1.46 120.64 115.92 2gk4 n GLU 74 Ca 0.04 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.78 2gk4 n GLU 74 Cb 0.04 -1.11 0.00 0.00 -0.57 0.00 0.00 31.44 29.81 2gk4 n GLU 74 CO 0.00 0.00 0.00 0.94 -0.48 0.00 0.00 177.13 177.59 2gk4 n GLN 76 N 0.49 0.00 0.04 3.49 7.27 -0.32 -0.57 117.38 127.77 2gk4 n GLN 76 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 57.00 56.94 2gk4 n GLN 76 Cb 0.04 0.00 -0.09 0.00 2.41 0.00 0.00 30.24 32.60 2gk4 n GLN 76 CO 0.00 0.00 0.00 1.49 0.07 0.00 0.00 177.06 178.62 2gk4 h GLU 77 N 0.00 -0.09 0.00 3.69 4.81 -1.50 -3.40 114.58 118.09 2gk4 h GLU 77 Ca 0.00 0.01 -0.21 0.00 -0.13 0.00 0.00 59.36 59.02 2gk4 h GLU 77 Cb 0.00 0.02 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 2gk4 h GLU 77 CO 0.00 0.23 -1.62 0.54 -0.73 0.00 0.00 179.01 177.43 2gk4 n ARG 78 N -4.98 0.63 -0.05 1.92 1.74 0.26 -4.44 116.66 111.74 2gk4 n ARG 78 Ca -0.08 0.20 0.06 0.00 -0.77 0.00 0.00 57.85 57.25 2gk4 n ARG 78 Cb 0.20 -1.76 0.42 0.00 -1.02 0.00 0.00 32.46 30.30 2gk4 n ARG 78 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 2gk4 h VAL 79 N 0.00 1.05 0.00 1.55 2.07 -1.77 0.12 116.25 119.27 2gk4 h VAL 79 Ca -0.23 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.10 2gk4 h VAL 79 Cb 1.74 0.43 0.00 0.00 -1.52 0.00 0.00 31.29 31.94 2gk4 h VAL 79 CO 0.05 0.10 0.00 0.00 0.02 0.00 0.00 177.57 177.74 2gk4 n GLN 80 N -4.47 0.01 0.00 1.57 6.02 -1.26 -2.64 117.38 116.61 2gk4 n GLN 80 Ca 0.06 0.34 0.07 0.00 -0.01 0.00 0.00 57.00 57.46 2gk4 n GLN 80 Cb 0.15 -1.50 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 2gk4 n GLN 80 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 2gk4 n ASP 81 N -1.48 1.15 -4.49 1.08 8.00 0.43 -5.00 116.55 116.24 2gk4 n ASP 81 Ca 0.02 -1.08 -0.27 0.00 0.71 0.00 0.00 54.79 54.18 2gk4 n ASP 81 Cb 0.09 0.72 -0.11 0.00 -0.02 0.00 0.00 41.12 41.81 2gk4 n ASP 81 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2gk4 s TYR 82 N -2.07 2.44 -0.40 1.24 1.51 -1.08 -4.88 117.35 114.12 2gk4 s TYR 82 Ca 0.09 -0.30 0.21 0.00 -1.01 0.00 0.00 57.07 56.06 2gk4 s TYR 82 Cb 0.12 -1.19 -0.29 0.00 -0.11 0.00 0.00 41.96 40.48 2gk4 s TYR 82 CO 0.48 0.51 0.63 1.04 -1.11 0.00 0.00 175.55 177.10 2gk4 n GLN 83 N 0.13 0.45 -3.87 -0.62 3.00 -0.29 -4.78 117.38 111.40 2gk4 n GLN 83 Ca -0.11 -0.12 -0.12 0.00 -0.01 0.00 0.00 57.00 56.63 2gk4 n GLN 83 Cb 0.56 -1.50 -0.14 0.00 0.00 0.00 0.00 30.24 29.16 2gk4 n GLN 83 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.06 177.14 2gk4 s VAL 84 N -3.29 -0.00 -0.15 5.09 1.01 -1.15 -1.24 120.40 120.67 2gk4 s VAL 84 Ca -0.02 0.00 0.02 0.00 0.00 0.00 0.00 61.98 61.98 2gk4 s VAL 84 Cb 0.15 -0.02 0.01 0.00 0.00 0.00 0.00 36.38 36.52 2gk4 s VAL 84 CO 0.88 0.00 -0.21 -0.22 0.00 0.00 0.00 175.10 175.55 2gk4 s LEU 85 N 0.02 2.08 -0.44 3.92 2.96 -0.08 -0.51 118.68 126.63 2gk4 s LEU 85 Ca -0.00 -0.61 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 2gk4 s LEU 85 Cb -0.00 -1.43 0.11 0.00 0.50 0.00 0.00 46.19 45.37 2gk4 s LEU 85 CO -0.00 0.04 0.27 -0.63 -1.32 0.00 0.00 176.35 174.71 2gk4 s ILE 86 N 1.03 3.72 -0.70 6.68 1.01 0.23 -0.33 121.20 132.83 2gk4 s ILE 86 Ca -0.02 -1.91 -0.18 0.00 0.00 0.00 0.00 60.65 58.53 2gk4 s ILE 86 Cb -0.14 -3.49 0.13 0.00 0.01 0.00 0.00 42.46 38.96 2gk4 s ILE 86 CO -0.06 -0.72 0.82 -2.28 0.00 0.00 0.00 174.94 172.70 2gk4 s HIS 87 N 1.25 3.13 -0.72 3.97 2.46 0.49 -1.08 115.29 124.78 2gk4 s HIS 87 Ca 0.07 -1.19 -0.03 0.00 0.47 0.00 0.00 55.06 54.37 2gk4 s HIS 87 Cb -0.24 -4.06 0.18 0.00 -0.13 0.00 0.00 32.58 28.33 2gk4 s HIS 87 CO -0.02 -1.31 0.57 -1.54 -2.47 0.00 0.00 174.74 169.96 2gk4 s SER 88 N 3.40 5.55 -0.16 9.88 1.04 -0.74 -3.51 113.70 129.16 2gk4 s SER 88 Ca 0.18 -3.13 -0.00 0.00 0.48 0.00 0.00 55.95 53.47 2gk4 s SER 88 Cb -0.17 -1.89 0.04 0.00 0.10 0.00 0.00 66.02 64.09 2gk4 s SER 88 CO 0.01 -0.32 -0.06 0.00 0.98 0.00 0.00 173.24 173.84 2gk4 s ALA 90 N -0.47 1.54 -0.20 5.32 0.00 0.29 -4.53 121.76 123.71 2gk4 s ALA 90 Ca 0.20 -0.85 -0.07 0.00 0.00 0.00 0.00 51.96 51.24 2gk4 s ALA 90 Cb -0.15 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.81 2gk4 s ALA 90 CO -0.07 -0.73 0.06 0.08 0.00 0.00 0.00 175.76 175.10 2gk4 s VAL 91 N 1.61 4.60 0.18 0.00 1.01 -1.26 -1.98 120.40 124.55 2gk4 s VAL 91 Ca 0.01 -0.09 -0.33 0.00 0.00 0.00 0.00 61.98 61.56 2gk4 s VAL 91 Cb -0.15 -3.09 -0.15 0.00 0.00 0.00 0.00 36.38 32.99 2gk4 s VAL 91 CO -0.08 0.43 1.39 -1.20 0.00 0.00 0.00 175.10 175.63 2gk4 n SER 92 N 3.92 2.33 0.15 3.32 7.64 -1.26 -4.89 113.62 124.83 2gk4 n SER 92 Ca -0.16 1.12 0.12 0.00 1.01 0.00 0.00 58.87 60.96 2gk4 n SER 92 Cb 0.52 -1.34 0.12 0.00 -1.01 0.00 0.00 64.21 62.50 2gk4 n SER 92 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 2gk4 h ASP 93 N 4.54 0.00 -4.78 6.43 3.32 -1.96 -3.43 116.42 120.55 2gk4 h ASP 93 Ca -0.45 -0.02 -0.26 0.00 0.02 0.00 0.00 57.03 56.32 2gk4 h ASP 93 Cb 1.30 0.00 -0.21 0.00 0.22 0.00 0.00 39.33 40.64 2gk4 h ASP 93 CO 0.78 0.01 -0.73 -0.31 -1.72 0.00 0.00 179.24 177.27 2gk4 s TYR 94 N -3.26 0.65 0.00 4.55 1.51 -1.26 -1.65 117.35 117.89 2gk4 s TYR 94 Ca 0.04 -0.53 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 2gk4 s TYR 94 Cb 0.08 -0.39 -0.01 0.00 -0.11 0.00 0.00 41.96 41.53 2gk4 s TYR 94 CO 0.72 -0.10 -0.10 -0.08 -1.11 0.00 0.00 175.55 174.88 2gk4 s THR 95 N -1.52 0.80 0.34 -0.71 -1.32 -0.03 -4.83 115.64 