#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 0.90 -0.39 0.99 5.85 -1.98 -2.16 115.31 118.52 2gkn h LEU 3 Ca 0.00 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2gkn h LEU 3 Cb 0.00 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 2gkn h LEU 3 CO 0.00 0.87 0.21 0.25 -0.34 0.00 0.00 178.44 179.43 2gkn h LEU 4 N 0.93 0.49 -0.69 2.25 5.85 -2.02 -0.31 115.31 121.80 2gkn h LEU 4 Ca 0.20 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.85 2gkn h LEU 4 Cb 0.31 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 2gkn h LEU 4 CO -0.00 0.45 0.43 0.28 -0.34 0.00 0.00 178.44 179.26 2gkn h SER 5 N 0.50 0.72 0.80 1.25 0.02 -1.97 -2.89 113.55 111.98 2gkn h SER 5 Ca 0.14 -0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.99 2gkn h SER 5 Cb 0.07 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 2gkn h SER 5 CO -0.02 0.50 -0.46 0.03 -1.14 0.00 0.00 176.83 175.74 2gkn h ARG 6 N 0.85 0.00 0.00 3.45 3.08 -0.93 -2.59 114.38 118.25 2gkn h ARG 6 Ca 0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.33 2gkn h ARG 6 Cb 0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2gkn h ARG 6 CO -0.10 0.46 0.00 -0.07 -1.07 0.00 0.00 179.97 179.18 2gkn h LEU 7 N 0.00 0.00 0.00 3.04 3.38 -0.92 -0.20 115.31 120.61 2gkn h LEU 7 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2gkn h LEU 7 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2gkn h LEU 7 CO 0.06 0.00 -0.87 0.54 0.09 0.00 0.00 178.44 178.26 2gkn n ARG 8 N -2.61 0.28 -0.10 1.13 1.74 -1.01 -3.20 116.66 112.89 2gkn n ARG 8 Ca 0.04 0.03 0.11 0.00 -0.77 0.00 0.00 57.85 57.26 2gkn n ARG 8 Cb 0.43 -1.62 0.31 0.00 -1.02 0.00 0.00 32.46 30.55 2gkn n ARG 8 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2gkn n LYS 9 N -2.00 2.03 -3.14 5.56 5.02 -1.01 -4.95 118.16 119.67 2gkn n LYS 9 Ca 0.02 -1.54 -0.23 0.00 -2.02 0.00 0.00 58.31 54.54 2gkn n LYS 9 Cb 0.43 -1.44 0.04 0.00 -0.02 0.00 0.00 35.03 34.04 2gkn n LYS 9 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2gkn n ARG 10 N 0.78 -5.22 -2.72 1.97 1.74 -1.16 -5.00 116.66 107.05 2gkn n ARG 10 Ca 0.17 0.87 -0.41 0.00 -0.77 0.00 0.00 57.85 57.71 2gkn n ARG 10 Cb 0.44 -5.75 -0.04 0.00 -1.02 0.00 0.00 32.46 26.09 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 -5.82 4.68 0.56 5.56 2.02 -0.10 -5.03 118.70 120.57 2gkn s GLU 11 Ca 0.35 1.46 -0.19 0.00 0.02 0.00 0.00 54.97 56.61 2gkn s GLU 11 Cb -0.16 -3.38 -0.05 0.00 0.10 0.00 0.00 34.13 30.64 2gkn s GLU 11 CO 0.44 0.18 1.15 -1.25 0.02 0.00 0.00 175.26 175.80 2gkn s PRO 12 N 0.09 3.26 0.10 0.39 0.04 -1.26 -4.52 135.00 133.10 2gkn s PRO 12 Ca 0.48 1.68 -0.31 0.00 0.04 0.00 0.00 61.00 62.88 2gkn s PRO 12 Cb -0.23 -1.99 -0.09 0.00 0.04 0.00 0.00 34.50 32.22 2gkn s PRO 12 CO 0.30 -0.94 1.71 0.42 0.04 0.00 0.00 177.00 178.52 2gkn s ILE 13 N -1.72 2.78 0.66 0.56 1.01 -1.26 -5.00 121.20 118.24 2gkn s ILE 13 Ca 0.74 0.31 -0.06 0.00 0.00 0.00 0.00 60.65 61.64 2gkn s ILE 13 Cb -0.26 -3.20 0.04 0.00 0.01 0.00 0.00 42.46 39.05 2gkn s ILE 13 CO 0.29 0.00 0.97 -0.94 0.00 0.00 0.00 174.94 175.26 2gkn s SER 14 N 2.34 5.09 0.22 3.58 1.04 -1.26 -4.93 113.70 119.78 2gkn s SER 14 Ca 0.76 0.53 -0.09 0.00 0.48 0.00 0.00 55.95 57.63 2gkn s SER 14 Cb -0.43 -1.30 0.17 0.00 0.10 0.00 0.00 66.02 64.56 2gkn s SER 14 CO 0.34 -1.40 1.86 0.40 0.98 0.00 0.00 173.24 175.41 2gkn h ILE 15 N -0.44 1.22 -0.31 -1.02 2.04 -1.87 -1.11 117.51 116.02 2gkn h ILE 15 Ca -0.45 -0.48 0.07 0.00 1.00 0.00 0.00 64.86 65.00 2gkn h ILE 15 Cb 1.30 0.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.39 2gkn h ILE 15 CO 0.60 0.23 -0.35 0.22 0.00 0.00 0.00 178.15 178.85 2gkn h TYR 16 N 1.10 -0.99 0.00 1.37 3.20 -1.50 -0.76 116.97 119.39 2gkn h TYR 16 Ca 0.29 0.05 -0.12 0.00 3.14 0.00 0.00 58.73 62.09 2gkn h TYR 16 Cb -0.05 0.48 -0.02 0.00 1.54 0.00 0.00 36.73 38.68 2gkn h TYR 16 CO -0.01 -0.41 -0.59 -0.44 -1.64 0.00 0.00 178.16 175.07 2gkn h ASP 17 N -0.32 0.00 -0.45 -2.11 3.45 -1.83 0.33 116.42 115.49 2gkn h ASP 17 Ca 0.14 0.00 -0.06 0.00 0.43 0.00 0.00 57.03 57.54 2gkn h ASP 17 Cb 0.56 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 39.31 2gkn h ASP 17 CO -0.49 0.59 0.05 0.50 -1.57 0.00 0.00 179.24 178.32 2gkn h LYS 18 N 0.00 0.76 0.00 3.56 3.64 -0.67 -3.17 116.57 120.69 2gkn