#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gwp s ILE 2 N 0.00 3.75 0.18 0.52 1.01 -1.24 -0.99 121.20 124.42 1gwp s ILE 2 Ca 0.00 -1.63 -0.10 0.00 0.00 0.00 0.00 60.65 58.92 1gwp s ILE 2 Cb 0.00 -3.11 -0.01 0.00 0.01 0.00 0.00 42.46 39.36 1gwp s ILE 2 CO 0.00 -0.31 0.32 0.68 0.00 0.00 0.00 174.94 175.63 1gwp s VAL 3 N -2.27 0.05 -0.22 2.92 -7.23 0.30 -4.91 120.40 109.05 1gwp s VAL 3 Ca 0.34 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.18 1gwp s VAL 3 Cb -0.06 -1.87 0.05 0.00 0.56 0.00 0.00 36.38 35.06 1gwp s VAL 3 CO 0.23 -0.24 -0.08 0.00 -0.31 0.00 0.00 175.10 174.70 1gwp s GLN 4 N -3.97 1.85 1.00 4.82 0.00 -1.26 -1.50 119.66 120.60 1gwp s GLN 4 Ca 0.18 -0.97 -0.18 0.00 -0.00 0.00 0.00 55.36 54.38 1gwp s GLN 4 Cb 0.03 -2.55 -0.13 0.00 0.00 0.00 0.00 33.01 30.35 1gwp s GLN 4 CO 0.01 -0.53 -0.76 0.09 0.00 0.00 0.00 175.29 174.10 1gwp n ASN 5 N 4.65 -5.24 0.20 12.60 3.02 0.15 -4.85 115.26 125.79 1gwp n ASN 5 Ca -0.13 0.17 -0.12 0.00 -0.03 0.00 0.00 54.58 54.46 1gwp n ASN 5 Cb 0.45 -0.78 -0.07 0.00 -0.61 0.00 0.00 39.78 38.77 1gwp n ASN 5 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1gwp h LEU 6 N -1.08 -0.46 -0.19 3.41 -0.00 -2.00 -3.32 115.31 111.68 1gwp h LEU 6 Ca -0.44 -0.12 0.03 0.00 -0.00 0.00 0.00 57.88 57.36 1gwp h LEU 6 Cb 1.31 0.12 -0.05 0.00 -0.00 0.00 0.00 40.66 42.04 1gwp h LEU 6 CO 0.24 -0.05 -0.40 1.56 -0.00 0.00 0.00 178.44 179.79 1gwp h GLN 7 N -0.96 -0.35 0.00 1.13 7.50 -2.07 -3.45 115.11 116.91 1gwp h GLN 7 Ca -0.06 0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.12 1gwp h GLN 7 Cb 0.55 0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.16 1gwp h GLN 7 CO 0.09 -0.24 0.00 0.41 -1.50 0.00 0.00 178.83 177.60 1gwp n GLY 8 N -1.30 -1.32 3.03 3.46 0.00 -1.25 -5.16 105.19 102.65 1gwp n GLY 8 Ca -0.04 0.44 -0.13 0.00 0.00 0.00 0.00 46.02 46.29 1gwp n GLY 8 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 9 N 0.00 0.17 0.02 1.61 -1.52 -1.26 -4.97 119.66 113.71 1gwp s GLN 9 Ca 0.00 0.69 -0.30 0.00 -1.95 0.00 0.00 55.36 53.80 1gwp s GLN 9 Cb 0.00 -0.06 -0.03 0.00 -0.22 0.00 0.00 33.01 32.70 1gwp s GLN 9 CO 0.00 -0.25 1.00 -1.64 -0.25 0.00 0.00 175.29 174.16 1gwp s MET 10 N 2.06 4.56 0.04 2.91 -1.94 -1.26 0.32 119.30 125.98 1gwp s MET 10 Ca -0.02 1.46 -0.14 0.00 -1.71 0.00 0.00 55.69 55.28 1gwp s MET 10 Cb -0.11 -3.44 0.02 0.00 2.01 0.00 0.00 34.83 33.30 1gwp s MET 10 CO -0.09 -0.05 0.31 0.14 -0.01 0.00 0.00 175.02 175.32 1gwp s VAL 11 N 0.94 0.08 0.40 -6.03 -7.23 -0.56 -4.94 120.40 103.06 1gwp s VAL 11 Ca 0.52 -0.65 0.08 0.00 -1.81 0.00 0.00 61.98 60.12 1gwp s VAL 11 Cb -0.22 -0.90 -0.01 0.00 0.56 0.00 0.00 36.38 35.81 1gwp s VAL 11 CO 0.28 -0.36 0.43 -1.38 -0.31 0.00 0.00 175.10 173.76 1gwp s HIS 12 N -2.41 2.79 -0.11 2.82 -3.43 -1.26 -0.54 115.29 113.15 1gwp s HIS 12 