#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gkn h LEU 3 N 0.00 0.06 -0.78 0.99 5.85 -1.99 -0.55 115.31 118.88 2gkn h LEU 3 Ca 0.00 0.13 0.11 0.00 0.84 0.00 0.00 57.88 58.96 2gkn h LEU 3 Cb 0.00 0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 2gkn h LEU 3 CO 0.00 0.00 0.40 -0.07 -0.34 0.00 0.00 178.44 178.43 2gkn h LEU 4 N 0.30 0.52 -0.43 2.25 3.38 -2.02 -0.12 115.31 119.18 2gkn h LEU 4 Ca 0.39 0.07 -0.17 0.00 0.09 0.00 0.00 57.88 58.25 2gkn h LEU 4 Cb 0.62 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 2gkn h LEU 4 CO -0.46 0.27 -0.57 -1.28 0.09 0.00 0.00 178.44 176.49 2gkn h SER 5 N 0.64 0.73 -0.55 -0.43 0.87 -1.60 -2.83 113.55 110.38 2gkn h SER 5 Ca 0.40 -0.40 -0.08 0.00 -1.23 0.00 0.00 61.79 60.48 2gkn h SER 5 Cb 0.47 -0.21 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2gkn h SER 5 CO -0.30 1.14 0.03 0.03 -0.53 0.00 0.00 176.83 177.20 2gkn h ARG 6 N 0.50 0.95 -0.75 2.24 3.08 -0.72 -2.67 114.38 117.02 2gkn h ARG 6 Ca 0.01 -0.29 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2gkn h ARG 6 Cb 1.13 -0.09 -0.04 0.00 0.08 0.00 0.00 29.97 31.05 2gkn h ARG 6 CO 0.11 0.95 0.44 -0.07 -1.07 0.00 0.00 179.97 180.33 2gkn h LEU 7 N 0.83 0.90 -0.58 3.04 3.38 -0.97 -0.92 115.31 120.98 2gkn h LEU 7 Ca 0.16 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.08 2gkn h LEU 7 Cb 0.50 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.02 2gkn h LEU 7 CO 0.02 0.70 0.00 0.03 0.09 0.00 0.00 178.44 179.28 2gkn h ARG 8 N 1.03 0.00 -0.50 1.13 3.08 -1.33 -1.85 114.38 115.93 2gkn h ARG 8 Ca 0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.32 2gkn h ARG 8 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 2gkn h ARG 8 CO -0.05 0.00 0.00 1.63 -1.07 0.00 0.00 179.97 180.48 2gkn n LYS 9 N -2.39 2.27 -2.43 0.04 4.76 -0.65 -4.94 118.16 114.82 2gkn n LYS 9 Ca 0.03 -1.96 -0.17 0.00 -2.87 0.00 0.00 58.31 53.34 2gkn n LYS 9 Cb 0.31 -1.44 -0.01 0.00 -1.84 0.00 0.00 35.03 32.04 2gkn n LYS 9 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2gkn n ARG 10 N 1.11 -1.98 -2.78 1.97 1.74 -0.70 -4.98 116.66 111.05 2gkn n ARG 10 Ca 0.19 0.81 -0.40 0.00 -0.77 0.00 0.00 57.85 57.68 2gkn n ARG 10 Cb 0.48 -5.45 -0.05 0.00 -1.02 0.00 0.00 32.46 26.41 2gkn n ARG 10 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2gkn s GLU 11 N -5.05 4.75 0.64 5.56 2.02 -0.44 -5.02 118.70 121.16 2gkn s GLU 11 Ca 0.00 1.42 -0.17 0.00 0.02 0.00 0.00 54.97 56.24 2gkn s GLU 11 Cb -0.00 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.90 2gkn s GLU 11 CO 0.00 0.41 1.15 -1.25 0.02 0.00 0.00 175.26 175.60 2gkn s PRO 12 N -0.72 2.79 -0.11 0.39 0.04 -1.26 -4.45 135.00 131.69 2gkn s PRO 12 Ca 0.42 1.60 -0.30 0.00 0.04 0.00 0.00 61.00 62.77 2gkn s PRO 12 Cb -0.24 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.34 2gkn s PRO 12 CO 0.30 -1.29 1.35 0.42 0.04 0.00 0.00 177.00 177.82 2gkn s ILE 13 N -2.00 4.07 0.74 0.56 1.01 -1.26 -5.01 121.20 119.31 2gkn s ILE 13 Ca 0.72 1.33 -0.11 0.00 0.00 0.00 0.00 60.65 62.59 2gkn s ILE 13 Cb -0.25 -3.86 0.04 0.00 0.01 0.00 0.00 42.46 38.40 2gkn s ILE 13 CO 0.38 -0.09 1.09 -0.94 0.00 0.00 0.00 174.94 175.38 2gkn s SER 14 N 2.18 5.07 0.14 3.58 1.04 -1.26 -4.92 113.70 119.52 2gkn s SER 14 Ca 0.60 1.25 -0.18 0.00 0.48 0.00 0.00 55.95 58.09 2gkn s SER 14 Cb -0.25 -2.03 -0.01 0.00 0.10 0.00 0.00 66.02 63.82 2gkn s SER 14 CO 0.20 -1.59 1.76 0.40 0.98 0.00 0.00 173.24 174.98 2gkn h ILE 15 N -0.83 0.96 -0.95 -1.02 2.04 -1.93 -2.40 117.51 113.38 2gkn h ILE 15 Ca -0.46 -0.09 0.18 0.00 1.00 0.00 0.00 64.86 65.50 2gkn h ILE 15 Cb 1.25 0.69 -0.18 0.00 -0.74 0.00 0.00 36.82 37.85 2gkn h ILE 15 CO 0.61 0.05 -0.26 0.22 0.00 0.00 0.00 178.15 178.77 2gkn h TYR 16 N 0.25 -0.60 -0.02 1.37 3.20 -1.61 -2.04 116.97 117.53 2gkn h TYR 16 Ca 0.11 0.09 -0.00 0.00 3.14 0.00 0.00 58.73 62.07 2gkn h TYR 16 Cb 0.06 0.41 -0.00 0.00 1.54 0.00 0.00 36.73 38.74 2gkn h TYR 16 CO -0.11 -0.41 -0.00 -0.44 -1.64 0.00 0.00 178.16 175.56 2gkn h ASP 17 N -0.00 0.03 0.84 -2.11 3.45 -1.74 0.28 116.42 117.17 2gkn h ASP 17 Ca 0.44 -0.33 -0.07 0.00 0.43 0.00 0.00 57.03 57.49 2gkn h ASP 17 Cb 0.68 -0.01 -0.01 0.00 -0.56 0.00 0.00 39.33 39.43 2gkn h ASP 17 CO -0.98 0.36 -0.33 0.07 -1.57 0.00 0.00 179.24 176.79 2gkn h LYS 18 N -0.30 0.00 0.00 3.56 2.10 -1.09 -2.62 116.57 118.23 2gkn h LYS 18 Ca 0.00 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 