108.37 2gk4 s THR 95 Ca -0.09 -0.53 -0.28 0.00 -1.21 0.00 0.00 61.69 59.57 2gk4 s THR 95 Cb -0.09 -0.69 -0.12 0.00 -1.51 0.00 0.00 72.50 70.09 2gk4 s THR 95 CO -0.00 0.15 1.27 -2.65 -2.21 0.00 0.00 174.62 171.18 2gk4 n PRO 96 N 2.63 2.06 -0.01 7.08 -0.02 -1.26 -1.31 135.00 144.17 2gk4 n PRO 96 Ca -0.15 0.72 -0.03 0.00 -2.02 0.00 0.00 63.50 62.03 2gk4 n PRO 96 Cb 0.56 -2.29 -0.01 0.00 -0.02 0.00 0.00 33.50 31.74 2gk4 n PRO 96 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2gk4 n VAL 97 N 0.31 0.15 -3.98 -1.45 0.31 0.27 -4.81 118.33 109.14 2gk4 n VAL 97 Ca 0.05 -0.04 -0.13 0.00 -0.01 0.00 0.00 64.34 64.21 2gk4 n VAL 97 Cb 0.36 -1.53 -0.02 0.00 -0.91 0.00 0.00 33.84 31.74 2gk4 n VAL 97 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2gk4 n TYR 98 N -3.12 -1.58 0.00 3.52 4.19 -1.12 -4.44 117.16 114.60 2gk4 n TYR 98 Ca -0.06 -2.16 0.00 0.00 3.31 0.00 0.00 57.90 59.00 2gk4 n TYR 98 Cb 0.54 0.60 0.00 0.00 0.49 0.00 0.00 39.34 40.97 2gk4 n TYR 98 CO 0.00 0.00 0.00 -2.37 0.91 0.00 0.00 176.86 175.40 2gk4 n THR 100 N -0.54 0.00 -2.67 2.97 5.66 -0.36 -0.76 114.28 118.59 2gk4 n THR 100 Ca -0.01 0.00 -0.32 0.00 -3.05 0.00 0.00 64.05 60.67 2gk4 n THR 100 Cb 0.56 0.00 -0.04 0.00 -1.55 0.00 0.00 70.33 69.30 2gk4 n THR 100 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2gk4 s GLY 101 N 0.00 2.09 0.36 1.09 0.00 -1.00 -0.29 107.32 109.56 2gk4 s GLY 101 Ca 0.00 0.07 0.07 0.00 0.00 0.00 0.00 44.72 44.86 2gk4 s GLY 101 CO 0.00 0.31 1.92 -2.00 0.00 0.00 0.00 173.10 173.33 2gk4 h LEU 102 N 1.27 0.67 -0.46 0.66 5.85 -1.66 -2.88 115.31 118.76 2gk4 h LEU 102 Ca -0.47 0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.27 2gk4 h LEU 102 Cb 1.18 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 2gk4 h LEU 102 CO 0.63 0.40 0.30 1.05 -0.34 0.00 0.00 178.44 180.47 2gk4 h GLU 103 N 0.74 0.59 -0.84 1.25 9.09 -1.93 0.14 114.58 123.63 2gk4 h GLU 103 Ca 0.38 -0.04 0.03 0.00 0.05 0.00 0.00 59.36 59.78 2gk4 h GLU 103 Cb 0.46 -0.13 -0.05 0.00 -1.65 0.00 0.00 28.75 27.38 2gk4 h GLU 103 CO -0.15 0.39 0.54 1.49 0.05 0.00 0.00 179.01 181.34 2gk4 h GLU 104 N 0.61 1.02 -0.38 1.06 4.81 -1.81 -1.54 114.58 118.35 2gk4 h GLU 104 Ca 0.17 -0.06 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2gk4 h GLU 104 Cb -0.06 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 29.07 2gk4 h GLU 104 CO -0.04 0.68 0.10 0.28 -0.73 0.00 0.00 179.01 179.29 2gk4 h VAL 105 N 1.05 1.23 -0.38 0.32 2.07 -1.32 -2.93 116.25 116.29 2gk4 h VAL 105 Ca 0.33 -0.77 0.01 0.00 0.82 0.00 0.00 66.70 67.10 2gk4 h VAL 105 Cb 0.00 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 2gk4 h VAL 105 CO -0.11 0.26 0.25 1.56 0.02 0.00 0.00 177.57 179.55 2gk4 h GLN 106 N 0.48 0.46 0.00 1.57 4.20 -0.39 -2.33 115.11 119.10 2gk4 h GLN 106 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.80 2gk4 h GLN 106 Cb 0.30 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2gk4 h GLN 106 CO 0.00 0.30 -0.06 0.00 -0.67 0.00 0.00 178.83 178.40 2gk4 n ALA 107 N -2.49 2.43 -1.78 3.87 0.00 -0.61 -4.88 120.51 117.05 2gk4 n ALA 107 Ca 0.03 -0.10 -0.37 0.00 0.00 0.00 0.00 53.44 53.00 2gk4 n ALA 107 Cb 0.10 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.07 2gk4 n ALA 107 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2gk4 s SER 108 N -3.51 6.98 0.00 0.00 0.15 -0.88 -4.95 113.70 111.49 2gk4 s SER 108 Ca 0.12 2.01 0.20 0.00 0.70 0.00 0.00 55.95 58.99 2gk4 s SER 108 Cb 0.17 -2.59 0.10 0.00 -1.71 0.00 0.00 66.02 61.99 2gk4 s SER 108 CO 0.57 -0.33 1.09 -1.54 1.20 0.00 0.00 173.24 174.23 2gk4 n SER 109 N 0.27 2.40 -3.15 5.45 3.41 -1.26 -4.83 113.62 115.90 2gk4 n SER 109 Ca 0.03 -1.70 0.04 0.00 -0.26 0.00 0.00 58.87 56.99 2gk4 n SER 109 Cb 0.49 0.16 -0.01 0.00 -0.26 0.00 0.00 64.21 64.60 2gk4 n SER 109 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 2gk4 s ASN 110 N -1.87 -1.27 0.58 4.04 3.84 -1.26 -5.04 114.94 113.96 2gk4 s ASN 110 Ca 0.21 0.50 0.35 0.00 0.21 0.00 0.00 52.86 54.13 2gk4 s ASN 110 Cb 0.16 1.95 1.71 0.00 -0.55 0.00 0.00 41.25 44.52 2gk4 s ASN 110 CO 0.33 -0.23 2.13 -0.07 -2.79 0.00 0.00 177.10 176.47 2gk4 h LEU 111 N 7.94 0.00 -2.64 3.21 4.07 -1.95 -1.63 115.31 124.31 2gk4 h LEU 111 Ca -0.13 0.00 -0.00 0.00 0.08 0.00 0.00 57.88 57.83 2gk4 h LEU 111 Cb 1.17 0.00 -0.00 0.00 1.08 0.00 0.00 40.66 42.91 2gk4 h LEU 111 CO 0.15 0.04 -0.01 0.11 -1.08 0.00 0.00 178.44 177.65 2gk4 h LYS 112 N 0.00 0.00 -0.70 1.13 1.57 -2.02 -1.95 116.57 114.60 2gk4 h LYS 112 Ca -0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 2gk4 h LYS 112 Cb 0.31 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 2gk4 h LYS 112 CO 0.01 0.01 0.48 1.05 -0.57 0.00 0.00 179.45 180.43 2gk4 h GLU 113 N 0.00 0.28 0.00 3.15 4.11 -1.73 -1.92 114.58 118.46 2gk4 h GLU 113 Ca -0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 2gk4 h GLU 113 Cb 0.08 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.27 2gk4 h GLU 113 CO 0.00 0.19 0.00 0.74 0.07 0.00 0.00 179.01 180.01 2gk4 h PHE 114 N 0.29 0.00 0.00 2.06 -1.00 -1.57 -2.81 116.94 113.90 2gk4 h PHE 114 Ca 0.34 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.12 2gk4 h PHE 114 Cb 0.93 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.49 2gk4 h PHE 114 CO -0.00 0.00 0.00 -0.07 -1.61 0.00 0.00 178.31 176.63 2gk4 h LEU 115 N 0.00 0.00 -2.93 1.54 3.38 -1.52 -3.05 