Ca -0.06 -0.43 0.01 0.00 -0.80 0.00 0.00 55.06 53.78 1gwp s HIS 12 Cb -0.01 -2.17 0.02 0.00 -1.43 0.00 0.00 32.58 28.98 1gwp s HIS 12 CO -0.02 -0.16 -0.12 -1.14 -2.00 0.00 0.00 174.74 171.30 1gwp s GLN 13 N -4.18 1.87 1.02 -0.38 0.74 -0.16 -4.85 119.66 113.71 1gwp s GLN 13 Ca 0.49 -0.41 -0.21 0.00 0.05 0.00 0.00 55.36 55.27 1gwp s GLN 13 Cb -0.06 -1.72 -0.10 0.00 1.10 0.00 0.00 33.01 32.23 1gwp s GLN 13 CO 0.29 -0.16 -0.83 0.00 -0.55 0.00 0.00 175.29 174.05 1gwp n ALA 14 N 4.52 -5.06 -0.80 1.58 0.00 -1.26 -3.95 120.51 115.54 1gwp n ALA 14 Ca -0.17 -1.07 -0.04 0.00 0.00 0.00 0.00 53.44 52.16 1gwp n ALA 14 Cb 0.51 -1.15 0.07 0.00 0.00 0.00 0.00 19.45 18.88 1gwp n ALA 14 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1gwp n ILE 15 N -3.37 0.00 -4.27 0.00 3.06 -1.26 -4.75 119.36 108.77 1gwp n ILE 15 Ca -0.01 0.00 -0.20 0.00 -2.50 0.00 0.00 62.75 60.05 1gwp n ILE 15 Cb 0.65 -0.24 -0.13 0.00 0.54 0.00 0.00 39.64 40.46 1gwp n ILE 15 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1gwp s SER 16 N -2.10 1.77 0.07 9.51 0.15 -1.26 -5.05 113.70 116.79 1gwp s SER 16 Ca 0.16 -0.55 -0.15 0.00 0.70 0.00 0.00 55.95 56.11 1gwp s SER 16 Cb -0.03 -0.09 -0.21 0.00 -1.71 0.00 0.00 66.02 63.99 1gwp s SER 16 CO 0.14 -0.01 1.21 1.55 1.20 0.00 0.00 173.24 177.33 1gwp h PRO 17 N 4.57 0.68 -0.10 5.44 0.13 -1.98 -1.54 132.00 139.19 1gwp h PRO 17 Ca -0.40 -0.66 -0.07 0.00 -0.87 0.00 0.00 66.00 63.99 1gwp h PRO 17 Cb 1.18 0.17 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1gwp h PRO 17 CO 0.42 1.26 -0.27 0.00 -0.23 0.00 0.00 178.00 179.18 1gwp h ARG 18 N 0.35 0.18 -0.02 0.86 3.08 -1.98 0.29 114.38 117.14 1gwp h ARG 18 Ca -0.09 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 59.82 1gwp h ARG 18 Cb 1.52 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.56 1gwp h ARG 18 CO 0.17 0.44 -0.27 1.15 -1.07 0.00 0.00 179.97 180.40 1gwp h THR 19 N 0.17 1.50 -0.67 2.04 2.02 -1.97 -1.40 112.91 114.59 1gwp h THR 19 Ca 0.03 -1.84 -0.07 0.00 0.77 0.00 0.00 66.41 65.30 1gwp h THR 19 Cb 0.57 2.59 -0.03 0.00 -1.74 0.00 0.00 68.15 69.54 1gwp h THR 19 CO 0.04 0.51 0.14 -0.07 0.37 0.00 0.00 175.52 176.51 1gwp h LEU 20 N -0.38 1.04 0.90 2.58 3.38 -1.12 0.26 115.31 121.95 1gwp h LEU 20 Ca -0.03 -0.25 -0.04 0.00 0.09 0.00 0.00 57.88 57.65 1gwp h LEU 20 Cb 0.98 -0.27 0.01 0.00 0.09 0.00 0.00 40.66 41.46 1gwp h LEU 20 CO 0.05 1.02 -0.43 -1.13 0.09 0.00 0.00 178.44 178.04 1gwp h ASN 21 N 1.01 -1.02 -0.68 -0.43 -0.73 -0.47 0.31 115.58 113.57 1gwp h ASN 21 Ca 0.21 0.04 0.11 0.00 1.87 0.00 0.00 56.30 58.52 1gwp h ASN 21 Cb 0.40 0.26 -0.08 0.00 0.27 0.00 0.00 38.32 39.18 1gwp h ASN 21 CO 0.01 -0.70 0.29 0.00 -0.37 0.00 0.00 177.43 176.65 1gwp h ALA 22 N -1.40 0.93 0.35 1.57 0.00 -1.21 0.29 119.26 119.80 1gwp h ALA 22 Ca -0.12 