h LYS 18 Ca -0.01 -0.22 0.00 0.00 -1.27 0.00 0.00 60.65 59.16 2gkn h LYS 18 Cb 1.16 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2gkn h LYS 18 CO 0.08 0.80 -0.47 0.44 -2.27 0.00 0.00 179.45 178.02 2gkn n ILE 19 N -4.44 0.39 0.00 2.00 -5.35 -0.34 -4.92 119.36 106.70 2gkn n ILE 19 Ca 0.00 -0.26 0.00 0.00 -0.27 0.00 0.00 62.75 62.22 2gkn n ILE 19 Cb 0.27 -0.22 0.00 0.00 -1.74 0.00 0.00 39.64 37.95 2gkn n ILE 19 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2gkn n GLY 20 N 1.34 0.65 7.00 3.28 0.00 -1.12 -4.84 105.19 111.50 2gkn n GLY 20 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.61 0.27 -0.02 0.00 0.11 -3.74 105.19 100.20 2gkn n GLY 21 Ca 0.00 -1.33 -0.01 0.00 0.00 0.00 0.00 46.02 44.68 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 0.72 -0.80 1.61 2.76 -1.99 -2.44 115.15 115.01 2gkn h HIS 22 Ca 0.00 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2gkn h HIS 22 Cb 0.00 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.70 2gkn h HIS 22 CO 0.00 0.34 0.42 0.93 -1.30 0.00 0.00 177.93 178.32 2gkn h GLU 23 N 0.71 1.12 -0.09 5.26 5.08 -1.99 -1.37 114.58 123.30 2gkn h GLU 23 Ca 0.32 -0.14 -0.12 0.00 -1.00 0.00 0.00 59.36 58.42 2gkn h GLU 23 Cb 0.21 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2gkn h GLU 23 CO -0.19 0.84 -0.48 0.00 -1.00 0.00 0.00 179.01 178.17 2gkn h ALA 24 N 1.22 1.01 0.00 3.43 0.00 -1.55 -2.83 119.26 120.55 2gkn h ALA 24 Ca 0.28 -0.46 -0.20 0.00 0.00 0.00 0.00 54.91 54.53 2gkn h ALA 24 Cb 0.05 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2gkn h ALA 24 CO -0.04 0.64 -0.87 0.82 0.00 0.00 0.00 179.25 179.80 2gkn h ILE 25 N 0.19 1.49 -0.50 0.00 2.04 -1.17 -2.46 117.51 117.11 2gkn h ILE 25 Ca 0.01 -2.61 0.03 0.00 1.00 0.00 0.00 64.86 63.29 2gkn h ILE 25 Cb 0.92 2.46 -0.04 0.00 -0.74 0.00 0.00 36.82 39.42 2gkn h ILE 25 CO 0.07 0.76 0.28 -0.33 0.00 0.00 0.00 178.15 178.93 2gkn h GLU 26 N 0.11 0.53 -0.51 2.37 5.08 -1.14 -0.12 114.58 120.90 2gkn h GLU 26 Ca -0.04 -0.03 -0.10 0.00 -1.00 0.00 0.00 59.36 58.18 2gkn h GLU 26 Cb 1.50 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.61 2gkn h GLU 26 CO 0.13 0.35 -0.08 0.28 -1.00 0.00 0.00 179.01 178.69 2gkn h VAL 27 N 0.55 1.26 0.02 3.13 2.07 -1.44 -2.32 116.25 119.53 2gkn h VAL 27 Ca 0.21 -1.19 -0.00 0.00 0.82 0.00 0.00 66.70 66.54 2gkn h VAL 27 Cb 0.07 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2gkn h VAL 27 CO -0.12 0.42 -0.01 0.58 0.02 0.00 0.00 177.57 178.46 2gkn h VAL 28 N 0.83 1.29 -0.57 2.57 2.07 -1.10 -2.69 116.25 118.65 2gkn h VAL 28 Ca 0.14 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.68 2gkn h VAL 28 Cb 0.61 1.95 -0.03 0.00 -1.52 0.00 0.00 31.29 32.29 2gkn h VAL 28 CO 0.04 0.25 0.37 0.58 0.02 0.00 0.00 177.57 178.83 2gkn h VAL 29 N -0.46 1.15 -0.00 2.57 2.07 -1.07 0.19 116.25 120.69 2gkn h VAL 29 Ca -0.00 -0.27 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2gkn h VAL 29 Cb 0.44 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 2gkn h VAL 29 CO 0.01 0.14 -0.03 -0.08 0.02 0.00 0.00 177.57 177.63 2gkn h GLU 30 N 0.77 -0.05 0.00 1.57 4.57 -1.40 -2.55 114.58 117.48 2gkn h GLU 30 Ca 0.21 0.00 -0.12 0.00 -1.18 0.00 0.00 59.36 58.27 2gkn h GLU 30 Cb -0.09 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.50 2gkn h GLU 30 CO -0.04 -0.03 -0.59 0.22 -1.18 0.00 0.00 179.01 177.38 2gkn h ASP 31 N -0.05 0.00 0.07 1.04 3.58 -1.07 -3.22 116.42 116.77 2gkn h ASP 31 Ca 0.01 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.48 2gkn h ASP 31 Cb 0.07 0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.10 2gkn h ASP 31 CO -0.03 0.59 -0.13 0.15 -2.88 0.00 0.00 179.24 176.94 2gkn h PHE 32 N 0.00 -0.33 0.00 0.28 3.57 -0.42 -2.58 116.94 117.46 2gkn h PHE 32 Ca -0.01 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.50 2gkn h PHE 32 Cb 1.06 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2gkn h PHE 32 CO 0.00 -0.19 0.00 1.88 -2.23 0.00 0.00 178.31 177.77 2gkn h TYR 33 N -0.25 0.00 -0.42 0.41 -1.99 -1.54 -1.35 116.97 111.83 2gkn h TYR 33 Ca 0.02 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.72 2gkn h TYR 33 Cb 0.27 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 38.98 2gkn h TYR 33 CO -0.15 0.00 0.12 0.28 -0.00 0.00 0.00 178.16 178.41 2gkn h VAL 34 N 