58.60 2gkn h LYS 18 Cb 0.34 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.66 2gkn h LYS 18 CO 0.00 0.33 -0.45 -0.84 -2.00 0.00 0.00 179.45 176.49 2gkn h ILE 19 N 0.00 0.35 0.00 0.07 3.07 -1.45 -3.48 117.51 116.07 2gkn h ILE 19 Ca -0.00 -1.52 0.00 0.00 1.55 0.00 0.00 64.86 64.89 2gkn h ILE 19 Cb 0.84 2.08 0.00 0.00 -0.27 0.00 0.00 36.82 39.47 2gkn h ILE 19 CO 0.04 0.20 0.00 0.61 -1.05 0.00 0.00 178.15 177.95 2gkn n GLY 20 N 1.18 1.15 7.00 0.16 0.00 -0.99 -4.79 105.19 108.91 2gkn n GLY 20 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2gkn n GLY 20 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2gkn n GLY 21 N 0.00 0.40 0.29 -0.02 0.00 0.98 -3.23 105.19 103.61 2gkn n GLY 21 Ca 0.00 -0.91 0.01 0.00 0.00 0.00 0.00 46.02 45.12 2gkn n GLY 21 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2gkn h HIS 22 N 0.00 0.78 -0.53 1.61 2.76 -1.99 -2.77 115.15 115.01 2gkn h HIS 22 Ca 0.00 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.15 2gkn h HIS 22 Cb 0.00 -0.24 -0.02 0.00 1.55 0.00 0.00 27.41 28.70 2gkn h HIS 22 CO 0.00 0.34 0.14 0.93 -1.30 0.00 0.00 177.93 178.04 2gkn h GLU 23 N 0.75 0.81 -0.38 5.26 5.08 -1.99 -0.75 114.58 123.35 2gkn h GLU 23 Ca 0.36 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.49 2gkn h GLU 23 Cb 0.28 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2gkn h GLU 23 CO -0.22 0.72 -0.03 0.00 -1.00 0.00 0.00 179.01 178.48 2gkn h ALA 24 N 1.37 0.52 -0.54 3.43 0.00 -1.47 -2.81 119.26 119.76 2gkn h ALA 24 Ca 0.17 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 2gkn h ALA 24 Cb 0.27 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2gkn h ALA 24 CO -0.00 0.32 -0.05 0.82 0.00 0.00 0.00 179.25 180.34 2gkn h ILE 25 N 0.51 1.27 -0.56 0.00 2.04 -1.27 -1.82 117.51 117.69 2gkn h ILE 25 Ca 0.11 -1.19 0.07 0.00 1.00 0.00 0.00 64.86 64.84 2gkn h ILE 25 Cb 0.52 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.47 2gkn h ILE 25 CO 0.03 0.42 0.24 -0.33 0.00 0.00 0.00 178.15 178.51 2gkn h GLU 26 N 0.87 0.44 -0.20 2.37 5.08 -1.13 -0.55 114.58 121.47 2gkn h GLU 26 Ca 0.15 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.35 2gkn h GLU 26 Cb 0.61 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.75 2gkn h GLU 26 CO 0.04 0.29 -0.45 0.28 -1.00 0.00 0.00 179.01 178.18 2gkn h VAL 27 N 0.46 1.31 -0.06 3.13 2.07 -1.34 -2.65 116.25 119.16 2gkn h VAL 27 Ca 0.26 -1.64 -0.02 0.00 0.82 0.00 0.00 66.70 66.12 2gkn h VAL 27 Cb 0.25 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.67 2gkn h VAL 27 CO -0.23 0.51 -0.05 0.58 0.02 0.00 0.00 177.57 178.40 2gkn h VAL 28 N 0.40 1.37 -0.60 2.57 2.07 -1.08 -3.01 116.25 117.97 2gkn h VAL 28 Ca 0.03 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 2gkn h VAL 28 Cb 0.94 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.72 2gkn h VAL 28 CO 0.08 0.33 0.35 0.58 0.02 0.00 0.00 177.57 178.93 2gkn h VAL 29 N -0.30 1.17 -0.37 2.57 2.07 -1.08 0.24 116.25 120.56 2gkn h VAL 29 Ca 0.01 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.10 2gkn h VAL 29 Cb 0.55 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2gkn h VAL 29 CO 0.01 0.18 0.09 -0.08 0.02 0.00 0.00 177.57 177.80 2gkn h GLU 30 N 0.83 0.58 -0.28 1.57 4.57 -1.54 -2.21 114.58 118.11 2gkn h GLU 30 Ca 0.22 -0.14 -0.15 0.00 -1.18 0.00 0.00 59.36 58.10 2gkn h GLU 30 Cb -0.02 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.49 2gkn h GLU 30 CO -0.04 0.62 -0.45 0.22 -1.18 0.00 0.00 179.01 178.18 2gkn h ASP 31 N 0.44 0.77 -0.34 1.04 3.58 -1.30 -2.77 116.42 117.84 2gkn h ASP 31 Ca 0.12 -0.37 0.07 0.00 0.42 0.00 0.00 57.03 57.27 2gkn h ASP 31 Cb 0.30 -0.22 -0.07 0.00 1.72 0.00 0.00 39.33 41.06 2gkn h ASP 31 CO 0.00 1.10 -0.13 0.15 -2.88 0.00 0.00 179.24 177.49 2gkn h PHE 32 N 0.57 -0.30 0.00 0.28 3.57 -0.44 -1.94 116.94 118.68 2gkn h PHE 32 Ca 0.04 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2gkn h PHE 32 Cb 1.00 0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.91 2gkn h PHE 32 CO 0.05 -0.20 -0.40 1.88 -2.23 0.00 0.00 178.31 177.41 2gkn h TYR 33 N -0.06 0.00 -0.24 0.41 -1.99 -1.38 -0.79 116.97 112.92 2gkn h TYR 33 Ca 0.17 0.00 0.02 0.00 2.00 0.00 0.00 58.73 60.91 2gkn h TYR 33 Cb 0.32 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.03 2gkn h TYR 33 CO -0.35 0.40 0.11 0.28 -0.00 0.00 0.00 178.16 178.61 2gkn h VAL 34 N 0.00 0.99 