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1gwp h ALA 22 Cb 0.92 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 1gwp h ALA 22 CO 0.20 -0.16 -0.41 2.35 0.00 0.00 0.00 179.25 181.23 1gwp h TRP 23 N 0.47 -1.16 -1.00 0.00 2.91 -0.29 0.67 115.95 117.55 1gwp h TRP 23 Ca 0.35 0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.71 1gwp h TRP 23 Cb 0.46 0.46 -0.15 0.00 -0.51 0.00 0.00 29.16 29.42 1gwp h TRP 23 CO -0.15 -0.53 0.57 0.28 -1.03 0.00 0.00 178.44 177.58 1gwp h VAL 24 N -0.78 0.31 -0.51 2.65 2.07 0.40 1.72 116.25 122.11 1gwp h VAL 24 Ca -0.04 -0.11 -0.12 0.00 0.82 0.00 0.00 66.70 67.25 1gwp h VAL 24 Cb 0.69 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1gwp h VAL 24 CO -0.08 0.06 -0.14 0.50 0.02 0.00 0.00 177.57 177.92 1gwp h LYS 25 N 0.33 0.98 -0.18 1.57 1.63 0.66 0.41 116.57 121.97 1gwp h LYS 25 Ca 0.73 -0.37 -0.00 0.00 -0.85 0.00 0.00 60.65 60.16 1gwp h LYS 25 Cb 1.67 -0.06 -0.01 0.00 -0.60 0.00 0.00 32.23 33.23 1gwp h LYS 25 CO -0.60 1.05 0.10 0.28 -3.45 0.00 0.00 179.45 176.82 1gwp h VAL 26 N 0.86 1.11 -0.57 2.00 2.07 0.83 0.21 116.25 122.76 1gwp h VAL 26 Ca 0.13 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.24 1gwp h VAL 26 Cb 0.70 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.44 1gwp h VAL 26 CO 0.05 0.11 -0.03 0.58 0.02 0.00 0.00 177.57 178.30 1gwp h VAL 27 N 0.18 1.27 0.00 2.57 2.07 -0.36 0.35 116.25 122.33 1gwp h VAL 27 Ca 0.06 -1.18 -0.02 0.00 0.82 0.00 0.00 66.70 66.38 1gwp h VAL 27 Cb 0.08 0.88 -0.00 0.00 -1.52 0.00 0.00 31.29 30.73 1gwp h VAL 27 CO -0.01 0.42 -0.12 -0.08 0.02 0.00 0.00 177.57 177.81 1gwp h GLU 28 N 0.92 0.00 0.13 1.57 4.81 0.21 1.62 114.58 123.84 1gwp h GLU 28 Ca 0.16 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 59.12 1gwp h GLU 28 Cb 0.59 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.98 1gwp h GLU 28 CO 0.04 0.12 -1.34 1.49 -0.73 0.00 0.00 179.01 178.59 1gwp h GLU 29 N 0.00 0.28 0.00 1.92 4.81 0.01 -3.44 114.58 118.16 1gwp h GLU 29 Ca -0.00 -0.47 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1gwp h GLU 29 Cb 0.23 0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 1gwp h GLU 29 CO 0.02 1.23 0.00 1.63 -0.73 0.00 0.00 179.01 181.15 1gwp n LYS 30 N -3.93 0.00 -1.07 1.92 4.76 0.12 -5.09 118.16 114.87 1gwp n LYS 30 Ca -0.23 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 1gwp n LYS 30 Cb 0.91 -0.38 0.00 0.00 -1.84 0.00 0.00 35.03 33.72 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1gwp n ALA 31 N -2.45 -2.14 -2.95 7.82 0.00 0.55 -4.81 120.51 116.54 1gwp n ALA 31 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.33 1gwp n ALA 31 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 1gwp n ALA 31 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1gwp n PHE 32 N -0.34 -3.31 -4.51 0.00 3.01 -1.26 -5.05 117.46 106.00 1gwp n PHE 32 