0.00 1.22 -0.39 -2.88 2.07 -1.48 -1.90 116.25 112.89 2gkn h VAL 34 Ca 0.00 -0.75 -0.14 0.00 0.82 0.00 0.00 66.70 66.64 2gkn h VAL 34 Cb 0.56 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2gkn h VAL 34 CO 0.00 0.26 -0.30 0.03 0.02 0.00 0.00 177.57 177.59 2gkn h ARG 35 N 0.54 0.85 -0.15 1.57 3.08 -1.00 -2.68 114.38 116.59 2gkn h ARG 35 Ca 0.13 -0.39 -0.05 0.00 0.07 0.00 0.00 59.98 59.74 2gkn h ARG 35 Cb 0.28 -0.01 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 2gkn h ARG 35 CO -0.00 1.03 -0.12 0.28 -1.07 0.00 0.00 179.97 180.09 2gkn h VAL 36 N 0.72 1.33 0.00 2.04 2.07 -1.29 -2.68 116.25 118.44 2gkn h VAL 36 Ca 0.08 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.37 2gkn h VAL 36 Cb 0.85 1.82 0.00 0.00 -1.52 0.00 0.00 31.29 32.44 2gkn h VAL 36 CO 0.07 0.36 0.00 0.18 0.02 0.00 0.00 177.57 178.21 2gkn n LEU 37 N -4.59 0.00 0.05 2.57 4.77 -0.72 -2.24 117.00 116.84 2gkn n LEU 37 Ca -0.06 0.46 0.11 0.00 -0.03 0.00 0.00 56.01 56.49 2gkn n LEU 37 Cb 0.34 -0.46 -0.08 0.00 -2.33 0.00 0.00 43.42 40.89 2gkn n LEU 37 CO 0.39 -0.10 -0.34 0.00 -1.33 0.00 0.00 177.39 176.01 2gkn n ALA 38 N -1.46 2.73 -2.58 -1.18 0.00 -1.01 -4.80 120.51 112.20 2gkn n ALA 38 Ca 0.07 -0.38 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2gkn n ALA 38 Cb 0.25 -0.93 -0.02 0.00 0.00 0.00 0.00 19.45 18.75 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 -4.87 7.00 0.46 0.00 3.68 -0.95 -4.92 116.67 117.07 2gkn s ASP 39 Ca -0.04 1.38 0.32 0.00 2.13 0.00 0.00 52.55 56.34 2gkn s ASP 39 Cb 0.12 -2.54 1.48 0.00 -1.45 0.00 0.00 42.92 40.52 2gkn s ASP 39 CO 0.85 -0.76 1.95 0.44 0.13 0.00 0.00 175.17 177.77 2gkn h ASP 40 N 7.89 0.00 0.48 -0.34 3.32 -1.89 -1.01 116.42 124.86 2gkn h ASP 40 Ca -0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.83 2gkn h ASP 40 Cb 1.07 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.62 2gkn h ASP 40 CO 0.99 0.00 -0.19 0.00 -1.72 0.00 0.00 179.24 178.32 2gkn n GLN 41 N -2.72 0.45 0.00 3.56 6.02 -1.26 -4.30 117.38 119.13 2gkn n GLN 41 Ca -0.00 -0.18 0.00 0.00 -0.01 0.00 0.00 57.00 56.81 2gkn n GLN 41 Cb 0.19 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 29.95 2gkn n GLN 41 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2gkn n LEU 42 N -1.12 0.00 -0.29 1.08 4.77 -0.87 -4.89 117.00 115.68 2gkn n LEU 42 Ca 0.11 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.16 2gkn n LEU 42 Cb 0.31 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.62 2gkn n LEU 42 CO 0.27 0.00 1.10 -1.28 -1.33 0.00 0.00 177.39 176.15 2gkn h SER 43 N 0.00 0.52 0.32 -1.43 0.87 -1.32 -2.40 113.55 110.11 2gkn h SER 43 Ca 0.00 0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.62 2gkn h SER 43 Cb 0.24 0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2gkn h SER 43 CO 0.00 0.22 -0.13 0.00 -0.53 0.00 0.00 176.83 176.39 2gkn h ALA 44 N 1.56 1.37 0.00 6.23 0.00 -1.86 -2.40 119.26 124.15 2gkn h ALA 44 Ca 0.46 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.21 2gkn h ALA 44 Cb 0.65 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 2gkn h ALA 44 CO -0.36 0.16 -0.18 0.74 0.00 0.00 0.00 179.25 179.61 2gkn h PHE 45 N 0.00 0.00 -0.67 0.00 -1.00 -1.80 -3.03 116.94 110.43 2gkn h PHE 45 Ca -0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 2gkn h PHE 45 Cb 0.32 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.88 2gkn h PHE 45 CO 0.00 0.18 0.00 1.19 -1.61 0.00 0.00 178.31 178.07 2gkn n PHE 46 N -3.78 0.93 -2.12 -0.55 3.01 -0.90 -4.91 117.46 109.13 2gkn n PHE 46 Ca -0.02 -0.51 -0.43 0.00 1.01 0.00 0.00 57.45 57.51 2gkn n PHE 46 Cb 0.28 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 39.71 2gkn n PHE 46 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 2gkn s SER 47 N -1.00 6.61 0.00 4.37 0.15 -1.15 -2.48 113.70 120.21 2gkn s SER 47 Ca 0.45 1.91 0.00 0.00 0.70 0.00 0.00 55.95 59.02 2gkn s SER 47 Cb 0.24 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 62.02 2gkn s SER 47 CO 0.30 -1.02 0.00 0.61 1.20 0.00 0.00 173.24 174.34 2gkn n GLY 48 N 4.22 0.49 3.85 9.45 0.00 -1.26 -5.06 105.19 116.89 2gkn n GLY 48 Ca 0.17 -0.81 -0.35 0.00 0.00 0.00 0.00 46.02 45.03 2gkn n GLY 48 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2gkn s THR 49 N -2.00 5.26 -0.79 2.61 -4.23 -1.03 -5.04 