0.09 -2.88 2.07 -1.17 -2.08 116.25 113.27 2gkn h VAL 34 Ca -0.00 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.43 2gkn h VAL 34 Cb 1.09 0.73 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 2gkn h VAL 34 CO 0.05 0.04 -0.05 0.03 0.02 0.00 0.00 177.57 177.67 2gkn h ARG 35 N 0.24 -0.12 -0.88 1.57 3.08 -0.87 -2.61 114.38 114.78 2gkn h ARG 35 Ca 0.10 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.16 2gkn h ARG 35 Cb 0.03 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 2gkn h ARG 35 CO -0.07 0.06 0.57 0.28 -1.07 0.00 0.00 179.97 179.74 2gkn h VAL 36 N -0.29 1.23 0.00 2.04 2.07 -1.16 -2.94 116.25 117.21 2gkn h VAL 36 Ca -0.01 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.01 2gkn h VAL 36 Cb 0.24 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 2gkn h VAL 36 CO 0.02 0.23 -0.30 -0.07 0.02 0.00 0.00 177.57 177.47 2gkn h LEU 37 N 1.20 0.00 -0.54 2.57 3.38 -1.38 -3.07 115.31 117.48 2gkn h LEU 37 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2gkn h LEU 37 Cb -0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2gkn h LEU 37 CO -0.07 0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.73 2gkn n ALA 38 N -2.17 2.62 -2.57 1.53 0.00 -0.99 -4.62 120.51 114.32 2gkn n ALA 38 Ca 0.03 -0.34 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2gkn n ALA 38 Cb 0.64 -1.32 -0.08 0.00 0.00 0.00 0.00 19.45 18.69 2gkn n ALA 38 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2gkn s ASP 39 N -1.99 6.18 0.00 0.00 3.68 -1.12 -4.96 116.67 118.46 2gkn s ASP 39 Ca 0.42 -0.84 0.19 0.00 2.13 0.00 0.00 52.55 54.45 2gkn s ASP 39 Cb 0.21 -2.21 1.11 0.00 -1.45 0.00 0.00 42.92 40.58 2gkn s ASP 39 CO 0.35 -0.60 1.53 -0.90 0.13 0.00 0.00 175.17 175.67 2gkn n ASP 40 N 5.53 0.00 0.14 -0.34 5.68 -1.26 -1.05 116.55 125.24 2gkn n ASP 40 Ca -0.09 -0.78 0.11 0.00 -0.50 0.00 0.00 54.79 53.53 2gkn n ASP 40 Cb 0.47 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.50 2gkn n ASP 40 CO 0.00 0.00 0.00 1.56 -1.33 0.00 0.00 177.20 177.43 2gkn h GLN 41 N 0.00 0.00 0.00 0.11 1.08 -1.93 -3.41 115.11 110.97 2gkn h GLN 41 Ca 0.00 0.00 -0.01 0.00 -1.45 0.00 0.00 58.65 57.19 2gkn h GLN 41 Cb 0.00 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.43 2gkn h GLN 41 CO 0.00 0.03 -1.06 1.28 -0.95 0.00 0.00 178.83 178.13 2gkn n LEU 42 N -2.84 0.00 -0.27 1.46 4.77 -0.22 -4.83 117.00 115.07 2gkn n LEU 42 Ca 0.01 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.04 2gkn n LEU 42 Cb 0.56 0.02 0.20 0.00 -2.33 0.00 0.00 43.42 41.87 2gkn n LEU 42 CO 0.38 0.02 1.06 0.77 -1.33 0.00 0.00 177.39 178.29 2gkn h SER 43 N 0.00 0.41 -0.01 -1.43 4.64 -1.26 -2.06 113.55 113.83 2gkn h SER 43 Ca -0.02 0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2gkn h SER 43 Cb 0.94 0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 63.06 2gkn h SER 43 CO 0.00 0.17 0.04 0.00 -0.87 0.00 0.00 176.83 176.18 2gkn h ALA 44 N 1.54 1.23 0.00 5.18 0.00 -1.87 -1.56 119.26 123.78 2gkn h ALA 44 Ca 0.43 -0.00 -0.05 0.00 0.00 0.00 0.00 54.91 55.29 2gkn h ALA 44 Cb 0.61 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2gkn h ALA 44 CO -0.37 -0.05 -0.22 0.74 0.00 0.00 0.00 179.25 179.35 2gkn h PHE 45 N 0.00 0.00 -0.49 0.00 -1.00 -1.73 -3.10 116.94 110.62 2gkn h PHE 45 Ca 0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.79 2gkn h PHE 45 Cb 0.10 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.66 2gkn h PHE 45 CO 0.00 0.22 0.00 1.19 -1.61 0.00 0.00 178.31 178.11 2gkn n PHE 46 N -4.07 1.06 -0.32 -0.55 3.01 -0.59 -4.67 117.46 111.33 2gkn n PHE 46 Ca -0.02 -0.63 0.11 0.00 1.01 0.00 0.00 57.45 57.93 2gkn n PHE 46 Cb 0.29 -0.18 0.29 0.00 -0.01 0.00 0.00 39.48 39.87 2gkn n PHE 46 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2gkn h SER 47 N 3.06 0.57 -0.58 4.37 0.87 -1.60 -1.83 113.55 118.42 2gkn h SER 47 Ca 0.00 0.11 -0.19 0.00 -1.23 0.00 0.00 61.79 60.48 2gkn h SER 47 Cb 1.22 0.02 -0.11 0.00 -0.44 0.00 0.00 62.40 63.09 2gkn h SER 47 CO 0.15 0.17 0.17 0.61 -0.53 0.00 0.00 176.83 177.41 2gkn n GLY 48 N -1.33 4.11 3.58 5.77 0.00 -1.26 -5.00 105.19 111.06 2gkn n GLY 48 Ca 0.21 -1.07 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2gkn n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2gkn s THR 49 N -3.05 4.70 -0.63 2.61 2.01 -0.69 -5.05 115.64 115.53 2gkn s THR 49 Ca 0.50 -0.06 -0.27 0.00 0.31 0.00 0.00 61.69 62.18 2gkn