115.31 112.73 2gk4 h LEU 115 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gk4 h LEU 115 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2gk4 h LEU 115 CO 0.00 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 176.99 2gk4 n SER 116 N -2.35 3.27 -4.91 -0.43 3.41 -1.06 -5.00 113.62 106.56 2gk4 n SER 116 Ca 0.04 -2.14 -0.21 0.00 -0.26 0.00 0.00 58.87 56.30 2gk4 n SER 116 Cb 0.35 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2gk4 n SER 116 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2gk4 s LYS 117 N -1.26 2.98 0.14 4.33 1.02 -1.15 -5.14 119.74 120.66 2gk4 s LYS 117 Ca 0.30 -1.09 0.09 0.00 0.02 0.00 0.00 55.97 55.29 2gk4 s LYS 117 Cb 0.17 -2.65 -0.04 0.00 -0.52 0.00 0.00 37.83 34.79 2gk4 s LYS 117 CO 0.18 0.18 -0.16 -0.65 -0.92 0.00 0.00 175.35 173.98 2gk4 s GLN 118 N -4.02 1.83 0.41 1.68 -1.52 -1.26 -4.75 119.66 112.04 2gk4 s GLN 118 Ca 0.40 -1.25 0.18 0.00 -1.95 0.00 0.00 55.36 52.74 2gk4 s GLN 118 Cb -0.08 -2.09 1.09 0.00 -0.22 0.00 0.00 33.01 31.70 2gk4 s GLN 118 CO 0.28 0.46 1.84 -0.91 -0.25 0.00 0.00 175.29 176.71 2gk4 h ASN 119 N 3.43 0.42 0.33 5.90 2.35 -1.98 -0.55 115.58 125.48 2gk4 h ASN 119 Ca -0.48 0.05 0.00 0.00 -0.55 0.00 0.00 56.30 55.31 2gk4 h ASN 119 Cb 1.18 -0.03 0.00 0.00 0.05 0.00 0.00 38.32 39.53 2gk4 h ASN 119 CO 0.49 0.15 0.00 0.00 -1.65 0.00 0.00 177.43 176.42 2gk4 n HIS 120 N -4.53 0.24 0.83 1.19 1.44 -1.26 -1.39 115.22 111.74 2gk4 n HIS 120 Ca 0.20 0.11 0.12 0.00 -2.01 0.00 0.00 57.72 56.14 2gk4 n HIS 120 Cb 0.73 -0.67 0.24 0.00 0.12 0.00 0.00 29.99 30.40 2gk4 n HIS 120 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 2gk4 n GLN 121 N -1.73 0.11 -2.32 -1.40 6.02 -0.21 -5.00 117.38 112.85 2gk4 n GLN 121 Ca 0.02 0.03 -0.39 0.00 -0.01 0.00 0.00 57.00 56.64 2gk4 n GLN 121 Cb 0.11 -1.57 -0.03 0.00 1.02 0.00 0.00 30.24 29.78 2gk4 n GLN 121 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gk4 s ALA 122 N -3.07 3.33 -0.86 -1.58 0.00 -0.49 -4.98 121.76 114.11 2gk4 s ALA 122 Ca 0.09 1.01 -0.17 0.00 0.00 0.00 0.00 51.96 52.89 2gk4 s ALA 122 Cb 0.16 -3.38 0.15 0.00 0.00 0.00 0.00 23.12 20.05 2gk4 s ALA 122 CO 0.70 -0.42 0.97 0.15 0.00 0.00 0.00 175.76 177.17 2gk4 s LYS 123 N -1.89 3.54 -0.02 0.00 1.02 -1.26 -5.01 119.74 116.12 2gk4 s LYS 123 Ca 0.51 -1.91 0.02 0.00 0.02 0.00 0.00 55.97 54.61 2gk4 s LYS 123 Cb -0.33 -4.69 0.00 0.00 -0.52 0.00 0.00 37.83 32.29 2gk4 s LYS 123 CO 0.43 -1.61 -0.08 0.96 -0.92 0.00 0.00 175.35 174.13 2gk4 s ILE 124 N 1.96 0.71 0.15 2.17 -4.36 -1.26 -2.38 121.20 118.18 2gk4 s ILE 124 Ca 0.26 -0.33 -0.11 0.00 -0.26 0.00 0.00 60.65 60.21 2gk4 s ILE 124 Cb -0.09 -0.63 0.00 0.00 1.25 0.00 0.00 42.46 43.00 2gk4 s ILE 124 CO -0.07 0.22 0.31 -0.94 0.24 0.00 0.00 174.94 174.69 2gk4 s SER 125 N 0.12 -0.01 0.34 4.36 1.04 -1.26 -5.02 113.70 113.28 2gk4 s SER 125 Ca -0.02 -0.71 0.25 0.00 0.48 0.00 0.00 55.95 55.95 2gk4 s SER 125 Cb -0.07 0.44 1.22 0.00 0.10 0.00 0.00 66.02 67.70 2gk4 s SER 125 CO 0.00 -0.87 1.75 0.77 0.98 0.00 0.00 173.24 175.88 2gk4 h SER 126 N 2.53 0.00 1.60 7.02 4.64 -2.03 -1.29 113.55 126.02 2gk4 h SER 126 Ca -0.32 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 60.97 2gk4 h SER 126 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.31 2gk4 h SER 126 CO 0.49 0.00 -0.14 0.71 -0.87 0.00 0.00 176.83 177.01 2gk4 h THR 127 N 0.00 0.27 -2.20 2.95 1.35 -2.02 -3.45 112.91 109.81 2gk4 h THR 127 Ca 0.00 -1.22 -0.59 0.00 -0.55 0.00 0.00 66.41 64.05 2gk4 h THR 127 Cb 0.16 1.99 0.04 0.00 -1.73 0.00 0.00 68.15 68.61 2gk4 h THR 127 CO 0.00 0.14 0.98 0.47 -0.25 0.00 0.00 175.52 176.87 2gk4 n ASP 128 N -3.16 3.41 0.19 5.36 10.43 -0.49 -4.85 116.55 127.44 2gk4 n ASP 128 Ca 0.03 1.02 0.06 0.00 2.57 0.00 0.00 54.79 58.47 2gk4 n ASP 128 Cb 0.53 -1.42 0.35 0.00 1.84 0.00 0.00 41.12 42.42 2gk4 n ASP 128 CO 0.00 0.00 0.00 -0.33 -1.07 0.00 0.00 177.20 175.80 2gk4 h GLU 129 N 7.85 0.00 -4.02 -1.24 4.39 -1.89 -3.45 114.58 116.22 2gk4 h GLU 129 Ca -0.47 0.00 -0.33 0.00 0.34 0.00 0.00 59.36 58.90 2gk4 h GLU 129 Cb 1.26 0.00 -0.31 0.00 -0.10 0.00 0.00 28.75 29.60 2gk4 h GLU 129 CO 0.92 0.35 -0.75 0.08 -1.16 0.00 0.00 179.01 178.45 2gk4 s VAL 130 N -3.61 0.31 0.24 3.13 1.01 -1.26 -5.10 120.40 115.12 2gk4 s VAL 130 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 61.98 62.00 2gk4 s VAL 130 Cb 0.11 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 36.12 2gk4 s VAL 130 CO 0.68 0.13 -0.15 0.00 0.00 0.00 0.00 175.10 175.76 2gk4 s GLN 131 N 0.40 1.84 -0.06 2.72 -2.07 -1.26 -1.73 119.66 119.50 2gk4 s GLN 131 Ca -0.04 -1.54 -0.00 0.00 -1.82 0.00 0.00 55.36 51.96 2gk4 s GLN 131 Cb -0.07 -1.94 0.02 0.00 -1.09 0.00 0.00 33.01 29.93 2gk4 s GLN 131 CO -0.01 0.37 -0.03 0.08 -1.32 0.00 0.00 175.29 174.39 2gk4 s VAL 132 N -2.11 0.53 -0.16 3.63 1.01 0.60 -4.85 120.40 119.05 2gk4 s VAL 132 Ca 0.27 -0.04 -0.03 0.00 0.00 0.00 0.00 61.98 62.18 2gk4 s VAL 132 Cb -0.07 -0.61 -0.02 0.00 0.00 0.00 0.00 36.38 35.69 2gk4 s VAL 132 CO 0.15 0.26 -0.07 -0.22 0.00 0.00 0.00 175.10 175.22 2gk4 s LEU 133 N 1.43 2.99 -0.14 3.92 2.96 -1.26 -1.22 118.68 127.35 2gk4 s LEU 133 Ca -0.03 -0.26 -0.10 0.00 -0.22 0.00 0.00 54.13 53.52 2gk4 s LEU 133 Cb -0.13 -1.72 -0.05 0.00 0.50 0.00 0.00 46.19 44.79 2gk4 s LEU 133 CO -0.03 0.12 0.20 -0.36 -1.32 0.00 0.00 176.35 174.96 2gk4 s PHE 134 N 0.65 3.52 0.02 5.38 