Ca 0.00 1.37 -0.25 0.00 1.01 0.00 0.00 57.45 59.58 1gwp n PHE 32 Cb 0.00 -3.58 -0.09 0.00 -0.01 0.00 0.00 39.48 35.80 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1gwp s SER 33 N -2.19 2.75 0.00 4.37 0.01 -1.26 -4.92 113.70 112.46 1gwp s SER 33 Ca 0.22 -1.56 0.24 0.00 1.31 0.00 0.00 55.95 56.16 1gwp s SER 33 Cb -0.05 0.28 1.39 0.00 0.21 0.00 0.00 66.02 67.86 1gwp s SER 33 CO 0.76 -0.80 1.79 -0.81 0.41 0.00 0.00 173.24 174.59 1gwp n PRO 34 N -0.86 0.69 -0.10 12.44 -0.04 -1.26 -2.03 135.00 143.84 1gwp n PRO 34 Ca -0.06 0.01 0.03 0.00 -0.04 0.00 0.00 63.50 63.45 1gwp n PRO 34 Cb 0.66 -1.50 0.09 0.00 -0.04 0.00 0.00 33.50 32.71 1gwp n PRO 34 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1gwp n GLU 35 N -1.04 2.91 -0.03 0.54 4.71 -1.26 -4.47 120.64 122.00 1gwp n GLU 35 Ca 0.17 -1.83 -0.00 0.00 -0.01 0.00 0.00 57.16 55.48 1gwp n GLU 35 Cb 0.10 -1.17 -0.09 0.00 -1.01 0.00 0.00 31.44 29.27 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 1gwp n VAL 36 N 0.02 0.43 -0.26 2.62 0.31 -0.86 -4.00 118.33 116.58 1gwp n VAL 36 Ca 0.07 -0.39 -0.05 0.00 -0.01 0.00 0.00 64.34 63.96 1gwp n VAL 36 Cb 0.36 -0.29 0.06 0.00 -0.91 0.00 0.00 33.84 33.06 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 1gwp h ILE 37 N 0.00 1.22 -0.05 2.52 2.04 -1.77 0.43 117.51 121.89 1gwp h ILE 37 Ca -0.17 -0.52 -0.23 0.00 1.00 0.00 0.00 64.86 64.94 1gwp h ILE 37 Cb 1.19 0.23 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1gwp h ILE 37 CO 0.01 0.23 -0.90 1.55 0.00 0.00 0.00 178.15 179.04 1gwp h PRO 38 N 1.00 0.61 -0.26 2.37 0.13 -1.82 -1.74 132.00 132.28 1gwp h PRO 38 Ca 0.26 -0.58 -0.09 0.00 -0.87 0.00 0.00 66.00 64.72 1gwp h PRO 38 Cb 0.01 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 31.27 1gwp h PRO 38 CO -0.04 1.20 -0.21 0.52 -0.23 0.00 0.00 178.00 179.23 1gwp h MET 39 N 0.37 0.49 -0.03 0.86 2.86 -1.61 -1.19 114.93 116.68 1gwp h MET 39 Ca -0.08 -0.17 -0.16 0.00 -2.06 0.00 0.00 59.70 57.23 1gwp h MET 39 Cb 1.53 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.17 1gwp h MET 39 CO 0.17 0.67 -0.61 0.35 1.06 0.00 0.00 176.91 178.56 1gwp h PHE 40 N 0.44 0.67 -0.85 -0.22 3.57 -0.15 -1.30 116.94 119.10 1gwp h PHE 40 Ca 0.07 -0.34 -0.01 0.00 3.53 0.00 0.00 57.97 61.22 1gwp h PHE 40 Cb 0.61 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.23 1gwp h PHE 40 CO 0.02 1.15 0.49 0.66 -2.23 0.00 0.00 178.31 178.40 1gwp h SER 41 N 0.00 1.04 -0.06 0.41 4.64 -1.21 0.47 113.55 118.84 1gwp h SER 41 Ca -0.07 -0.08 -0.02 0.00 -0.47 0.00 0.00 61.79 61.16 1gwp h SER 41 Cb 1.29 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1gwp h SER 41 CO 0.12 0.82 -0.05 0.00 -0.87 0.00 0.00 176.83 176.85 1gwp h ALA 42 N 1.35 0.09 0.00 5.18 0.00 -1.24 -1.01 119.26 123.63 1gwp h ALA 42 Ca 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1gwp