115.64 110.41 2gkn s THR 49 Ca 0.00 -0.01 -0.25 0.00 -1.18 0.00 0.00 61.69 60.24 2gkn s THR 49 Cb 0.00 -3.34 -0.01 0.00 1.34 0.00 0.00 72.50 70.49 2gkn s THR 49 CO 0.00 0.51 1.70 0.21 -0.54 0.00 0.00 174.62 176.50 2gkn s ASN 50 N -1.33 5.62 0.29 3.99 3.84 -1.26 -4.85 114.94 121.23 2gkn s ASN 50 Ca 0.19 -0.42 -0.00 0.00 0.21 0.00 0.00 52.86 52.83 2gkn s ASN 50 Cb -0.12 -2.55 0.43 0.00 -0.55 0.00 0.00 41.25 38.46 2gkn s ASN 50 CO 0.09 -2.23 1.82 0.24 -2.79 0.00 0.00 177.10 174.23 2gkn h MET 51 N 12.02 0.75 -0.27 0.43 2.86 -1.96 0.17 114.93 128.92 2gkn h MET 51 Ca -0.08 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 57.39 2gkn h MET 51 Cb 1.07 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 32.61 2gkn h MET 51 CO 1.27 0.71 0.16 1.03 1.06 0.00 0.00 176.91 181.14 2gkn h SER 52 N 0.71 0.32 -0.50 1.22 0.87 -2.00 0.61 113.55 114.79 2gkn h SER 52 Ca 0.15 -0.05 -0.09 0.00 -1.23 0.00 0.00 61.79 60.58 2gkn h SER 52 Cb 0.34 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.20 2gkn h SER 52 CO 0.01 0.27 -0.02 -0.09 -0.53 0.00 0.00 176.83 176.47 2gkn h ARG 53 N 0.34 0.90 -0.61 2.24 2.43 -1.87 -2.60 114.38 115.20 2gkn h ARG 53 Ca 0.10 -0.30 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 2gkn h ARG 53 Cb 0.01 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.46 2gkn h ARG 53 CO -0.02 0.94 0.35 1.25 -1.51 0.00 0.00 179.97 180.98 2gkn h LEU 54 N 0.76 0.75 -0.18 3.80 5.85 -0.48 -2.56 115.31 123.24 2gkn h LEU 54 Ca 0.14 -0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2gkn h LEU 54 Cb 0.55 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.35 2gkn h LEU 54 CO 0.03 0.60 -0.08 0.11 -0.34 0.00 0.00 178.44 178.76 2gkn h LYS 55 N 0.83 -0.06 -0.45 1.25 1.57 -0.75 -0.18 116.57 118.78 2gkn h LYS 55 Ca 0.22 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.08 2gkn h LYS 55 Cb 0.01 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.27 2gkn h LYS 55 CO -0.04 -0.04 0.06 0.78 -0.57 0.00 0.00 179.45 179.65 2gkn h GLY 56 N -0.06 0.51 1.33 3.86 0.00 -1.28 0.33 103.07 107.75 2gkn h GLY 56 Ca 0.10 -0.00 -0.10 0.00 0.00 0.00 0.00 47.33 47.33 2gkn h GLY 56 CO -0.22 -0.07 -0.11 0.50 0.00 0.00 0.00 176.54 176.63 2gkn h LYS 57 N 0.19 0.80 -0.10 4.80 1.79 -1.19 -2.17 116.57 120.68 2gkn h LYS 57 Ca 0.22 -0.27 -0.20 0.00 -2.18 0.00 0.00 60.65 58.23 2gkn h LYS 57 Cb 0.29 -0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 30.88 2gkn h LYS 57 CO -0.31 0.88 -0.75 0.28 -1.08 0.00 0.00 179.45 178.47 2gkn h VAL 58 N 0.72 1.35 -0.22 0.50 2.07 -0.56 -0.22 116.25 119.88 2gkn h VAL 58 Ca 0.12 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 65.54 2gkn h VAL 58 Cb 0.60 2.07 -0.01 0.00 -1.52 0.00 0.00 31.29 32.44 2gkn h VAL 58 CO 0.04 0.64 0.12 0.58 0.02 0.00 0.00 177.57 178.97 2gkn h VAL 59 N 0.35 1.12 -0.87 2.57 2.07 -0.94 -0.38 116.25 120.17 2gkn h VAL 59 Ca -0.04 -0.31 0.06 0.00 0.82 0.00 0.00 66.70 67.22 2gkn h VAL 59 Cb 1.34 0.92 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 2gkn h VAL 59 CO 0.14 0.11 0.54 -0.08 0.02 0.00 0.00 177.57 178.30 2gkn h GLU 60 N 0.25 0.98 0.40 1.57 4.81 -1.29 0.14 114.58 121.44 2gkn h GLU 60 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.23 2gkn h GLU 60 Cb 0.07 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 29.24 2gkn h GLU 60 CO -0.01 0.65 -0.19 0.35 -0.73 0.00 0.00 179.01 179.07 2gkn h PHE 61 N 1.01 -0.50 -0.48 0.92 3.57 -0.81 -2.72 116.94 117.93 2gkn h PHE 61 Ca 0.37 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.94 2gkn h PHE 61 Cb 0.13 0.17 -0.06 0.00 2.79 0.00 0.00 35.95 38.97 2gkn h PHE 61 CO -0.03 -0.18 0.10 0.74 -2.23 0.00 0.00 178.31 176.72 2gkn h PHE 62 N -0.91 0.17 -0.68 0.41 0.05 -0.95 0.44 116.94 115.47 2gkn h PHE 62 Ca -0.06 0.03 0.10 0.00 3.82 0.00 0.00 57.97 61.86 2gkn h PHE 62 Cb 0.55 -0.00 -0.07 0.00 2.00 0.00 0.00 35.95 38.43 2gkn h PHE 62 CO 0.02 0.01 0.31 0.00 -0.18 0.00 0.00 178.31 178.47 2gkn h ALA 63 N 1.36 0.93 -0.07 2.45 0.00 -1.02 -0.13 119.26 122.79 2gkn h ALA 63 Ca 0.24 0.07 -0.19 0.00 0.00 0.00 0.00 54.91 55.02 2gkn h ALA 63 Cb 0.30 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2gkn h ALA 63 CO -0.30 -0.11 -0.77 0.00 0.00 0.00 0.00 179.25 178.08 2gkn h ALA 64 N 1.44 0.55 0.00 0.00 0.00 -1.03 0.36 119.26 