0.40 0.06 -5.01 117.98 123.00 2gk4 s PHE 134 Ca -0.04 0.52 0.05 0.00 -0.60 0.00 0.00 56.93 56.86 2gk4 s PHE 134 Cb -0.15 -2.14 -0.02 0.00 0.51 0.00 0.00 43.02 41.23 2gk4 s PHE 134 CO 0.02 0.47 -0.15 -0.51 0.70 0.00 0.00 175.22 175.75 2gk4 s LEU 135 N -0.23 2.10 0.30 -0.37 1.02 -1.26 -0.57 118.68 119.67 2gk4 s LEU 135 Ca 0.14 -0.37 0.08 0.00 0.02 0.00 0.00 54.13 54.00 2gk4 s LEU 135 Cb -0.12 -0.69 -0.04 0.00 0.02 0.00 0.00 46.19 45.36 2gk4 s LEU 135 CO 0.03 0.11 0.19 -1.59 0.02 0.00 0.00 176.35 175.11 2gk4 s LYS 136 N -0.77 2.65 0.34 1.70 -2.85 -0.43 -4.85 119.74 115.53 2gk4 s LYS 136 Ca 0.04 -1.29 -0.28 0.00 -1.00 0.00 0.00 55.97 53.43 2gk4 s LYS 136 Cb -0.07 -2.39 -0.12 0.00 -2.06 0.00 0.00 37.83 33.19 2gk4 s LYS 136 CO 0.00 0.23 1.28 1.63 0.10 0.00 0.00 175.35 178.60 2gk4 n LYS 137 N -1.20 2.11 -1.63 1.78 5.02 -1.26 -0.85 118.16 122.13 2gk4 n LYS 137 Ca -0.05 0.74 -0.30 0.00 -2.02 0.00 0.00 58.31 56.68 2gk4 n LYS 137 Cb 0.59 -2.31 0.07 0.00 -0.02 0.00 0.00 35.03 33.36 2gk4 n LYS 137 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2gk4 s THR 138 N -1.08 3.45 0.55 -0.18 -4.23 -0.66 -4.75 115.64 108.74 2gk4 s THR 138 Ca 0.56 0.47 -0.20 0.00 -1.18 0.00 0.00 61.69 61.33 2gk4 s THR 138 Cb -0.57 -3.27 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 2gk4 s THR 138 CO 0.62 -0.61 1.22 -2.16 -0.54 0.00 0.00 174.62 173.15 2gk4 s PRO 139 N -5.16 3.22 0.36 3.99 0.04 -1.26 -4.98 135.00 131.21 2gk4 s PRO 139 Ca 0.59 1.89 -0.28 0.00 0.04 0.00 0.00 61.00 63.24 2gk4 s PRO 139 Cb -0.14 -2.12 -0.11 0.00 0.04 0.00 0.00 34.50 32.17 2gk4 s PRO 139 CO 0.54 -1.03 1.46 1.63 0.04 0.00 0.00 177.00 179.65 2gk4 n LYS 140 N -1.19 2.58 0.08 4.56 5.02 -1.26 -4.91 118.16 123.04 2gk4 n LYS 140 Ca 0.11 0.91 0.00 0.00 -2.02 0.00 0.00 58.31 57.31 2gk4 n LYS 140 Cb 0.48 -2.62 0.00 0.00 -0.02 0.00 0.00 35.03 32.88 2gk4 n LYS 140 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2gk4 n ILE 141 N 0.55 0.29 -0.11 -0.18 5.41 -1.26 -4.85 119.36 119.21 2gk4 n ILE 141 Ca 0.02 0.10 0.05 0.00 1.00 0.00 0.00 62.75 63.92 2gk4 n ILE 141 Cb 0.38 -0.70 0.38 0.00 -0.71 0.00 0.00 39.64 38.99 2gk4 n ILE 141 CO 0.00 0.00 0.00 0.40 0.00 0.00 0.00 176.55 176.95 2gk4 h ILE 142 N 0.00 1.06 0.00 1.39 1.08 -2.00 0.70 117.51 119.75 2gk4 h ILE 142 Ca 0.00 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.24 2gk4 h ILE 142 Cb 0.00 0.32 0.00 0.00 -3.07 0.00 0.00 36.82 34.07 2gk4 h ILE 142 CO 0.00 0.12 0.00 -1.54 -0.69 0.00 0.00 178.15 176.04 2gk4 n SER 143 N -4.47 0.18 0.05 1.72 3.41 -1.26 -1.44 113.62 111.80 2gk4 n SER 143 Ca 0.07 0.56 0.12 0.00 -0.26 0.00 0.00 58.87 59.36 2gk4 n SER 143 Cb 0.15 -0.59 0.14 0.00 -0.26 0.00 0.00 64.21 63.66 2gk4 n SER 143 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2gk4 n LEU 144 N -1.71 0.65 -0.12 1.04 4.77 0.24 -4.52 117.00 117.36 2gk4 n LEU 144 Ca 0.02 0.14 -0.05 0.00 -0.03 0.00 0.00 56.01 56.09 2gk4 n LEU 144 Cb 0.13 -0.17 0.03 0.00 -2.33 0.00 0.00 43.42 41.08 2gk4 n LEU 144 CO 0.11 -0.01 0.91 0.58 -1.33 0.00 0.00 177.39 177.65 2gk4 h VAL 145 N 0.00 0.82 0.00 4.08 2.07 -1.23 -0.55 116.25 121.43 2gk4 h VAL 145 Ca 0.00 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2gk4 h VAL 145 Cb 0.71 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2gk4 h VAL 145 CO 0.00 0.04 0.00 0.11 0.02 0.00 0.00 177.57 177.74 2gk4 h LYS 146 N 0.23 0.00 0.21 1.57 1.79 -1.78 0.60 116.57 119.19 2gk4 h LYS 146 Ca 0.19 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.65 2gk4 h LYS 146 Cb 0.21 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.86 2gk4 h LYS 146 CO -0.23 0.00 -0.10 0.93 -1.08 0.00 0.00 179.45 178.97 2gk4 h GLU 147 N 0.00 -0.27 -0.88 3.15 5.08 -1.41 -2.28 114.58 117.98 2gk4 h GLU 147 Ca 0.00 0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 2gk4 h GLU 147 Cb 0.53 0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.80 2gk4 h GLU 147 CO 0.00 0.11 0.58 -1.49 -1.00 0.00 0.00 179.01 177.21 2gk4 h TRP 148 N -0.75 1.09 -2.19 4.33 6.55 -0.82 -3.38 115.95 120.78 2gk4 h TRP 148 Ca -0.03 0.03 -0.43 0.00 0.95 0.00 0.00 58.89 59.41 2gk4 h TRP 148 Cb 0.50 -0.37 -0.34 0.00 -0.86 0.00 0.00 29.16 28.10 2gk4 h TRP 148 CO 0.05 0.67 -0.73 1.21 -1.05 0.00 0.00 178.44 178.60 2gk4 s ASN 149 N -6.22 1.85 0.57 -3.49 3.84 0.17 -4.54 114.94 107.12 2gk4 s ASN 149 Ca -0.12 -1.60 0.27 0.00 0.21 0.00 0.00 52.86 51.62 2gk4 s ASN 149 Cb 0.18 0.25 1.62 0.00 -0.55 0.00 0.00 41.25 42.75 2gk4 s ASN 149 CO 0.80 -0.30 2.13 -0.65 -2.79 0.00 0.00 177.10 176.29 2gk4 h PRO 150 N 7.30 0.00 -0.02 0.43 0.11 -1.59 -2.64 132.00 135.58 2gk4 h PRO 150 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2gk4 h PRO 150 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 2gk4 h PRO 150 CO 0.25 0.00 -0.08 0.25 -0.21 0.00 0.00 178.00 178.21 2gk4 n THR 151 N -3.97 0.00 -2.02 -1.15 -2.24 -1.26 -4.96 114.28 98.68 2gk4 n THR 151 Ca 0.01 -0.41 -0.39 0.00 -2.27 0.00 0.00 64.05 60.99 2gk4 n THR 151 Cb 0.27 1.25 0.01 0.00 -2.10 0.00 0.00 70.33 69.75 2gk4 n THR 151 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2gk4 s ILE 152 N -2.09 2.56 -0.39 2.28 2.07 -1.00 -4.97 121.20 119.67 2gk4 s ILE 152 Ca 0.28 0.47 -0.24 0.00 -1.41 0.00 0.00 60.65 59.75 2gk4 s ILE 152 Cb 0.20 -3.26 0.01 0.00 0.13 0.00 0.00 42.46 39.54 2gk4 s ILE 152 CO 0.35 0.04 0.82 -1.00 -1.91 0.00 0.00 174.94 173.25 2gk4 