s THR 49 Cb 0.42 -3.14 -0.01 0.00 0.01 0.00 0.00 72.50 69.77 2gkn s THR 49 CO 0.09 0.41 1.72 0.21 -0.69 0.00 0.00 174.62 176.37 2gkn s ASN 50 N 0.78 5.49 0.43 3.53 3.84 -1.26 -4.88 114.94 122.86 2gkn s ASN 50 Ca 0.04 0.18 0.17 0.00 0.21 0.00 0.00 52.86 53.46 2gkn s ASN 50 Cb -0.13 -2.54 0.97 0.00 -0.55 0.00 0.00 41.25 39.00 2gkn s ASN 50 CO 0.02 -2.24 1.93 0.24 -2.79 0.00 0.00 177.10 174.26 2gkn h MET 51 N 13.78 0.00 -0.31 0.43 2.86 -1.96 -1.65 114.93 128.07 2gkn h MET 51 Ca -0.27 0.00 -0.15 0.00 -2.06 0.00 0.00 59.70 57.22 2gkn h MET 51 Cb 1.14 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.79 2gkn h MET 51 CO 1.23 0.25 -0.39 0.77 1.06 0.00 0.00 176.91 179.83 2gkn h SER 52 N 0.00 0.89 -0.36 1.22 0.02 -1.99 -2.02 113.55 111.31 2gkn h SER 52 Ca -0.00 -0.49 -0.09 0.00 -0.84 0.00 0.00 61.79 60.36 2gkn h SER 52 Cb 0.49 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 2gkn h SER 52 CO 0.03 1.20 -0.14 -0.09 -1.14 0.00 0.00 176.83 176.69 2gkn h ARG 53 N 0.60 0.73 0.29 3.45 2.43 -1.91 -2.37 114.38 117.60 2gkn h ARG 53 Ca 0.04 -0.31 -0.01 0.00 -0.81 0.00 0.00 59.98 58.90 2gkn h ARG 53 Cb 0.99 -0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 30.50 2gkn h ARG 53 CO 0.09 0.91 -0.19 1.25 -1.51 0.00 0.00 179.97 180.53 2gkn h LEU 54 N 0.51 -0.47 -1.88 3.80 5.85 -1.30 -1.61 115.31 120.21 2gkn h LEU 54 Ca 0.08 0.03 0.07 0.00 0.84 0.00 0.00 57.88 58.91 2gkn h LEU 54 Cb 0.68 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.83 2gkn h LEU 54 CO 0.05 -0.30 0.24 0.11 -0.34 0.00 0.00 178.44 178.20 2gkn h LYS 55 N -0.47 0.14 0.24 1.25 1.57 -1.41 0.67 116.57 118.56 2gkn h LYS 55 Ca -0.03 -0.01 -0.01 0.00 -1.87 0.00 0.00 60.65 58.73 2gkn h LYS 55 Cb 0.39 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2gkn h LYS 55 CO 0.03 0.09 -0.12 0.78 -0.57 0.00 0.00 179.45 179.66 2gkn h GLY 56 N 0.14 -0.34 1.78 3.86 0.00 -1.00 -1.79 103.07 105.71 2gkn h GLY 56 Ca 0.16 0.13 -0.06 0.00 0.00 0.00 0.00 47.33 47.55 2gkn h GLY 56 CO -0.02 -0.12 -0.17 0.50 0.00 0.00 0.00 176.54 176.72 2gkn h LYS 57 N -0.43 0.27 0.16 4.80 1.79 -0.29 -2.75 116.57 120.12 2gkn h LYS 57 Ca -0.03 -0.07 -0.30 0.00 -2.18 0.00 0.00 60.65 58.06 2gkn h LYS 57 Cb 0.33 -0.03 0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2gkn h LYS 57 CO 0.05 0.45 -1.37 0.28 -1.08 0.00 0.00 179.45 177.78 2gkn h VAL 58 N 0.25 1.37 -0.83 0.50 2.07 -0.90 0.63 116.25 119.35 2gkn h VAL 58 Ca 0.05 -2.91 0.02 0.00 0.82 0.00 0.00 66.70 64.67 2gkn h VAL 58 Cb 0.46 2.94 -0.04 0.00 -1.52 0.00 0.00 31.29 33.13 2gkn h VAL 58 CO 0.03 0.86 0.54 0.58 0.02 0.00 0.00 177.57 179.60 2gkn h VAL 59 N 0.09 1.18 -0.12 2.57 2.07 -1.34 0.30 116.25 120.99 2gkn h VAL 59 Ca -0.19 -0.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.95 2gkn h VAL 59 Cb 2.04 -0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2gkn h VAL 59 CO 0.22 0.20 0.04 -0.33 0.02 0.00 0.00 177.57 177.72 2gkn h GLU 60 N 1.08 0.19 0.08 1.57 5.08 -1.28 -1.76 114.58 119.54 2gkn h GLU 60 Ca 0.31 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.63 2gkn h GLU 60 Cb -0.07 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.15 2gkn h GLU 60 CO -0.09 0.32 -0.04 0.35 -1.00 0.00 0.00 179.01 178.56 2gkn h PHE 61 N 0.02 -0.10 -0.73 4.33 3.57 -0.77 -2.19 116.94 121.07 2gkn h PHE 61 Ca 0.04 -0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2gkn h PHE 61 Cb 0.21 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.95 2gkn h PHE 61 CO -0.00 0.04 0.35 0.74 -2.23 0.00 0.00 178.31 177.21 2gkn h PHE 62 N -0.23 1.05 -0.84 0.41 0.05 -0.97 -0.86 116.94 115.54 2gkn h PHE 62 Ca -0.01 -0.05 -0.03 0.00 3.82 0.00 0.00 57.97 61.70 2gkn h PHE 62 Cb 0.19 -0.33 -0.04 0.00 2.00 0.00 0.00 35.95 37.78 2gkn h PHE 62 CO -0.03 0.77 0.42 0.00 -0.18 0.00 0.00 178.31 179.28 2gkn h ALA 63 N 1.18 1.15 -0.39 2.45 0.00 -1.28 -2.49 119.26 119.88 2gkn h ALA 63 Ca 0.25 -0.15 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2gkn h ALA 63 Cb 0.11 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2gkn h ALA 63 CO -0.03 0.65 -0.32 0.00 0.00 0.00 0.00 179.25 179.55 2gkn h ALA 64 N 1.27 0.57 0.00 0.00 0.00 -1.10 0.52 119.26 120.52 2gkn h ALA 64 Ca 0.29 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 2gkn h ALA 64 Cb 0.10 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 2gkn h ALA 64 CO -0.04 0.63 -0.08 0.00 0.00 0.00 0.00 179.25 179.76 2gkn h ALA 65 N 0.79 1.19 -0.08 0.00 0.00 -0.91 -3.10 119.26 117.15 2gkn h ALA 65 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2gkn h ALA 65 Cb 0.