120.57 2gkn h ALA 64 Ca 0.34 -0.63 -0.05 0.00 0.00 0.00 0.00 54.91 54.58 2gkn h ALA 64 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2gkn h ALA 64 CO -0.29 0.77 -0.23 0.00 0.00 0.00 0.00 179.25 179.50 2gkn h ALA 65 N 0.90 1.23 -0.52 0.00 0.00 -0.50 -2.81 119.26 117.56 2gkn h ALA 65 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2gkn h ALA 65 Cb 1.35 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2gkn h ALA 65 CO 0.13 0.29 0.00 1.28 0.00 0.00 0.00 179.25 180.95 2gkn n LEU 66 N -3.70 4.31 0.00 0.00 4.77 -0.10 -4.92 117.00 117.35 2gkn n LEU 66 Ca -0.01 -2.18 0.00 0.00 -0.03 0.00 0.00 56.01 53.79 2gkn n LEU 66 Cb 0.35 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 2gkn n LEU 66 CO 0.34 0.65 0.00 0.61 -1.33 0.00 0.00 177.39 177.66 2gkn n GLY 67 N 0.85 0.57 3.77 -0.72 0.00 -1.06 -1.27 105.19 107.33 2gkn n GLY 67 Ca 0.22 -0.82 -0.29 0.00 0.00 0.00 0.00 46.02 45.13 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 -2.83 1.58 0.48 -0.02 0.00 0.10 -4.84 107.32 101.79 2gkn s GLY 68 Ca 0.00 -0.58 0.27 0.00 0.00 0.00 0.00 44.72 44.42 2gkn s GLY 68 CO 0.00 0.02 1.77 -0.56 0.00 0.00 0.00 173.10 174.33 2gkn h PRO 69 N -1.63 0.00 -5.79 2.90 0.13 -1.88 -3.45 132.00 122.27 2gkn h PRO 69 Ca -0.50 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 63.96 2gkn h PRO 69 Cb 1.32 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.27 2gkn h PRO 69 CO 0.58 0.00 -0.66 -1.21 -0.23 0.00 0.00 178.00 176.49 2gkn s GLU 70 N -3.40 3.16 0.58 0.86 0.41 -1.26 -5.10 118.70 113.95 2gkn s GLU 70 Ca 0.05 -0.48 -0.20 0.00 -0.41 0.00 0.00 54.97 53.93 2gkn s GLU 70 Cb 0.07 -2.78 -0.04 0.00 -1.78 0.00 0.00 34.13 29.60 2gkn s GLU 70 CO 0.61 0.54 1.26 -2.14 -0.49 0.00 0.00 175.26 175.04 2gkn s PRO 71 N -0.44 2.97 -0.07 0.39 0.02 -1.26 -4.43 135.00 132.18 2gkn s PRO 71 Ca 0.07 1.98 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 2gkn s PRO 71 Cb -0.12 -2.02 -0.03 0.00 0.02 0.00 0.00 34.50 32.35 2gkn s PRO 71 CO 0.02 -1.25 1.17 -0.47 -0.33 0.00 0.00 177.00 176.14 2gkn s TYR 72 N -1.47 3.24 -1.71 6.54 5.04 -1.26 -4.94 117.35 122.78 2gkn s TYR 72 Ca 0.76 1.27 0.14 0.00 -2.44 0.00 0.00 57.07 56.81 2gkn s TYR 72 Cb -0.34 -3.38 0.16 0.00 0.35 0.00 0.00 41.96 38.74 2gkn s TYR 72 CO 0.38 -1.14 1.02 0.25 -1.34 0.00 0.00 175.55 174.72 2gkn n THR 73 N 4.63 0.16 -0.40 4.34 -2.24 -1.26 -5.00 114.28 114.51 2gkn n THR 73 Ca 0.11 -0.58 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 2gkn n THR 73 Cb 0.47 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 69.87 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 0.82 -0.13 3.85 3.38 0.00 -1.26 -5.08 105.19 106.76 2gkn n GLY 74 Ca 0.10 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.08 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 -3.60 3.36 0.74 4.61 0.00 -1.26 -5.07 121.76 120.55 2gkn s ALA 75 Ca 0.00 0.02 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 2gkn s ALA 75 Cb 0.00 -2.73 0.05 0.00 0.00 0.00 0.00 23.12 20.43 2gkn s ALA 75 CO 0.00 0.35 1.20 -2.14 0.00 0.00 0.00 175.76 175.17 2gkn s PRO 76 N -2.83 2.09 0.28 0.00 0.02 -1.26 -4.80 135.00 128.49 2gkn s PRO 76 Ca 0.52 1.71 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 2gkn s PRO 76 Cb -0.11 -1.83 0.39 0.00 0.02 0.00 0.00 34.50 32.96 2gkn s PRO 76 CO 0.18 -1.86 1.82 0.52 -0.33 0.00 0.00 177.00 177.32 2gkn h MET 77 N -0.42 0.83 0.08 5.54 2.86 -1.97 -2.27 114.93 119.59 2gkn h MET 77 Ca -0.47 -0.17 -0.00 0.00 -2.06 0.00 0.00 59.70 56.99 2gkn h MET 77 Cb 1.29 -0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.83 2gkn h MET 77 CO 0.49 0.76 -0.04 -0.22 1.06 0.00 0.00 176.91 178.96 2gkn h LYS 78 N 0.80 -0.10 -0.07 1.72 3.64 -1.92 -2.86 116.57 117.78 2gkn h LYS 78 Ca 0.18 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2gkn h LYS 78 Cb 0.31 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 2gkn h LYS 78 CO 0.00 0.22 -0.04 0.37 -2.27 0.00 0.00 179.45 177.73 2gkn h GLN 79 N -0.43 -0.04 -0.78 1.90 4.15 -1.85 -0.81 115.11 117.26 2gkn h GLN 79 Ca -0.01 0.00 -0.03 0.00 0.77 0.00 0.00 58.65 59.39 2gkn h GLN 79 Cb 0.37 0.01 -0.04 0.00 0.21 0.00 0.00 27.48 28.03 2gkn h GLN 79 CO 0.02 -0.02 0.38 -0.24 -1.93 0.00 0.00 178.83 177.03 2gkn h VAL 80 N -0.04 1.24 -0.02 2.39 3.04 -1.50 -2.91 