s HIS 153 N -1.32 3.06 -0.27 3.50 3.76 -0.37 -4.97 115.29 118.68 2gk4 s HIS 153 Ca 0.61 0.50 -0.11 0.00 -0.15 0.00 0.00 55.06 55.92 2gk4 s HIS 153 Cb -0.37 -3.55 -0.05 0.00 1.11 0.00 0.00 32.58 29.72 2gk4 s HIS 153 CO 0.46 -0.83 0.20 -1.17 -0.85 0.00 0.00 174.74 172.55 2gk4 s LEU 154 N 3.27 4.04 -0.17 0.89 2.96 -1.26 -0.90 118.68 127.50 2gk4 s LEU 154 Ca 0.33 0.02 0.01 0.00 -0.22 0.00 0.00 54.13 54.28 2gk4 s LEU 154 Cb -0.12 -2.13 0.01 0.00 0.50 0.00 0.00 46.19 44.45 2gk4 s LEU 154 CO 0.19 -0.04 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.36 2gk4 s ILE 155 N 1.67 2.16 0.53 6.68 1.01 0.56 -1.17 121.20 132.63 2gk4 s ILE 155 Ca 0.08 -0.92 0.01 0.00 0.00 0.00 0.00 60.65 59.81 2gk4 s ILE 155 Cb -0.16 -1.89 0.00 0.00 0.01 0.00 0.00 42.46 40.42 2gk4 s ILE 155 CO 0.10 0.54 0.05 -0.83 0.00 0.00 0.00 174.94 174.80 2gk4 s GLY 156 N 1.10 3.00 0.15 6.18 0.00 -0.31 -0.38 107.32 117.06 2gk4 s GLY 156 Ca 0.00 -0.29 0.07 0.00 0.00 0.00 0.00 44.72 44.50 2gk4 s GLY 156 CO -0.08 -2.18 -0.16 -1.36 0.00 0.00 0.00 173.10 169.33 2gk4 s PHE 157 N -2.88 1.61 -0.05 1.90 0.40 -1.23 -0.42 117.98 117.31 2gk4 s PHE 157 Ca 0.06 -0.53 -0.02 0.00 -0.60 0.00 0.00 56.93 55.84 2gk4 s PHE 157 Cb 0.00 -0.81 0.03 0.00 0.51 0.00 0.00 43.02 42.76 2gk4 s PHE 157 CO 0.04 0.25 0.08 0.21 0.70 0.00 0.00 175.22 176.50 2gk4 s LYS 158 N -2.94 -0.02 -0.19 0.44 2.47 -0.43 -4.85 119.74 114.21 2gk4 s LYS 158 Ca 0.14 0.36 0.01 0.00 -1.56 0.00 0.00 55.97 54.92 2gk4 s LYS 158 Cb -0.04 -0.33 0.04 0.00 -1.46 0.00 0.00 37.83 36.03 2gk4 s LYS 158 CO 0.05 -0.25 -0.13 -1.17 0.16 0.00 0.00 175.35 174.01 2gk4 s LEU 159 N 1.70 2.30 0.52 5.43 2.96 -1.26 -0.64 118.68 129.70 2gk4 s LEU 159 Ca -0.02 -0.84 0.03 0.00 -0.22 0.00 0.00 54.13 53.08 2gk4 s LEU 159 Cb -0.12 -1.31 0.01 0.00 0.50 0.00 0.00 46.19 45.26 2gk4 s LEU 159 CO -0.04 -0.11 0.17 -0.76 -1.32 0.00 0.00 176.35 174.29 2gk4 s LEU 160 N 1.35 2.49 -0.13 -0.68 1.43 -0.56 -4.97 118.68 117.61 2gk4 s LEU 160 Ca 0.00 -1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 51.62 2gk4 s LEU 160 Cb -0.15 -0.94 0.04 0.00 0.03 0.00 0.00 46.19 45.16 2gk4 s LEU 160 CO -0.09 -0.94 -0.02 -0.69 0.23 0.00 0.00 176.35 174.84 2gk4 s VAL 161 N -2.82 0.71 -0.91 -1.59 1.01 -1.26 -0.97 120.40 114.56 2gk4 s VAL 161 Ca 0.18 -0.30 -0.05 0.00 0.00 0.00 0.00 61.98 61.82 2gk4 s VAL 161 Cb 0.00 -0.93 -0.06 0.00 0.00 0.00 0.00 36.38 35.39 2gk4 s VAL 161 CO 0.11 0.14 0.80 -0.67 0.00 0.00 0.00 175.10 175.48 2gk4 n ASP 162 N 5.02 -6.05 -4.41 3.32 -0.08 -1.26 -4.99 116.55 108.10 2gk4 n ASP 162 Ca -0.10 -0.62 -0.20 0.00 -1.51 0.00 0.00 54.79 52.36 2gk4 n ASP 162 Cb 0.49 -4.61 -0.10 0.00 2.34 0.00 0.00 41.12 39.23 2gk4 n ASP 162 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 2gk4 s VAL 163 N -3.34 1.51 0.65 5.18 -7.23 -1.26 -5.14 120.40 110.77 2gk4 s VAL 163 Ca 0.40 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 58.33 2gk4 s VAL 163 Cb -0.05 -2.42 -0.01 0.00 0.56 0.00 0.00 36.38 34.45 2gk4 s VAL 163 CO 0.64 -0.31 1.06 0.42 -0.31 0.00 0.00 175.10 176.60 2gk4 s THR 164 N -3.10 3.91 0.37 5.32 -4.23 -1.26 -4.92 115.64 111.74 2gk4 s THR 164 Ca 0.29 0.75 0.09 0.00 -1.18 0.00 0.00 61.69 61.65 2gk4 s THR 164 Cb 0.04 -3.38 0.14 0.00 1.34 0.00 0.00 72.50 70.64 2gk4 s THR 164 CO 0.11 -0.68 1.88 -0.33 -0.54 0.00 0.00 174.62 175.06 2gk4 h GLU 165 N -0.16 0.24 -0.30 3.99 5.08 -2.01 -1.64 114.58 119.79 2gk4 h GLU 165 Ca -0.45 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 57.77 2gk4 h GLU 165 Cb 1.21 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 2gk4 h GLU 165 CO 0.57 0.42 -0.12 -0.44 -1.00 0.00 0.00 179.01 178.44 2gk4 h ASP 166 N 0.22 0.48 -0.36 1.42 3.32 -1.99 -0.96 116.42 118.55 2gk4 h ASP 166 Ca 0.04 -0.12 -0.16 0.00 0.02 0.00 0.00 57.03 56.80 2gk4 h ASP 166 Cb 0.45 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2gk4 h ASP 166 CO 0.03 0.64 -0.42 -0.74 -1.72 0.00 0.00 179.24 177.03 2gk4 h HIS 167 N 0.46 1.12 -0.33 4.55 2.76 -1.82 -0.85 115.15 121.04 2gk4 h HIS 167 Ca 0.09 -0.35 0.02 0.00 -2.20 0.00 0.00 60.37 57.93 2gk4 h HIS 167 Cb 0.49 -0.23 -0.03 0.00 1.55 0.00 0.00 27.41 29.19 2gk4 h HIS 167 CO 0.02 1.18 0.17 1.25 -1.30 0.00 0.00 177.93 179.25 2gk4 h LEU 168 N 0.74 0.26 -0.37 0.26 5.85 -0.97 0.42 115.31 121.49 2gk4 h LEU 168 Ca 0.05 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 2gk4 h LEU 168 Cb 1.02 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.99 2gk4 h LEU 168 CO 0.10 0.19 0.22 0.58 -0.34 0.00 0.00 178.44 179.20 2gk4 h VAL 169 N 0.35 1.12 -0.04 1.05 2.07 -1.02 -0.21 116.25 119.57 2gk4 h VAL 169 Ca 0.14 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.40 2gk4 h VAL 169 Cb 0.04 0.64 -0.05 0.00 -1.52 0.00 0.00 31.29 30.40 2gk4 h VAL 169 CO -0.09 0.12 -0.28 -0.78 0.02 0.00 0.00 177.57 176.57 2gk4 h ASP 170 N 0.49 -0.84 -0.49 0.57 1.82 -0.59 0.98 116.42 118.36 2gk4 h ASP 170 Ca 0.13 0.12 -0.02 0.00 -0.39 0.00 0.00 57.03 56.87 2gk4 h ASP 170 Cb 0.01 0.35 -0.02 0.00 0.68 0.00 0.00 39.33 40.34 2gk4 h ASP 170 CO -0.03 -0.34 0.23 0.40 -1.61 0.00 0.00 179.24 177.90 2gk4 h ILE 171 N -0.40 1.19 -0.77 2.25 1.08 -0.86 -2.21 117.51 117.79 2gk4 h ILE 171 Ca 0.07 -0.55 0.03 0.00 -0.39 0.00 0.00 64.86 64.02 2gk4 h ILE 171 Cb 0.51 0.65 -0.05 0.00 -3.07 0.00 0.00 36.82 34.86 2gk4 h ILE 171 CO -0.27 0.22 0.49 0.00 -0.69 0.00 0.00 178.15 177.90 