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.69 2gkn h ALA 65 CO 0.08 0.10 0.00 1.28 0.00 0.00 0.00 179.25 180.72 2gkn n LEU 66 N -3.47 2.09 0.00 0.00 4.77 -0.96 -4.98 117.00 114.45 2gkn n LEU 66 Ca -0.02 -1.20 0.00 0.00 -0.03 0.00 0.00 56.01 54.76 2gkn n LEU 66 Cb 0.23 -0.05 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 2gkn n LEU 66 CO 0.28 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.39 2gkn n GLY 67 N 0.58 1.09 3.77 -0.72 0.00 -1.09 -1.46 105.19 107.35 2gkn n GLY 67 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 2gkn n GLY 67 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2gkn s GLY 68 N -0.52 1.77 0.00 -0.02 0.00 0.18 -4.94 107.32 103.79 2gkn s GLY 68 Ca 0.00 0.33 0.27 0.00 0.00 0.00 0.00 44.72 45.32 2gkn s GLY 68 CO 0.00 0.68 1.69 -1.55 0.00 0.00 0.00 173.10 173.92 2gkn n PRO 69 N -3.33 0.09 -2.59 2.90 -0.04 -1.26 -4.58 135.00 126.19 2gkn n PRO 69 Ca 0.09 -0.03 -0.40 0.00 -0.04 0.00 0.00 63.50 63.12 2gkn n PRO 69 Cb 0.53 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.44 2gkn n PRO 69 CO 0.00 0.00 0.00 -1.83 -0.04 0.00 0.00 175.50 173.63 2gkn s GLU 70 N -2.93 4.72 0.33 0.54 1.03 -1.26 -5.02 118.70 116.10 2gkn s GLU 70 Ca 0.15 1.66 -0.27 0.00 0.03 0.00 0.00 54.97 56.53 2gkn s GLU 70 Cb 0.18 -3.24 -0.09 0.00 -0.80 0.00 0.00 34.13 30.18 2gkn s GLU 70 CO 0.60 0.31 1.09 -1.25 -1.33 0.00 0.00 175.26 174.68 2gkn s PRO 71 N -1.13 4.41 -0.18 -4.83 0.04 -1.26 -4.49 135.00 127.56 2gkn s PRO 71 Ca 0.44 1.71 -0.29 0.00 0.04 0.00 0.00 61.00 62.90 2gkn s PRO 71 Cb -0.29 -2.91 -0.00 0.00 0.04 0.00 0.00 34.50 31.34 2gkn s PRO 71 CO 0.36 0.03 1.04 -0.47 0.04 0.00 0.00 177.00 178.01 2gkn s TYR 72 N -1.36 3.38 -1.75 0.56 5.04 -1.26 -4.88 117.35 117.07 2gkn s TYR 72 Ca 0.50 1.49 0.19 0.00 -2.44 0.00 0.00 57.07 56.81 2gkn s TYR 72 Cb -0.28 -3.26 -0.00 0.00 0.35 0.00 0.00 41.96 38.77 2gkn s TYR 72 CO 0.36 -0.47 0.96 0.25 -1.34 0.00 0.00 175.55 175.32 2gkn n THR 73 N 5.02 0.00 -1.15 4.34 -2.24 -1.26 -5.00 114.28 113.98 2gkn n THR 73 Ca 0.11 -0.31 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 2gkn n THR 73 Cb 0.47 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 69.93 2gkn n THR 73 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gkn n GLY 74 N 1.27 -0.82 3.94 3.38 0.00 -1.26 -5.10 105.19 106.60 2gkn n GLY 74 Ca 0.08 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.15 2gkn n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gkn s ALA 75 N -3.81 3.78 0.37 4.61 0.00 -1.26 -5.05 121.76 120.40 2gkn s ALA 75 Ca 0.00 -0.96 -0.27 0.00 0.00 0.00 0.00 51.96 50.73 2gkn s ALA 75 Cb 0.00 -2.00 -0.12 0.00 0.00 0.00 0.00 23.12 21.01 2gkn s ALA 75 CO 0.00 0.16 1.24 -2.30 0.00 0.00 0.00 175.76 174.87 2gkn n PRO 76 N -1.39 1.96 -0.11 0.00 -0.02 -1.26 -4.83 135.00 129.35 2gkn n PRO 76 Ca -0.06 0.69 -0.05 0.00 -2.02 0.00 0.00 63.50 62.06 2gkn n PRO 76 Cb 0.56 -2.29 0.03 0.00 -0.02 0.00 0.00 33.50 31.78 2gkn n PRO 76 CO 0.00 0.00 0.00 0.52 1.98 0.00 0.00 175.50 178.00 2gkn h MET 77 N 2.31 0.19 -0.23 -0.52 2.86 -1.96 -2.14 114.93 115.44 2gkn h MET 77 Ca -0.46 -0.01 -0.01 0.00 -2.06 0.00 0.00 59.70 57.16 2gkn h MET 77 Cb 1.29 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 32.90 2gkn h MET 77 CO 0.61 0.13 0.12 -0.22 1.06 0.00 0.00 176.91 178.61 2gkn h LYS 78 N 0.20 0.33 -0.21 1.72 3.64 -1.91 -2.42 116.57 117.91 2gkn h LYS 78 Ca 0.18 -0.04 0.05 0.00 -1.27 0.00 0.00 60.65 59.57 2gkn h LYS 78 Cb 0.22 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 31.93 2gkn h LYS 78 CO -0.24 0.32 -0.07 0.37 -2.27 0.00 0.00 179.45 177.55 2gkn h GLN 79 N 0.25 -0.03 -0.37 1.90 4.15 -1.83 -0.80 115.11 118.38 2gkn h GLN 79 Ca 0.08 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.50 2gkn h GLN 79 Cb 0.09 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 27.77 2gkn h GLN 79 CO -0.01 -0.02 0.23 0.28 -1.93 0.00 0.00 178.83 177.38 2gkn h VAL 80 N -0.03 1.11 0.00 2.39 2.07 -1.31 -3.26 116.25 117.23 2gkn h VAL 80 Ca 0.11 -0.25 0.00 0.00 0.82 0.00 0.00 66.70 67.38 2gkn h VAL 80 Cb 0.20 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.57 2gkn h VAL 80 CO -0.24 0.11 -0.89 1.41 0.02 0.00 0.00 177.57 177.98 2gkn n HIS 81 N -4.80 