116.25 118.45 2gkn h VAL 80 Ca 0.04 -0.67 0.00 0.00 -1.01 0.00 0.00 66.70 65.07 2gkn h VAL 80 Cb 0.10 0.24 0.00 0.00 -2.01 0.00 0.00 31.29 29.62 2gkn h VAL 80 CO -0.10 0.29 0.00 1.41 -1.01 0.00 0.00 177.57 178.16 2gkn n HIS 81 N -4.32 0.00 -2.16 3.17 8.25 -1.08 -4.94 115.22 114.14 2gkn n HIS 81 Ca 0.08 -0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.11 2gkn n HIS 81 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 2gkn n HIS 81 CO 0.00 0.00 0.00 -1.14 0.64 0.00 0.00 176.34 175.84 2gkn s GLN 82 N -2.00 4.30 0.00 -0.41 0.74 -0.32 -3.15 119.66 118.82 2gkn s GLN 82 Ca 0.35 2.08 0.00 0.00 0.05 0.00 0.00 55.36 57.84 2gkn s GLN 82 Cb 0.21 -3.32 0.00 0.00 1.10 0.00 0.00 33.01 31.00 2gkn s GLN 82 CO 0.33 -0.48 0.00 0.41 -0.55 0.00 0.00 175.29 174.99 2gkn n GLY 83 N 3.56 0.38 0.15 2.59 0.00 -1.26 -4.94 105.19 105.66 2gkn n GLY 83 Ca 0.12 -0.99 0.05 0.00 0.00 0.00 0.00 46.02 45.21 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 -1.98 2.65 -2.28 1.61 1.74 -1.19 -5.01 116.66 112.20 2gkn n ARG 84 Ca 0.00 -0.38 -0.14 0.00 -0.77 0.00 0.00 57.85 56.56 2gkn n ARG 84 Cb 0.25 -1.06 -0.01 0.00 -1.02 0.00 0.00 32.46 30.62 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 1.06 -0.20 3.70 -0.13 0.00 -1.26 -4.98 105.19 103.37 2gkn n GLY 85 Ca 0.03 -0.30 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.70 4.32 0.48 -0.61 1.01 -1.26 -5.04 121.20 117.39 2gkn s ILE 86 Ca 0.01 1.65 0.08 0.00 0.00 0.00 0.00 60.65 62.39 2gkn s ILE 86 Cb -0.00 -4.06 0.02 0.00 0.01 0.00 0.00 42.46 38.43 2gkn s ILE 86 CO 0.01 0.06 0.50 0.42 0.00 0.00 0.00 174.94 175.93 2gkn s THR 87 N 1.64 2.41 0.39 2.92 -4.23 -1.26 -4.46 115.64 113.05 2gkn s THR 87 Ca 0.56 -1.24 0.16 0.00 -1.18 0.00 0.00 61.69 59.98 2gkn s THR 87 Cb -0.25 -2.65 0.16 0.00 1.34 0.00 0.00 72.50 71.09 2gkn s THR 87 CO 0.25 0.00 1.92 0.24 -0.54 0.00 0.00 174.62 176.48 2gkn h MET 88 N 0.73 0.00 -0.73 3.99 2.86 -1.96 -1.41 114.93 118.41 2gkn h MET 88 Ca -0.38 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.24 2gkn h MET 88 Cb 1.28 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.91 2gkn h MET 88 CO 0.52 0.27 0.37 1.25 1.06 0.00 0.00 176.91 180.38 2gkn h HIS 89 N 0.00 1.03 -0.02 -0.22 -0.00 -1.99 -1.87 115.15 112.07 2gkn h HIS 89 Ca -0.00 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.32 2gkn h HIS 89 Cb 0.51 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.59 2gkn h HIS 89 CO 0.00 0.74 -0.02 0.45 -0.00 0.00 0.00 177.93 179.10 2gkn h HIS 90 N 1.01 0.06 -0.56 5.26 -0.00 -1.75 -2.48 115.15 116.69 2gkn h HIS 90 Ca 0.25 -0.02 0.10 0.00 -0.00 0.00 0.00 60.37 60.71 2gkn h HIS 90 Cb 0.08 -0.01 -0.08 0.00 -0.00 0.00 0.00 27.41 27.40 2gkn h HIS 90 CO 0.00 0.51 0.12 0.35 -0.00 0.00 0.00 177.93 178.91 2gkn h PHE 91 N -0.41 0.19 -0.66 2.45 3.57 -1.30 -1.89 116.94 118.89 2gkn h PHE 91 Ca 0.00 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 2gkn h PHE 91 Cb 0.50 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.21 2gkn h PHE 91 CO 0.09 -0.02 0.25 0.77 -2.23 0.00 0.00 178.31 177.17 2gkn h SER 92 N 0.25 0.90 -0.75 0.41 0.02 -1.35 -0.06 113.55 112.97 2gkn h SER 92 Ca 0.29 -0.13 -0.05 0.00 -0.84 0.00 0.00 61.79 61.06 2gkn h SER 92 Cb 0.42 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.69 2gkn h SER 92 CO -0.37 0.81 0.28 -0.07 -1.14 0.00 0.00 176.83 176.34 2gkn h LEU 93 N 0.95 1.06 0.01 5.07 4.07 -0.99 -1.06 115.31 124.42 2gkn h LEU 93 Ca 0.22 -0.17 -0.00 0.00 0.08 0.00 0.00 57.88 58.01 2gkn h LEU 93 Cb 0.21 -0.28 0.00 0.00 1.08 0.00 0.00 40.66 41.67 2gkn h LEU 93 CO -0.02 0.96 -0.00 0.58 -1.08 0.00 0.00 178.44 178.88 2gkn h VAL 94 N 1.11 1.28 -0.89 1.22 2.07 -0.81 -1.04 116.25 119.19 2gkn h VAL 94 Ca 0.25 -0.86 0.05 0.00 0.82 0.00 0.00 66.70 66.96 2gkn h VAL 94 Cb 0.24 1.86 -0.05 0.00 -1.52 0.00 0.00 31.29 31.82 2gkn h VAL 94 CO -0.02 0.22 0.58 0.00 0.02 0.00 0.00 177.57 178.38 2gkn h ALA 95 N 0.61 1.48 -0.48 1.67 0.00 -1.03 -0.57 119.26 120.95 2gkn h ALA 95 Ca -0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 2gkn h ALA 95 Cb 0.37 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2gkn h ALA 95 CO 0.00 0.41 0.23 0.78 0.00 0.00 0.00 179.25 180.66 2gkn h GLY 96 N 1.06 0.74 1.24 0.00 0.00 -1.11 -0.29 103.07 104.71 2gkn h GLY 96 Ca 0.37 -0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 2gkn h GLY 96 CO -0.13 0.35 0.27 0.45 0.00 0.00 0.00 176.54 177.49 2gkn h HIS 97 N 0.63 0.99 -0.45 5.60 3.86 -0.55 -1.53 115.15 123.69 2gkn h HIS 97 Ca 0.16 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.27 2gkn h HIS 97 Cb 0.13 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.28 2gkn h HIS 97 CO -0.01 0.75 0.11 1.25 0.86 0.00 0.00 177.93 180.89 2gkn h LEU 98 N 0.96 0.69 -0.69 2.43 5.85 -0.93 -2.14 115.31 121.48 2gkn h LEU 98 Ca 0.23 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.74 2gkn h LEU 98 Cb 0.18 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2gkn h LEU 98 CO -0.02 0.75 0.43 0.00 -0.34 0.00 0.00 178.44 179.25 2gkn h ALA 99 N 0.97 0.90 -0.09 1.25 0.00 -0.77 -1.36 119.26 120.16 2gkn h ALA 99 Ca 0.14 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 2gkn h ALA 99 Cb 0.33 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2gkn h ALA 99 CO 0.00 0.19 -0.36 -0.44 0.00 0.00 0.00 179.25 178.64 2gkn h ASP 100 N 0.83 0.20 0.12 0.00 3.32 -1.13 -0.75 116.42 119.01 2gkn h ASP 100 Ca 0.28 -0.07 -0.22 0.00 0.02 0.00 0.00 57.03 57.03 2gkn h ASP 100 Cb 0.03 -0.05 0.01 0.00 0.22 0.00 0.00 39.33 39.53 2gkn h ASP 100 CO -0.11 0.55 -0.87 0.00 -1.72 0.00 0.00 179.24 177.09 2gkn h ALA 101 N 1.46 0.35 -0.74 3.45 0.00 -1.05 -1.82 119.26 120.91 2gkn h ALA 101 Ca 0.02 -0.65 -0.05 0.00 0.00 0.00 0.00 54.91 54.22 2gkn h ALA 101 Cb 0.72 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 2gkn h ALA 101 CO 0.05 0.74 0.25 -0.07 0.00 0.00 0.00 179.25 180.23 2gkn h LEU 102 N 0.36 1.06 0.26 0.00 3.38 -1.10 -1.91 115.31 117.36 2gkn h LEU 102 Ca -0.07 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2gkn h LEU 102 Cb 1.50 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.97 2gkn h LEU 102 CO 0.16 0.97 -0.13 0.74 0.09 0.00 0.00 178.44 180.28 2gkn h THR 103 N 1.10 0.76 -0.72 0.22 2.02 -1.05 -1.91 112.91 113.32 2gkn h THR 103 Ca 0.24 -0.10 0.11 0.00 0.77 0.00 0.00 66.41 67.44 2gkn h THR 103 Cb 0.28 0.81 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2gkn h THR 103 CO -0.01 0.02 0.48 0.00 0.37 0.00 0.00 175.52 176.38 2gkn h ALA 104 N 0.33 1.93 0.00 6.16 0.00 -1.27 -1.31 119.26 125.11 2gkn h ALA 104 Ca -0.04 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2gkn h ALA 104 Cb 0.31 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gkn h ALA 104 CO 0.06 -0.10 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2gkn n ALA 105 N -2.49 2.07 -0.57 0.00 0.00 -0.72 -4.90 120.51 113.91 2gkn n ALA 105 Ca 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2gkn n ALA 105 Cb 0.39 -1.37 0.00 0.00 0.00 0.00 0.00 19.45 18.47 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 0.81 0.71 3.70 0.00 0.00 -0.49 -5.05 105.19 104.88 2gkn n GLY 106 Ca 0.07 -0.04 -0.42 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.00 3.27 0.47 1.61 1.01 -0.74 -4.96 120.40 119.07 2gkn s VAL 107 Ca 0.00 0.84 -0.24 0.00 0.00 0.00 0.00 61.98 62.57 2gkn s VAL 107 Cb 0.00 -3.54 -0.08 0.00 0.00 0.00 0.00 36.38 32.77 2gkn s VAL 107 CO 0.00 0.04 1.38 -2.65 0.00 0.00 0.00 175.10 173.87 2gkn n PRO 108 N 4.59 2.06 -0.32 2.72 -0.02 -1.26 -4.53 135.00 138.24 2gkn n PRO 108 Ca 0.13 0.74 0.22 0.00 -2.02 0.00 0.00 63.50 62.56 2gkn n PRO 108 Cb 0.42 -2.57 0.43 0.00 -0.02 0.00 0.00 33.50 31.75 2gkn n PRO 108 CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2gkn h SER 109 N 2.04 0.15 0.12 2.55 0.02 -1.97 -1.05 113.55 115.41 2gkn h SER 109 Ca -0.50 0.23 -0.12 0.00 -0.84 0.00 0.00 61.79 60.55 2gkn h SER 109 Cb 1.28 0.27 -0.01 0.00 0.14 0.00 0.00 62.40 64.08 2gkn h SER 109 CO 0.60 -0.27 -0.43 -0.33 -1.14 0.00 0.00 176.83 175.26 2gkn h GLU 110 N 0.15 0.39 0.02 3.45 3.07 -1.99 -1.76 114.58 117.90 2gkn h GLU 110 Ca 0.70 -0.20 -0.21 0.00 -0.50 0.00 0.00 59.36 59.15 2gkn h GLU 110 Cb 1.61 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.50 2gkn h GLU 110 CO -0.72 0.75 -0.96 1.15 -1.40 0.00 0.00 179.01 177.82 2gkn h THR 111 N 0.32 1.63 -0.45 1.13 2.02 -1.58 -2.15 112.91 113.82 2gkn h THR 111 Ca 0.03 -3.10 -0.09 0.00 0.77 0.00 0.00 66.41 64.01 2gkn h THR 111 Cb 0.89 2.72 -0.02 0.00 -1.74 0.00 0.00 68.15 70.00 2gkn h THR 111 CO 0.07 0.89 -0.06 0.40 0.37 0.00 0.00 175.52 177.20 2gkn