2gk4 h ALA 172 N 1.07 1.01 -0.40 1.87 0.00 -0.75 -2.10 119.26 119.96 2gk4 h ALA 172 Ca 0.17 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.97 2gk4 h ALA 172 Cb 0.13 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2gk4 h ALA 172 CO -0.02 0.31 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 2gk4 h ARG 173 N 0.97 0.69 -0.77 0.00 3.08 -0.57 0.91 114.38 118.68 2gk4 h ARG 173 Ca 0.31 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.15 2gk4 h ARG 173 Cb 0.00 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.94 2gk4 h ARG 173 CO -0.11 0.77 0.50 0.87 -1.07 0.00 0.00 179.97 180.93 2gk4 h LYS 174 N 0.64 1.03 -0.51 0.04 1.57 -1.17 -2.31 116.57 115.85 2gk4 h LYS 174 Ca 0.12 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.75 2gk4 h LYS 174 Cb 0.52 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 2gk4 h LYS 174 CO 0.03 0.69 0.04 1.03 -0.57 0.00 0.00 179.45 180.67 2gk4 h SER 175 N 1.05 0.86 -0.62 0.86 0.87 -0.85 -1.29 113.55 114.43 2gk4 h SER 175 Ca 0.28 -0.29 0.13 0.00 -1.23 0.00 0.00 61.79 60.68 2gk4 h SER 175 Cb -0.10 -0.23 -0.10 0.00 -0.44 0.00 0.00 62.40 61.53 2gk4 h SER 175 CO -0.06 0.93 0.06 -0.07 -0.53 0.00 0.00 176.83 177.16 2gk4 h LEU 176 N 0.75 -0.16 -0.12 2.23 -0.00 -0.53 -1.14 115.31 116.34 2gk4 h LEU 176 Ca 0.15 0.14 -0.05 0.00 -0.00 0.00 0.00 57.88 58.12 2gk4 h LEU 176 Cb 0.47 0.23 -0.00 0.00 -0.00 0.00 0.00 40.66 41.36 2gk4 h LEU 176 CO 0.02 -0.07 -0.12 0.40 -0.00 0.00 0.00 178.44 178.67 2gk4 h ILE 177 N 0.17 1.35 -0.24 1.22 5.03 -1.23 -0.75 117.51 123.06 2gk4 h ILE 177 Ca 0.33 -1.28 -0.01 0.00 -0.12 0.00 0.00 64.86 63.78 2gk4 h ILE 177 Cb 0.53 1.93 -0.01 0.00 -3.03 0.00 0.00 36.82 36.23 2gk4 h ILE 177 CO -0.49 0.37 0.12 0.50 -0.68 0.00 0.00 178.15 177.97 2gk4 h LYS 178 N -0.09 0.33 -0.09 2.37 3.64 -1.06 -2.97 116.57 118.70 2gk4 h LYS 178 Ca 0.02 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2gk4 h LYS 178 Cb 0.65 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.40 2gk4 h LYS 178 CO 0.03 0.26 0.00 0.09 -2.27 0.00 0.00 179.45 177.56 2gk4 n ASN 179 N -4.46 2.37 -3.72 4.20 3.02 -0.45 -4.81 115.26 111.42 2gk4 n ASN 179 Ca 0.01 -1.67 -0.28 0.00 -0.03 0.00 0.00 54.58 52.61 2gk4 n ASN 179 Cb 0.10 -0.05 -0.02 0.00 -0.61 0.00 0.00 39.78 39.21 2gk4 n ASN 179 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2gk4 n GLN 180 N 0.82 -2.89 -2.41 3.52 6.02 -0.53 -4.69 117.38 117.23 2gk4 n GLN 180 Ca 0.10 0.35 -0.33 0.00 -0.01 0.00 0.00 57.00 57.10 2gk4 n GLN 180 Cb 0.38 -5.03 -0.02 0.00 1.02 0.00 0.00 30.24 26.59 2gk4 n GLN 180 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2gk4 s ALA 181 N -2.99 2.87 -1.78 -1.58 0.00 -0.40 -4.80 121.76 113.07 2gk4 s ALA 181 Ca 0.53 0.48 0.21 0.00 0.00 0.00 0.00 51.96 53.18 2gk4 s ALA 181 Cb -0.29 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.58 2gk4 s ALA 181 CO 0.66 -0.41 1.00 -0.40 0.00 0.00 0.00 175.76 176.61 2gk4 n ASP 182 N -1.31 1.82 -3.65 0.00 5.68 -0.31 -4.77 116.55 114.00 2gk4 n ASP 182 Ca 0.09 -1.41 -0.10 0.00 -0.50 0.00 0.00 54.79 52.86 2gk4 n ASP 182 Cb 0.53 0.53 -0.08 0.00 -1.14 0.00 0.00 41.12 40.96 2gk4 n ASP 182 CO 0.00 0.00 0.00 -0.22 -1.33 0.00 0.00 177.20 175.65 2gk4 s LEU 183 N -2.40 -0.66 -0.14 -2.12 2.96 -1.15 -4.74 118.68 110.42 2gk4 s LEU 183 Ca 0.16 1.36 0.02 0.00 -0.22 0.00 0.00 54.13 55.45 2gk4 s LEU 183 Cb 0.16 2.19 0.01 0.00 0.50 0.00 0.00 46.19 49.06 2gk4 s LEU 183 CO 0.55 -0.23 -0.20 -0.63 -1.32 0.00 0.00 176.35 174.52 2gk4 s ILE 184 N 1.14 1.94 -0.50 6.68 -1.09 -0.10 -1.16 121.20 128.11 2gk4 s ILE 184 Ca -0.06 -0.90 -0.20 0.00 -2.23 0.00 0.00 60.65 57.25 2gk4 s ILE 184 Cb -0.05 -1.73 0.05 0.00 -1.58 0.00 0.00 42.46 39.15 2gk4 s ILE 184 CO -0.11 0.53 0.66 -0.63 -1.23 0.00 0.00 174.94 174.15 2gk4 s ILE 185 N 0.90 4.82 -0.05 2.92 1.01 0.44 -0.28 121.20 130.95 2gk4 s ILE 185 Ca -0.06 -0.29 -0.08 0.00 0.00 0.00 0.00 60.65 60.22 2gk4 s ILE 185 Cb -0.15 -4.30 -0.05 0.00 0.01 0.00 0.00 42.46 37.97 2gk4 s ILE 185 CO -0.03 -0.79 0.23 0.00 0.00 0.00 0.00 174.94 174.35 2gk4 s ALA 186 N 2.80 3.84 0.12 9.38 0.00 -0.05 -1.32 121.76 136.53 2gk4 s ALA 186 Ca 0.18 -0.55 -0.15 0.00 0.00 0.00 0.00 51.96 51.44 2gk4 s ALA 186 Cb -0.17 -2.07 0.03 0.00 0.00 0.00 0.00 23.12 20.91 2gk4 s ALA 186 CO 0.14 0.61 0.38 0.54 0.00 0.00 0.00 175.76 177.43 2gk4 s ASN 187 N -1.29 -0.20 -0.15 0.00 6.03 0.19 -1.14 114.94 118.39 2gk4 s ASN 187 Ca 0.21 -0.34 0.01 0.00 -1.03 0.00 0.00 52.86 51.71 2gk4 s ASN 187 Cb -0.13 0.46 -0.00 0.00 -3.03 0.00 0.00 41.25 38.54 2gk4 s ASN 187 CO 0.10 -0.83 -0.16 -0.62 -2.03 0.00 0.00 177.10 173.56 2gk4 s ASP 188 N -2.76 3.59 0.45 3.54 -1.08 -1.26 -1.49 116.67 117.66 2gk4 s ASP 188 Ca 0.03 -0.47 0.22 0.00 -0.52 0.00 0.00 52.55 51.80 2gk4 s ASP 188 Cb 0.02 -1.54 1.20 0.00 -1.46 0.00 0.00 42.92 41.13 2gk4 s ASP 188 CO -0.11 0.10 1.84 0.25 0.52 0.00 0.00 175.17 177.77 2gk4 h LEU 189 N 7.19 0.31 0.00 -1.34 5.85 -1.43 -0.42 115.31 125.46 2gk4 h LEU 189 Ca -0.31 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.45 2gk4 h LEU 189 Cb 1.20 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.21 2gk4 h LEU 189 CO 0.56 0.10 0.00 0.35 -0.34 0.00 0.00 178.44 179.11 2gk4 n THR 190 N -4.47 0.00 -1.19 1.05 -2.24 -1.26 -2.92 114.28 103.25 2gk4 n THR 190 Ca 0.21 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 62.04 2gk4 n THR 190 