0.24 -1.58 1.57 8.25 -0.92 -4.89 115.22 113.09 2gkn n HIS 81 Ca -0.00 0.07 -0.54 0.00 -0.26 0.00 0.00 57.72 56.99 2gkn n HIS 81 Cb 0.04 -0.41 -0.07 0.00 1.12 0.00 0.00 29.99 30.68 2gkn n HIS 81 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 2gkn n GLN 82 N -1.88 0.90 -1.74 -0.41 6.02 -0.31 -2.58 117.38 117.38 2gkn n GLN 82 Ca 0.03 0.33 -0.16 0.00 -0.01 0.00 0.00 57.00 57.18 2gkn n GLN 82 Cb 0.41 -1.94 -0.05 0.00 1.02 0.00 0.00 30.24 29.68 2gkn n GLN 82 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2gkn n GLY 83 N 2.46 1.03 0.86 1.08 0.00 -1.26 -4.87 105.19 104.49 2gkn n GLY 83 Ca 0.19 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.11 2gkn n GLY 83 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2gkn n ARG 84 N -2.54 2.17 -2.01 1.61 1.74 -1.06 -4.96 116.66 111.60 2gkn n ARG 84 Ca -0.17 -1.71 -0.09 0.00 -0.77 0.00 0.00 57.85 55.10 2gkn n ARG 84 Cb 0.57 -1.47 -0.01 0.00 -1.02 0.00 0.00 32.46 30.53 2gkn n ARG 84 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2gkn n GLY 85 N 1.32 0.19 3.66 -0.13 0.00 -1.26 -4.99 105.19 103.98 2gkn n GLY 85 Ca 0.16 -0.52 -0.42 0.00 0.00 0.00 0.00 46.02 45.24 2gkn n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2gkn s ILE 86 N -2.44 4.76 0.57 -0.61 1.01 -1.26 -4.95 121.20 118.28 2gkn s ILE 86 Ca 0.00 1.89 0.10 0.00 0.00 0.00 0.00 60.65 62.63 2gkn s ILE 86 Cb 0.00 -4.25 0.08 0.00 0.01 0.00 0.00 42.46 38.30 2gkn s ILE 86 CO 0.00 -0.09 0.77 0.42 0.00 0.00 0.00 174.94 176.05 2gkn s THR 87 N 2.71 2.16 0.33 2.92 -4.23 -1.26 0.27 115.64 118.54 2gkn s THR 87 Ca 0.42 -1.01 0.08 0.00 -1.18 0.00 0.00 61.69 59.99 2gkn s THR 87 Cb -0.16 -2.18 0.08 0.00 1.34 0.00 0.00 72.50 71.58 2gkn s THR 87 CO 0.10 0.00 1.78 -0.03 -0.54 0.00 0.00 174.62 175.92 2gkn h MET 88 N 0.21 0.24 -0.32 3.99 4.05 -1.97 -0.90 114.93 120.23 2gkn h MET 88 Ca -0.30 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.08 2gkn h MET 88 Cb 1.29 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 32.02 2gkn h MET 88 CO 0.41 0.53 -0.01 1.25 0.23 0.00 0.00 176.91 179.33 2gkn h HIS 89 N 0.21 -0.03 -0.49 1.39 -0.00 -1.99 0.12 115.15 114.37 2gkn h HIS 89 Ca 0.03 0.02 -0.07 0.00 -0.00 0.00 0.00 60.37 60.35 2gkn h HIS 89 Cb 0.66 0.06 -0.02 0.00 -0.00 0.00 0.00 27.41 28.11 2gkn h HIS 89 CO 0.01 -0.06 0.03 0.45 -0.00 0.00 0.00 177.93 178.35 2gkn h HIS 90 N 0.09 0.93 -0.12 5.26 -0.00 -1.79 -1.78 115.15 117.73 2gkn h HIS 90 Ca 0.16 -0.15 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 2gkn h HIS 90 Cb 0.21 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.37 2gkn h HIS 90 CO -0.24 0.87 0.07 0.35 -0.00 0.00 0.00 177.93 178.98 2gkn h PHE 91 N 0.72 0.15 -0.79 2.45 3.57 -1.01 -1.28 116.94 120.75 2gkn h PHE 91 Ca 0.14 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.66 2gkn h PHE 91 Cb 0.48 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 39.13 2gkn h PHE 91 CO 0.04 0.13 0.52 0.77 -2.23 0.00 0.00 178.31 177.54 2gkn h SER 92 N 0.14 0.89 -0.46 0.41 0.02 -0.66 0.16 113.55 114.04 2gkn h SER 92 Ca 0.04 -0.02 -0.12 0.00 -0.84 0.00 0.00 61.79 60.85 2gkn h SER 92 Cb 0.02 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.32 2gkn h SER 92 CO -0.01 0.63 -0.18 -0.07 -1.14 0.00 0.00 176.83 176.06 2gkn h LEU 93 N 1.04 0.98 0.01 5.07 3.38 -1.04 0.82 115.31 125.57 2gkn h LEU 93 Ca 0.30 -0.36 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2gkn h LEU 93 Cb -0.08 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.40 2gkn h LEU 93 CO -0.07 1.14 -0.00 0.58 0.09 0.00 0.00 178.44 180.17 2gkn h VAL 94 N 0.84 1.21 -0.82 1.22 2.07 -0.66 -2.17 116.25 117.94 2gkn h VAL 94 Ca 0.12 -0.64 0.12 0.00 0.82 0.00 0.00 66.70 67.12 2gkn h VAL 94 Cb 0.75 1.64 -0.08 0.00 -1.52 0.00 0.00 31.29 32.07 2gkn h VAL 94 CO 0.06 0.16 0.44 0.00 0.02 0.00 0.00 177.57 178.25 2gkn h ALA 95 N 0.71 1.20 -0.93 1.67 0.00 -0.65 -1.44 119.26 119.81 2gkn h ALA 95 Ca -0.00 0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.98 2gkn h ALA 95 Cb 0.28 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 2gkn h ALA 95 CO 0.00 -0.01 0.61 0.78 0.00 0.00 0.00 179.25 180.64 2gkn h GLY 96 N 0.69 1.32 2.00 0.00 0.00 -0.68 -1.83 103.07 104.56 2gkn h GLY 96 Ca 0.42 -0.50 -0.12 0.00 0.00 0.00 0.00 47.33 47.13 2gkn h GLY 96 CO -0.30 0.49 -0.58 0.45 0.00 0.00 0.00 176.54 176.60 2gkn h HIS 97 N 1.27 0.00 -0.18 5.60 3.86 -0.66 -1.75 115.15 