h ALA 42 Cb -0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1gwp h ALA 42 CO -0.05 -0.13 -0.07 -0.07 0.00 0.00 0.00 179.25 178.93 1gwp h LEU 43 N -0.28 0.00 -3.88 0.00 3.38 -0.87 -1.41 115.31 112.25 1gwp h LEU 43 Ca 0.01 0.00 -0.61 0.00 0.09 0.00 0.00 57.88 57.37 1gwp h LEU 43 Cb 0.53 0.00 -0.36 0.00 0.09 0.00 0.00 40.66 40.92 1gwp h LEU 43 CO 0.01 0.07 0.01 -0.24 0.09 0.00 0.00 178.44 178.38 1gwp n SER 44 N -4.22 6.29 -0.23 -0.43 2.88 0.16 -4.76 113.62 113.31 1gwp n SER 44 Ca -0.03 -3.77 0.03 0.00 -1.33 0.00 0.00 58.87 53.77 1gwp n SER 44 Cb 0.15 -0.65 0.13 0.00 -0.75 0.00 0.00 64.21 63.09 1gwp n SER 44 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 1gwp h GLU 45 N 2.10 0.13 -1.12 -1.46 4.57 -0.03 -3.29 114.58 115.48 1gwp h GLU 45 Ca 0.49 -0.01 -0.38 0.00 -1.18 0.00 0.00 59.36 58.28 1gwp h GLU 45 Cb 1.18 -0.03 -0.29 0.00 -0.16 0.00 0.00 28.75 29.45 1gwp h GLU 45 CO 1.17 0.09 -0.87 0.41 -1.18 0.00 0.00 179.01 178.63 1gwp n GLY 46 N -1.38 2.26 3.92 1.92 0.00 -1.26 -4.67 105.19 105.97 1gwp n GLY 46 Ca 0.11 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.92 1gwp n GLY 46 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwp s ALA 47 N -1.21 3.61 0.91 4.61 0.00 -1.24 -3.67 121.76 124.78 1gwp s ALA 47 Ca 0.32 -0.65 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 1gwp s ALA 47 Cb 0.32 -2.29 0.04 0.00 0.00 0.00 0.00 23.12 21.19 1gwp s ALA 47 CO -0.07 0.09 0.25 0.25 0.00 0.00 0.00 175.76 176.28 1gwp n THR 48 N -1.35 0.00 0.08 0.00 -2.24 -1.26 -4.72 114.28 104.79 1gwp n THR 48 Ca -0.02 -0.21 -0.08 0.00 -2.27 0.00 0.00 64.05 61.47 1gwp n THR 48 Cb 0.55 -1.80 0.02 0.00 -2.10 0.00 0.00 70.33 66.99 1gwp n THR 48 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 1gwp h PRO 49 N 0.00 0.22 0.01 -0.78 0.13 -1.94 -1.57 132.00 128.07 1gwp h PRO 49 Ca -0.08 -0.22 -0.22 0.00 -0.87 0.00 0.00 66.00 64.60 1gwp h PRO 49 Cb 0.23 0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.42 1gwp h PRO 49 CO 0.06 0.92 -0.96 0.37 -0.23 0.00 0.00 178.00 178.16 1gwp h GLN 50 N 0.14 0.35 0.40 0.86 4.15 -1.97 -0.54 115.11 118.49 1gwp h GLN 50 Ca -0.04 -0.40 -0.02 0.00 0.77 0.00 0.00 58.65 58.97 1gwp h GLN 50 Cb 1.41 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.22 1gwp h GLN 50 CO 0.13 1.09 -0.19 0.22 -1.93 0.00 0.00 178.83 178.14 1gwp h ASP 51 N 0.19 -0.46 -0.61 -0.69 1.82 -1.92 -0.29 116.42 114.47 1gwp h ASP 51 Ca -0.08 -0.11 0.04 0.00 -0.39 0.00 0.00 57.03 56.48 1gwp h ASP 51 Cb 1.60 0.12 -0.04 0.00 0.68 0.00 0.00 39.33 41.69 1gwp h ASP 51 CO 0.16 -0.04 0.36 -0.07 -1.61 0.00 0.00 179.24 178.04 1gwp h LEU 52 N -0.98 0.57 -0.82 2.28 3.38 -1.39 -0.84 115.31 117.51 1gwp h LEU 52 Ca -0.06 0.01 0.07 0.00 0.09 0.00 0.00 57.88 57.99 1gwp h LEU 52 Cb 0.54 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 1gwp h LEU 