Cb 0.82 -0.50 0.21 0.00 -2.10 0.00 0.00 70.33 68.75 2gk4 n THR 190 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2gk4 n GLN 191 N -1.18 2.06 -4.82 -0.78 1.13 -0.17 -4.95 117.38 108.67 2gk4 n GLN 191 Ca 0.18 -2.90 -0.33 0.00 -1.94 0.00 0.00 57.00 52.00 2gk4 n GLN 191 Cb 0.19 -1.72 -0.13 0.00 0.11 0.00 0.00 30.24 28.69 2gk4 n GLN 191 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2gk4 s ILE 192 N -2.99 3.11 0.00 5.09 1.01 -1.15 -2.32 121.20 123.96 2gk4 s ILE 192 Ca 0.40 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.37 2gk4 s ILE 192 Cb 0.34 -2.26 0.00 0.00 0.01 0.00 0.00 42.46 40.55 2gk4 s ILE 192 CO 0.03 0.56 0.00 -1.54 0.00 0.00 0.00 174.94 173.99 2gk4 n SER 193 N 2.84 0.00 0.19 3.58 3.41 -0.15 -5.00 113.62 118.49 2gk4 n SER 193 Ca -0.18 -0.81 0.04 0.00 -0.26 0.00 0.00 58.87 57.67 2gk4 n SER 193 Cb 0.52 0.00 0.36 0.00 -0.26 0.00 0.00 64.21 64.83 2gk4 n SER 193 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2gk4 h ALA 194 N 1.29 1.18 -0.00 7.33 0.00 -2.04 -3.32 119.26 123.71 2gk4 h ALA 194 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.55 2gk4 h ALA 194 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2gk4 h ALA 194 CO 0.00 0.49 -0.01 -0.25 0.00 0.00 0.00 179.25 179.48 2gk4 n ASP 195 N -3.83 0.15 -4.18 0.00 8.00 -1.26 -5.05 116.55 110.38 2gk4 n ASP 195 Ca -0.01 -0.57 -0.14 0.00 0.71 0.00 0.00 54.79 54.77 2gk4 n ASP 195 Cb 0.46 0.87 -0.11 0.00 -0.02 0.00 0.00 41.12 42.32 2gk4 n ASP 195 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2gk4 s GLN 196 N -0.89 0.86 -0.42 -1.24 -1.52 -1.25 -4.85 119.66 110.35 2gk4 s GLN 196 Ca 0.00 -1.18 0.07 0.00 -1.95 0.00 0.00 55.36 52.30 2gk4 s GLN 196 Cb 0.00 -0.53 0.18 0.00 -0.22 0.00 0.00 33.01 32.44 2gk4 s GLN 196 CO 0.01 0.08 0.60 -1.58 -0.25 0.00 0.00 175.29 174.14 2gk4 s HIS 197 N -2.54 -1.41 0.22 0.91 2.46 0.12 -0.98 115.29 114.07 2gk4 s HIS 197 Ca 0.06 -0.12 -0.30 0.00 0.47 0.00 0.00 55.06 55.17 2gk4 s HIS 197 Cb -0.02 0.17 -0.09 0.00 -0.13 0.00 0.00 32.58 32.50 2gk4 s HIS 197 CO -0.00 -1.15 1.40 0.50 -2.47 0.00 0.00 174.74 173.02 2gk4 s ARG 198 N 1.58 4.31 0.04 2.88 6.06 -0.98 -2.95 118.95 129.89 2gk4 s ARG 198 Ca 0.19 2.20 -0.12 0.00 -2.50 0.00 0.00 55.73 55.50 2gk4 s ARG 198 Cb -0.05 -3.15 0.01 0.00 0.06 0.00 0.00 34.95 31.82 2gk4 s ARG 198 CO -0.06 -0.37 0.26 0.00 -2.50 0.00 0.00 175.30 172.62 2gk4 s ALA 199 N 0.19 -0.55 -0.15 6.12 0.00 -0.70 -4.45 121.76 122.22 2gk4 s ALA 199 Ca 0.59 -0.09 0.01 0.00 0.00 0.00 0.00 51.96 52.47 2gk4 s ALA 199 Cb -0.40 0.28 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2gk4 s ALA 199 CO 0.40 -0.38 -0.18 0.42 0.00 0.00 0.00 175.76 176.02 2gk4 s ILE 200 N -2.44 1.81 -0.62 0.00 1.01 -0.29 -1.20 121.20 119.47 2gk4 s ILE 200 Ca -0.06 -0.80 -0.26 0.00 0.00 0.00 0.00 60.65 59.54 2gk4 s ILE 200 Cb -0.01 -1.64 0.04 0.00 0.01 0.00 0.00 42.46 40.85 2gk4 s ILE 200 CO -0.03 0.50 1.08 -0.36 0.00 0.00 0.00 174.94 176.13 2gk4 s PHE 201 N 1.20 2.61 -0.31 3.97 0.40 0.17 -0.87 117.98 125.15 2gk4 s PHE 201 Ca 0.00 -0.00 -0.16 0.00 -0.60 0.00 0.00 56.93 56.17 2gk4 s PHE 201 Cb -0.14 -4.34 -0.02 0.00 0.51 0.00 0.00 43.02 39.02 2gk4 s PHE 201 CO -0.08 -1.62 0.41 0.08 0.70 0.00 0.00 175.22 174.71 2gk4 s VAL 202 N 4.61 5.13 0.50 -0.44 1.01 0.61 -1.81 120.40 130.02 2gk4 s VAL 202 Ca 0.33 0.39 0.04 0.00 0.00 0.00 0.00 61.98 62.75 2gk4 s VAL 202 Cb -0.11 -3.79 -0.00 0.00 0.00 0.00 0.00 36.38 32.47 2gk4 s VAL 202 CO 0.18 0.01 0.18 -1.61 0.00 0.00 0.00 175.10 173.87 2gk4 s GLU 203 N 2.13 2.21 0.17 2.72 2.02 -0.68 -0.92 118.70 126.36 2gk4 s GLU 203 Ca 0.15 -2.14 -0.15 0.00 0.02 0.00 0.00 54.97 52.86 2gk4 s GLU 203 Cb -0.16 -1.83 0.14 0.00 0.10 0.00 0.00 34.13 32.38 2gk4 s GLU 203 CO 0.11 -0.39 1.71 -0.22 0.02 0.00 0.00 175.26 176.49 2gk4 h LYS 204 N 1.16 0.16 0.00 1.61 3.64 -1.94 -3.27 116.57 117.93 2gk4 h LYS 204 Ca -0.41 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.96 2gk4 h LYS 204 Cb 1.29 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2gk4 h LYS 204 CO 0.67 0.10 -0.02 0.09 -2.27 0.00 0.00 179.45 178.03 2gk4 n ASN 205 N -5.15 1.37 -4.03 4.20 3.02 -1.26 -5.06 115.26 108.35 2gk4 n ASN 205 Ca 0.04 -1.82 -0.08 0.00 -0.03 0.00 0.00 54.58 52.69 2gk4 n ASN 205 Cb 0.22 -0.05 -0.10 0.00 -0.61 0.00 0.00 39.78 39.24 2gk4 n ASN 205 CO 0.00 0.00 0.00 -1.58 -2.62 0.00 0.00 177.26 173.06 2gk4 s GLN 206 N -0.85 0.53 0.07 3.52 0.74 -1.23 -5.17 119.66 117.26 2gk4 s GLN 206 Ca 0.03 -0.97 0.03 0.00 0.05 0.00 0.00 55.36 54.50 2gk4 s GLN 206 Cb 0.03 0.19 -0.03 0.00 1.10 0.00 0.00 33.01 34.30 2gk4 s GLN 206 CO 0.00 -0.10 -0.09 -0.51 -0.55 0.00 0.00 175.29 174.03 2gk4 s LEU 207 N -2.39 2.33 -0.14 3.68 1.43 -1.26 -1.69 118.68 120.64 2gk4 s LEU 207 Ca -0.01 -0.68 -0.07 0.00 -1.03 0.00 0.00 54.13 52.33 2gk4 s LEU 207 Cb 0.01 -0.26 0.05 0.00 0.03 0.00 0.00 46.19 46.03 2gk4 s LEU 207 CO -0.07 -0.22 0.33 -1.10 0.23 0.00 0.00 176.35 175.52 2gk4 s GLN 208 N -2.17 0.30 0.12 1.70 -0.21 -0.75 -4.98 119.66 113.67 2gk4 s GLN 208 Ca -0.02 0.64 0.05 0.00 0.02 0.00 0.00 55.36 56.06 2gk4 s GLN 208 Cb -0.06 -0.06 -0.04 0.00 1.00 0.00 0.00 33.01 33.85 2gk4 s GLN 208 CO 0.00 -0.15 0.02 0.95 -2.12 0.00 0.00 175.29 173.99 2gk4 s THR 209 N 1.26 4.04 0.12 -0.19 -4.23 -1.26 0.41 115.64 115.79 2gk4 s THR 209 Ca -0.09 -1.09 -0.01 0.00 -1.18 0.00 0.00 61.69 59.32 2gk4 s THR 