h ILE 112 N 0.02 1.27 -0.75 3.11 2.04 -1.24 0.11 117.51 122.08 2gkn h ILE 112 Ca -0.03 -1.14 0.04 0.00 1.00 0.00 0.00 64.86 64.73 2gkn h ILE 112 Cb 1.67 1.09 -0.05 0.00 -0.74 0.00 0.00 36.82 38.80 2gkn h ILE 112 CO 0.13 0.39 0.47 0.74 0.00 0.00 0.00 178.15 179.88 2gkn h THR 113 N 0.67 1.08 -0.60 -0.27 2.02 -1.34 0.17 112.91 114.65 2gkn h THR 113 Ca 0.12 -0.31 -0.08 0.00 0.77 0.00 0.00 66.41 66.91 2gkn h THR 113 Cb 0.58 0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 2gkn h THR 113 CO 0.03 0.16 0.05 -0.08 0.37 0.00 0.00 175.52 176.06 2gkn h GLU 114 N 0.89 1.00 -0.39 6.66 4.81 -1.13 -2.02 114.58 124.41 2gkn h GLU 114 Ca 0.31 -0.28 -0.07 0.00 -0.13 0.00 0.00 59.36 59.18 2gkn h GLU 114 Cb 0.06 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 2gkn h GLU 114 CO -0.13 0.95 -0.04 0.82 -0.73 0.00 0.00 179.01 179.88 2gkn h ILE 115 N 0.93 1.27 0.00 2.32 2.04 -0.22 -2.87 117.51 120.98 2gkn h ILE 115 Ca 0.18 -1.09 -0.02 0.00 1.00 0.00 0.00 64.86 64.93 2gkn h ILE 115 Cb 0.47 1.19 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2gkn h ILE 115 CO 0.02 0.37 -0.08 -0.07 0.00 0.00 0.00 178.15 178.39 2gkn h LEU 116 N 0.54 0.00 -0.56 1.44 3.38 -0.56 -0.37 115.31 119.18 2gkn h LEU 116 Ca 0.11 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.99 2gkn h LEU 116 Cb 0.54 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2gkn h LEU 116 CO 0.03 0.08 -0.43 1.23 0.09 0.00 0.00 178.44 179.44 2gkn h GLY 117 N 0.65 0.00 1.28 0.83 0.00 -1.16 0.32 103.07 105.00 2gkn h GLY 117 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 47.33 47.01 2gkn h GLY 117 CO 0.01 0.00 -1.38 -2.08 0.00 0.00 0.00 176.54 173.08 2gkn h VAL 118 N 0.00 1.30 0.12 4.60 2.07 -1.10 -3.40 116.25 119.84 2gkn h VAL 118 Ca -0.00 -2.64 -0.01 0.00 0.82 0.00 0.00 66.70 64.87 2gkn h VAL 118 Cb 1.10 2.91 0.00 0.00 -1.52 0.00 0.00 31.29 33.78 2gkn h VAL 118 CO 0.06 0.79 -0.06 0.40 0.02 0.00 0.00 177.57 178.78 2gkn h ILE 119 N 0.19 0.93 -0.92 4.57 1.08 -1.10 -3.38 117.51 118.88 2gkn h ILE 119 Ca -0.23 -1.26 0.18 0.00 -0.39 0.00 0.00 64.86 63.16 2gkn h ILE 119 Cb 2.07 1.59 -0.17 0.00 -3.07 0.00 0.00 36.82 37.24 2gkn h ILE 119 CO 0.26 0.25 -0.23 0.00 -0.69 0.00 0.00 178.15 177.74 2gkn h ALA 120 N -0.27 0.59 0.00 1.87 0.00 -1.13 0.25 119.26 120.57 2gkn h ALA 120 Ca -0.02 0.36 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2gkn h ALA 120 Cb 0.54 0.71 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2gkn h ALA 120 CO 0.03 -0.40 0.16 -1.35 0.00 0.00 0.00 179.25 177.69 2gkn h PRO 121 N -0.00 0.00 0.00 0.00 0.11 -1.77 -2.16 132.00 128.18 2gkn h PRO 121 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 2gkn h PRO 121 Cb 0.67 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.78 2gkn h PRO 121 CO -0.95 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 178.12 2gkn n LEU 122 N -2.78 0.00 0.26 2.35 4.77 0.87 -3.06 117.00 119.40 2gkn n LEU 122 Ca -0.02 0.36 0.12 0.00 -0.03 0.00 0.00 56.01 56.44 2gkn n LEU 122 Cb 0.21 -0.36 0.68 0.00 -2.33 0.00 0.00 43.42 41.62 2gkn n LEU 122 CO 0.15 -0.12 0.95 0.00 -1.33 0.00 0.00 177.39 177.03 2gkn h ALA 123 N 2.87 1.21 -0.87 -1.18 0.00 -1.54 -2.04 119.26 117.71 2gkn h ALA 123 Ca 0.00 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.79 2gkn h ALA 123 Cb 0.24 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2gkn h ALA 123 CO 0.00 0.17 0.57 -0.39 0.00 0.00 0.00 179.25 179.60 2gkn h VAL 124 N 0.00 1.23 0.03 0.00 -1.51 -1.79 -1.85 116.25 112.35 2gkn h VAL 124 Ca -0.00 -0.43 -0.07 0.00 -1.23 0.00 0.00 66.70 64.98 2gkn h VAL 124 Cb 0.41 -0.04 0.01 0.00 -2.13 0.00 0.00 31.29 29.54 2gkn h VAL 124 CO 0.02 0.22 -0.28 0.44 -1.23 0.00 0.00 177.57 176.74 2gkn h ASP 125 N 1.18 0.19 -0.23 4.19 3.32 -1.70 -3.38 116.42 119.99 2gkn h ASP 125 Ca 0.32 -0.91 -0.03 0.00 0.02 0.00 0.00 57.03 56.43 2gkn h ASP 125 Cb -0.12 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 2gkn h ASP 125 CO -0.07 1.08 0.05 0.58 -1.72 0.00 0.00 179.24 179.16 2gkn h VAL 126 N -0.67 1.22 -0.02 -1.35 2.07 -1.39 -3.36 116.25 112.74 2gkn h VAL 126 Ca -0.05 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.75 2gkn h VAL 126 Cb 1.15 1.25 0.00 0.00 -1.52 0.00 0.00 31.29 32.17 2gkn h VAL 126 CO 0.05 0.23 0.00 0.35 0.02 0.00 0.00 177.57 178.22