123.29 2gkn h HIS 97 Ca 0.34 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2gkn h HIS 97 Cb -0.14 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.32 2gkn h HIS 97 CO 0.00 0.58 0.06 1.25 0.86 0.00 0.00 177.93 180.67 2gkn h LEU 98 N 0.00 0.26 -0.96 2.43 5.85 -0.89 -0.51 115.31 121.48 2gkn h LEU 98 Ca -0.01 -0.20 -0.00 0.00 0.84 0.00 0.00 57.88 58.51 2gkn h LEU 98 Cb 1.04 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 41.95 2gkn h LEU 98 CO 0.07 0.39 0.59 0.00 -0.34 0.00 0.00 178.44 179.16 2gkn h ALA 99 N 0.88 1.22 -0.52 1.25 0.00 -1.24 -0.16 119.26 120.69 2gkn h ALA 99 Ca 0.06 -0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2gkn h ALA 99 Cb 0.23 -0.39 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 2gkn h ALA 99 CO -0.00 0.66 0.04 -0.44 0.00 0.00 0.00 179.25 179.51 2gkn h ASP 100 N 1.32 0.87 -0.47 0.00 3.32 -1.23 -0.07 116.42 120.15 2gkn h ASP 100 Ca 0.35 -0.29 -0.02 0.00 0.02 0.00 0.00 57.03 57.09 2gkn h ASP 100 Cb -0.08 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.22 2gkn h ASP 100 CO -0.07 0.94 0.21 0.00 -1.72 0.00 0.00 179.24 178.60 2gkn h ALA 101 N 0.96 0.61 -0.12 3.45 0.00 -0.76 -1.73 119.26 121.68 2gkn h ALA 101 Ca 0.15 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 2gkn h ALA 101 Cb 0.47 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.07 2gkn h ALA 101 CO 0.02 0.20 0.04 -0.07 0.00 0.00 0.00 179.25 179.44 2gkn h LEU 102 N 0.62 0.17 -0.71 0.00 3.38 -0.81 -2.41 115.31 115.55 2gkn h LEU 102 Ca 0.16 -0.19 0.14 0.00 0.09 0.00 0.00 57.88 58.08 2gkn h LEU 102 Cb 0.16 -0.04 -0.09 0.00 0.09 0.00 0.00 40.66 40.77 2gkn h LEU 102 CO -0.02 0.31 0.24 0.74 0.09 0.00 0.00 178.44 179.80 2gkn h THR 103 N 0.01 0.63 -0.01 0.22 2.02 -0.98 -2.11 112.91 112.69 2gkn h THR 103 Ca 0.04 -0.13 -0.06 0.00 0.77 0.00 0.00 66.41 67.03 2gkn h THR 103 Cb 0.20 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 2gkn h THR 103 CO -0.00 0.07 -0.30 0.00 0.37 0.00 0.00 175.52 175.66 2gkn h ALA 104 N 1.54 1.48 -0.02 6.16 0.00 -1.10 -1.36 119.26 125.96 2gkn h ALA 104 Ca 0.39 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2gkn h ALA 104 Cb 0.59 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.33 2gkn h ALA 104 CO -0.42 0.39 0.00 0.00 0.00 0.00 0.00 179.25 179.22 2gkn n ALA 105 N -2.48 2.63 -1.23 0.00 0.00 -0.85 -4.91 120.51 113.67 2gkn n ALA 105 Ca -0.02 -0.22 -0.01 0.00 0.00 0.00 0.00 53.44 53.19 2gkn n ALA 105 Cb 0.35 -1.36 -0.00 0.00 0.00 0.00 0.00 19.45 18.44 2gkn n ALA 105 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2gkn n GLY 106 N 0.94 0.43 3.71 0.00 0.00 -0.51 -5.02 105.19 104.73 2gkn n GLY 106 Ca 0.19 -1.01 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2gkn n GLY 106 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2gkn s VAL 107 N -2.04 3.58 0.31 1.61 1.01 -0.86 -4.98 120.40 119.03 2gkn s VAL 107 Ca 0.00 1.11 -0.28 0.00 0.00 0.00 0.00 61.98 62.81 2gkn s VAL 107 Cb 0.00 -3.71 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 2gkn s VAL 107 CO 0.00 0.07 1.10 -2.65 0.00 0.00 0.00 175.10 173.62 2gkn n PRO 108 N 4.20 1.61 0.21 2.72 -0.02 -1.26 -4.54 135.00 137.92 2gkn n PRO 108 Ca 0.11 0.56 0.05 0.00 -2.02 0.00 0.00 63.50 62.20 2gkn n PRO 108 Cb 0.44 -2.01 0.47 0.00 -0.02 0.00 0.00 33.50 32.38 2gkn n PRO 108 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2gkn h SER 109 N 2.16 0.00 -0.37 2.55 4.64 -1.99 -1.90 113.55 118.64 2gkn h SER 109 Ca -0.42 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.83 2gkn h SER 109 Cb 1.32 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.39 2gkn h SER 109 CO 0.61 0.23 -0.01 -0.33 -0.87 0.00 0.00 176.83 176.47 2gkn h GLU 110 N 0.00 0.75 -0.07 4.77 5.08 -2.00 -1.88 114.58 121.24 2gkn h GLU 110 Ca -0.00 -0.20 -0.15 0.00 -1.00 0.00 0.00 59.36 58.01 2gkn h GLU 110 Cb 0.42 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 2gkn h GLU 110 CO 0.03 0.77 -0.60 1.15 -1.00 0.00 0.00 179.01 179.36 2gkn h THR 111 N 0.70 1.38 -0.09 1.13 2.02 -1.73 -2.51 112.91 113.82 2gkn h THR 111 Ca 0.14 -1.97 -0.02 0.00 0.77 0.00 0.00 66.41 65.33 2gkn h THR 111 Cb 0.44 1.99 -0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2gkn h THR 111 CO 0.02 0.58 -0.02 0.40 0.37 0.00 0.00 175.52 176.87 2gkn h ILE 112 N 0.18 1.29 -0.87 3.11 2.04 -1.23 -1.45 117.51 120.58 2gkn h ILE 112 Ca -0.01 -0.94 0.16 0.00 1.00 0.00 0.00 64.86 