209 Cb -0.09 -2.97 -0.04 0.00 1.34 0.00 0.00 72.50 70.74 2gk4 s THR 209 CO -0.10 0.04 0.03 0.68 -0.54 0.00 0.00 174.62 174.73 2gk4 s VAL 210 N -1.47 0.17 -0.07 2.29 -7.23 -0.34 -4.98 120.40 108.77 2gk4 s VAL 210 Ca 0.27 -1.90 0.06 0.00 -1.81 0.00 0.00 61.98 58.61 2gk4 s VAL 210 Cb -0.11 -1.94 -0.09 0.00 0.56 0.00 0.00 36.38 34.80 2gk4 s VAL 210 CO 0.19 -0.58 0.16 0.00 -0.31 0.00 0.00 175.10 174.56 2gk4 n GLN 211 N -0.06 1.20 -4.10 4.82 1.13 -1.26 -1.72 117.38 117.39 2gk4 n GLN 211 Ca -0.07 -0.04 -0.08 0.00 -1.94 0.00 0.00 57.00 54.86 2gk4 n GLN 211 Cb 0.63 -1.07 -0.10 0.00 0.11 0.00 0.00 30.24 29.81 2gk4 n GLN 211 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2gk4 s THR 212 N -2.25 0.18 0.25 5.09 -4.23 -1.15 0.10 115.64 113.63 2gk4 s THR 212 Ca -0.01 -1.83 -0.05 0.00 -1.18 0.00 0.00 61.69 58.62 2gk4 s THR 212 Cb 0.04 -1.68 0.24 0.00 1.34 0.00 0.00 72.50 72.44 2gk4 s THR 212 CO 0.25 -0.82 1.90 0.11 -0.54 0.00 0.00 174.62 175.52 2gk4 h LYS 213 N 3.05 1.17 -0.74 3.99 1.57 -1.89 0.12 116.57 123.84 2gk4 h LYS 213 Ca -0.34 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.32 2gk4 h LYS 213 Cb 1.16 -0.26 -0.03 0.00 0.08 0.00 0.00 32.23 33.17 2gk4 h LYS 213 CO 0.63 0.77 0.30 0.93 -0.57 0.00 0.00 179.45 181.51 2gk4 h GLU 214 N 1.20 1.10 -0.46 3.15 3.07 -1.96 -1.30 114.58 119.39 2gk4 h GLU 214 Ca 0.38 -0.20 -0.08 0.00 -0.50 0.00 0.00 59.36 58.96 2gk4 h GLU 214 Cb -0.01 -0.18 -0.02 0.00 -0.84 0.00 0.00 28.75 27.70 2gk4 h GLU 214 CO -0.12 0.90 -0.05 0.93 -1.40 0.00 0.00 179.01 179.28 2gk4 h GLU 215 N 1.06 0.78 0.19 2.33 5.08 -1.78 -0.57 114.58 121.67 2gk4 h GLU 215 Ca 0.25 -0.23 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2gk4 h GLU 215 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 2gk4 h GLU 215 CO -0.02 0.82 -0.20 0.82 -1.00 0.00 0.00 179.01 179.43 2gk4 h ILE 216 N 0.72 0.56 -0.51 3.13 2.04 -0.51 -1.37 117.51 121.57 2gk4 h ILE 216 Ca 0.13 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.03 2gk4 h ILE 216 Cb 0.51 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.11 2gk4 h ILE 216 CO 0.03 0.00 0.28 0.00 0.00 0.00 0.00 178.15 178.45 2gk4 h ALA 217 N 0.32 0.65 -0.36 1.87 0.00 -0.92 -1.14 119.26 119.69 2gk4 h ALA 217 Ca 0.00 0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 2gk4 h ALA 217 Cb 0.40 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2gk4 h ALA 217 CO -0.05 -0.05 -0.34 0.93 0.00 0.00 0.00 179.25 179.74 2gk4 h GLU 218 N 0.55 0.81 -0.46 0.00 4.39 -1.02 -0.04 114.58 118.80 2gk4 h GLU 218 Ca 0.22 -0.39 -0.04 0.00 0.34 0.00 0.00 59.36 59.48 2gk4 h GLU 218 Cb 0.09 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2gk4 h GLU 218 CO -0.13 1.02 0.13 1.25 -1.16 0.00 0.00 179.01 180.13 2gk4 h LEU 219 N 0.68 0.68 -0.88 1.33 5.85 -1.13 -0.18 115.31 121.66 2gk4 h LEU 219 Ca 0.07 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2gk4 h LEU 219 Cb 0.89 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.68 2gk4 h LEU 219 CO 0.08 0.72 0.57 -0.07 -0.34 0.00 0.00 178.44 179.40 2gk4 h LEU 220 N 0.62 0.94 -0.43 2.25 3.38 -1.04 0.37 115.31 121.40 2gk4 h LEU 220 Ca 0.15 -0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.15 2gk4 h LEU 220 Cb 0.29 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2gk4 h LEU 220 CO -0.00 0.64 0.21 0.25 0.09 0.00 0.00 178.44 179.62 2gk4 h LEU 221 N 1.10 0.29 -0.50 1.67 5.85 -0.43 0.01 115.31 123.28 2gk4 h LEU 221 Ca 0.35 0.03 0.04 0.00 0.84 0.00 0.00 57.88 59.14 2gk4 h LEU 221 Cb 0.02 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2gk4 h LEU 221 CO -0.12 0.21 0.27 -0.33 -0.34 0.00 0.00 178.44 178.13 2gk4 h GLU 222 N 0.41 0.51 -0.46 1.25 5.08 -0.34 0.13 114.58 121.17 2gk4 h GLU 222 Ca 0.19 -0.03 -0.11 0.00 -1.00 0.00 0.00 59.36 58.41 2gk4 h GLU 222 Cb 0.10 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2gk4 h GLU 222 CO -0.14 0.34 -0.15 0.87 -1.00 0.00 0.00 179.01 178.94 2gk4 h LYS 223 N 0.53 0.87 -0.32 2.33 1.57 -0.48 -1.86 116.57 119.20 2gk4 h LYS 223 Ca 0.22 -0.32 -0.15 0.00 -1.87 0.00 0.00 60.65 58.53 2gk4 h LYS 223 Cb 0.10 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2gk4 h LYS 223 CO -0.14 0.96 -0.38 0.82 -0.57 0.00 0.00 179.45 180.14 2gk4 h ILE 224 N 0.77 1.29 0.00 1.86 2.04 -0.71 -2.79 117.51 119.97 2gk4 h ILE 224 Ca 0.12 -1.55 -0.00 0.00 1.00 0.00 0.00 64.86 64.42 2gk4 h ILE 224 Cb 0.67 1.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.29 2gk4 h ILE 224 CO 0.05 0.51 -0.02 1.56 0.00 0.00 0.00 178.15 180.25 2gk4 h GLN 225 N 0.59 0.00 0.00 2.37 4.20 -0.51 -0.87 115.11 120.89 2gk4 h GLN 225 Ca 0.04 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2gk4 h GLN 225 Cb 0.97 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.75 2gk4 h GLN 225 CO 0.09 0.02 0.00 0.00 -0.67 0.00 0.00 178.83 178.27 2gk4 n ALA 226 N -2.46 1.98 0.03 3.87 0.00 -0.72 -3.09 120.51 120.12 2gk4 n ALA 226 Ca -0.03 0.03 -0.08 0.00 0.00 0.00 0.00 53.44 53.36 2gk4 n ALA 226 Cb 0.10 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.19 2gk4 n ALA 226 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 2gk4 h TYR 227 N 0.00 0.57 -0.01 0.00 0.99 -1.07 -3.51 116.97 113.94 2gk4 h TYR 227 Ca 0.00 -0.21 0.00 0.00 2.00 0.00 0.00 58.73 60.52 2gk4 h TYR 227 Cb 0.56 -0.10 0.00 0.00 1.00 0.00 0.00 36.73 38.19 2gk4 h TYR 227 CO 0.00 0.92 0.00 -2.39 -0.00 0.00 0.00 178.16 176.69