65.07 2gkn h ILE 112 Cb 1.10 1.75 -0.10 0.00 -0.74 0.00 0.00 36.82 38.83 2gkn h ILE 112 CO 0.09 0.26 0.45 0.74 0.00 0.00 0.00 178.15 179.70 2gkn h THR 113 N -0.17 0.70 -0.53 -0.27 2.02 -1.38 0.60 112.91 113.89 2gkn h THR 113 Ca 0.02 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 66.95 2gkn h THR 113 Cb 0.42 0.03 -0.03 0.00 -1.74 0.00 0.00 68.15 66.84 2gkn h THR 113 CO 0.01 0.11 0.18 -0.08 0.37 0.00 0.00 175.52 176.12 2gkn h GLU 114 N 0.62 0.77 -0.09 6.66 4.81 -1.21 -2.52 114.58 123.63 2gkn h GLU 114 Ca 0.49 -0.12 -0.14 0.00 -0.13 0.00 0.00 59.36 59.46 2gkn h GLU 114 Cb 0.72 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.97 2gkn h GLU 114 CO -0.38 0.65 -0.48 0.82 -0.73 0.00 0.00 179.01 178.90 2gkn h ILE 115 N 0.76 1.38 -0.41 2.32 2.04 0.01 -2.99 117.51 120.62 2gkn h ILE 115 Ca 0.18 -1.83 0.12 0.00 1.00 0.00 0.00 64.86 64.33 2gkn h ILE 115 Cb 0.19 2.25 -0.02 0.00 -0.74 0.00 0.00 36.82 38.50 2gkn h ILE 115 CO -0.01 0.54 0.45 -0.07 0.00 0.00 0.00 178.15 179.06 2gkn h LEU 116 N 0.05 0.00 0.00 1.44 -0.00 -0.86 -1.11 115.31 114.83 2gkn h LEU 116 Ca -0.03 0.00 -0.17 0.00 -0.00 0.00 0.00 57.88 57.68 2gkn h LEU 116 Cb 1.13 0.00 -0.02 0.00 -0.00 0.00 0.00 40.66 41.76 2gkn h LEU 116 CO 0.10 0.00 -0.83 1.23 -0.00 0.00 0.00 178.44 178.93 2gkn h GLY 117 N 0.00 0.00 1.67 0.83 0.00 -1.31 0.16 103.07 104.42 2gkn h GLY 117 Ca 0.19 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.31 2gkn h GLY 117 CO -0.00 0.00 -0.94 -2.08 0.00 0.00 0.00 176.54 173.52 2gkn h VAL 118 N 0.00 1.46 0.12 4.60 2.07 -1.20 -3.39 116.25 119.91 2gkn h VAL 118 Ca -0.02 -2.60 -0.25 0.00 0.82 0.00 0.00 66.70 64.66 2gkn h VAL 118 Cb 1.62 2.49 0.00 0.00 -1.52 0.00 0.00 31.29 33.89 2gkn h VAL 118 CO 0.10 0.76 -1.23 0.40 0.02 0.00 0.00 177.57 177.62 2gkn h ILE 119 N 0.15 1.17 -0.56 4.57 1.08 -1.16 -3.39 117.51 119.37 2gkn h ILE 119 Ca -0.07 -2.43 0.11 0.00 -0.39 0.00 0.00 64.86 62.09 2gkn h ILE 119 Cb 1.58 2.84 -0.11 0.00 -3.07 0.00 0.00 36.82 38.06 2gkn h ILE 119 CO 0.15 0.70 -0.12 0.00 -0.69 0.00 0.00 178.15 178.18 2gkn h ALA 120 N -0.02 0.39 -0.49 1.87 0.00 -0.88 0.56 119.26 120.70 2gkn h ALA 120 Ca -0.26 0.21 0.14 0.00 0.00 0.00 0.00 54.91 55.01 2gkn h ALA 120 Cb 1.71 0.41 -0.02 0.00 0.00 0.00 0.00 17.79 19.89 2gkn h ALA 120 CO 0.08 -0.43 0.48 -1.35 0.00 0.00 0.00 179.25 178.03 2gkn h PRO 121 N 0.01 0.00 0.00 0.00 0.11 -1.77 -1.66 132.00 128.69 2gkn h PRO 121 Ca 0.27 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.37 2gkn h PRO 121 Cb 0.42 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.53 2gkn h PRO 121 CO -0.57 0.00 -0.05 -0.07 -0.21 0.00 0.00 178.00 177.10 2gkn h LEU 122 N 0.00 0.00 -1.76 2.35 3.38 -1.08 -2.86 115.31 115.34 2gkn h LEU 122 Ca 0.23 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.42 2gkn h LEU 122 Cb 1.20 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.90 2gkn h LEU 122 CO -0.00 0.05 0.59 0.00 0.09 0.00 0.00 178.44 179.16 2gkn h ALA 123 N 1.95 2.49 -0.66 1.53 0.00 -1.41 -0.86 119.26 122.30 2gkn h ALA 123 Ca -0.00 -0.01 0.13 0.00 0.00 0.00 0.00 54.91 55.03 2gkn h ALA 123 Cb 0.22 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.94 2gkn h ALA 123 CO 0.01 -0.75 0.18 0.28 0.00 0.00 0.00 179.25 178.97 2gkn h VAL 124 N 0.20 0.63 0.06 0.00 2.07 -1.73 -0.21 116.25 117.27 2gkn h VAL 124 Ca 0.42 -0.11 -0.24 0.00 0.82 0.00 0.00 66.70 67.59 2gkn h VAL 124 Cb 1.35 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 2gkn h VAL 124 CO -0.09 0.06 -1.11 0.44 0.02 0.00 0.00 177.57 176.89 2gkn h ASP 125 N 0.31 0.22 0.01 0.57 3.32 -1.41 -3.38 116.42 116.06 2gkn h ASP 125 Ca 0.36 -0.23 -0.17 0.00 0.02 0.00 0.00 57.03 57.00 2gkn h ASP 125 Cb 0.54 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 40.03 2gkn h ASP 125 CO -0.42 1.17 -0.68 0.58 -1.72 0.00 0.00 179.24 178.17 2gkn h VAL 126 N 0.04 1.41 -3.07 -1.35 2.07 -0.95 -3.39 116.25 111.01 2gkn h VAL 126 Ca -0.07 -2.13 -0.45 0.00 0.82 0.00 0.00 66.70 64.87 2gkn h VAL 126 Cb 1.86 2.60 0.06 0.00 -1.52 0.00 0.00 31.29 34.29 2gkn h VAL 126 CO 0.17 0.63 0.09 0.42 0.02 0.00 0.00 177.57 178.90 2gkn s THR 127 N -3.18 2.46 -1.24 2.57 -4.23 -0.13 -4.63 115.64 107.26 2gkn s THR 127 Ca -0.13 -0.48 0.10 0.00 -1.18 0.00 0.00 61.69 60.00 2gkn s THR 127 Cb 0.04 -2.98 0.08 0.00 1.34 0.00 0.00 72.50 70.97 2gkn s THR 127 CO 0.84 0.00 0.81 -1.54 -0.54 0.00 0.00 174.62 174.19