52 CO 0.09 0.39 0.49 -1.13 0.09 0.00 0.00 178.44 178.37 1gwp h ASN 53 N 0.69 0.76 0.97 -0.43 -1.24 -1.11 -0.55 115.58 114.68 1gwp h ASN 53 Ca 0.25 0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.24 1gwp h ASN 53 Cb 0.07 -0.13 0.01 0.00 0.73 0.00 0.00 38.32 39.00 1gwp h ASN 53 CO -0.12 0.47 -0.48 0.74 -1.29 0.00 0.00 177.43 176.75 1gwp h THR 54 N 0.89 0.00 -1.04 -3.57 2.02 0.21 0.15 112.91 111.57 1gwp h THR 54 Ca 0.37 0.00 0.26 0.00 0.77 0.00 0.00 66.41 67.81 1gwp h THR 54 Cb 0.21 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 66.53 1gwp h THR 54 CO -0.19 0.00 0.66 -0.03 0.37 0.00 0.00 175.52 176.33 1gwp h MET 55 N -1.32 0.40 -0.19 6.66 4.05 -0.89 0.46 114.93 124.09 1gwp h MET 55 Ca -0.13 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.20 1gwp h MET 55 Cb 1.02 -0.09 -0.00 0.00 -0.80 0.00 0.00 31.60 31.72 1gwp h MET 55 CO 0.21 0.27 -0.12 -0.07 0.23 0.00 0.00 176.91 177.43 1gwp h LEU 56 N 0.42 0.44 -1.82 3.39 4.07 -0.70 -0.19 115.31 120.91 1gwp h LEU 56 Ca 0.60 -0.43 -0.03 0.00 0.08 0.00 0.00 57.88 58.10 1gwp h LEU 56 Cb 1.48 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 1gwp h LEU 56 CO -0.32 0.78 -0.12 -1.13 -1.08 0.00 0.00 178.44 176.57 1gwp h ASN 57 N 0.11 0.00 0.72 -0.43 -1.24 0.25 -1.19 115.58 113.79 1gwp h ASN 57 Ca 0.04 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 56.85 1gwp h ASN 57 Cb 0.63 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 1gwp h ASN 57 CO 0.03 0.12 -0.92 0.74 -1.29 0.00 0.00 177.43 176.11 1gwp h THR 58 N 0.00 1.56 -1.76 -3.57 2.02 0.02 -3.45 112.91 107.73 1gwp h THR 58 Ca -0.00 -2.85 -0.51 0.00 0.77 0.00 0.00 66.41 63.82 1gwp h THR 58 Cb 0.23 2.59 0.25 0.00 -1.74 0.00 0.00 68.15 69.48 1gwp h THR 58 CO 0.02 0.82 -2.00 0.55 0.37 0.00 0.00 175.52 175.28 1gwp n VAL 59 N -3.57 0.00 -0.27 3.16 3.14 -0.11 -4.66 118.33 116.01 1gwp n VAL 59 Ca -0.03 -0.23 0.14 0.00 -2.96 0.00 0.00 64.34 61.27 1gwp n VAL 59 Cb 0.85 -0.15 0.28 0.00 -1.06 0.00 0.00 33.84 33.75 1gwp n VAL 59 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1gwp n GLY 60 N 3.08 -1.01 0.27 7.55 0.00 -1.26 -4.79 105.19 109.03 1gwp n GLY 60 Ca -0.01 0.76 0.00 0.00 0.00 0.00 0.00 46.02 46.78 1gwp n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gwp n GLY 61 N -1.37 0.71 3.65 -0.02 0.00 -1.26 -5.08 105.19 101.81 1gwp n GLY 61 Ca 0.21 -0.42 -0.37 0.00 0.00 0.00 0.00 46.02 45.44 1gwp n GLY 61 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1gwp s HIS 62 N -1.83 3.30 0.28 1.61 3.76 -1.26 -4.97 115.29 116.18 1gwp s HIS 62 Ca 0.00 0.23 -0.03 0.00 -0.15 0.00 0.00 55.06 55.11 1gwp s HIS 62 Cb 0.00 -2.30 0.39 0.00 1.11 0.00 0.00 32.58 31.78 1gwp s HIS 62 CO 0.00 0.02 1.92 1.96 -0.85 0.00 0.00 174.74 177.79 1gwp h GLN 63 N 7.67 1.08 -0.07 1.40 7.50 -1.98 0.15 115.11 130.86 1gwp h GLN 63 Ca -0.37 -0.10 -0.01 0.00 0.50 0.00 0.00 58.65 58.66 1gwp h GLN 63 Cb 1.17 -0.22 -0.00 0.00 0.05 0.00 0.00 27.48 28.48 1gwp h GLN 63 CO 0.64 0.77 -0.01 0.00 -1.50 0.00 0.00 178.83 178.72 1gwp h ALA 64 N 1.42 0.09 0.14 3.87 0.00 -1.98 0.17 119.26 122.97 1gwp h ALA 64 Ca 0.28 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.00 1gwp h ALA 64 Cb -0.02 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1gwp h ALA 64 CO -0.05 -0.20 -0.23 0.00 0.00 0.00 0.00 179.25 178.77 1gwp h ALA 65 N 0.67 -0.41 -0.19 0.00 0.00 -1.87 -0.89 119.26 116.56 1gwp h ALA 65 Ca 0.02 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gwp h ALA 65 Cb 0.40 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1gwp h ALA 65 CO 0.01 -0.77 0.11 0.52 0.00 0.00 0.00 179.25 179.11 1gwp h MET 66 N -0.45 0.26 0.50 0.00 2.07 -0.70 -1.48 114.93 115.13 1gwp h MET 66 Ca 0.02 -0.02 -0.02 0.00 -2.07 0.00 0.00 59.70 57.61 1gwp h MET 66 Cb 0.46 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.14 1gwp h MET 66 CO -0.12 0.19 -0.24 1.96 1.07 0.00 0.00 176.91 179.77 1gwp h GLN 67 N 0.26 -0.64 -0.79 1.72 4.20 0.55 0.21 115.11 120.63 1gwp h GLN 67 Ca 0.07 0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1gwp h GLN 67 Cb -0.00 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 27.89 1gwp h GLN 67 CO -0.01 -0.41 0.52 0.52 -0.67 0.00 0.00 178.83 178.78 1gwp h MET 68 N -0.70 1.03 -0.37 1.46 2.86 -0.84 -0.76 114.93 117.60 1gwp h MET 68 Ca -0.07 -0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.48 1gwp h MET 68 Cb 0.53 -0.23 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 1gwp h MET 68 CO 0.11 0.68 0.10 1.25 1.06 0.00 0.00 176.91 180.12 1gwp h LEU 69 N 1.06 0.49 -0.01 1.22 6.46 -1.09 0.31 115.31 123.74 1gwp h LEU 69 Ca 0.29 -0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.99 1gwp h LEU 69 Cb -0.11 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.69 1gwp h LEU 69 CO -0.07 0.48 0.00 0.50 -0.62 0.00 0.00 178.44 178.73 1gwp h LYS 70 N 0.53 0.02 -0.64 1.25 3.64 0.62 -0.68 116.57 121.30 1gwp h LYS 70 Ca 0.13 -0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.53 1gwp h LYS 70 Cb 0.18 -0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.96 1gwp h LYS 70 CO -0.01 0.31 0.39 1.49 -2.27 0.00 0.00 179.45 179.37 1gwp h GLU 71 N -0.28 0.75 0.84 1.90 4.81 -0.71 -0.17 114.58 121.72 1gwp h GLU 71 Ca 0.00 -0.04 -0.04 0.00 -0.13 0.00 0.00 59.36 59.15 1gwp h GLU 71 Cb 0.30 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 1gwp h GLU 71 CO 0.00 0.49 -0.48 1.15 -0.73 0.00 0.00 179.01 179.44 1gwp h THR 72 N 0.77 0.00 -0.72 0.32 2.02 -0.83 -0.39 112.91 114.08 1gwp h THR 72 Ca 0.26 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.59 1gwp h THR 72 Cb 0.02 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.32 1gwp h THR 72 CO -0.10 0.00 0.10 0.40 0.37 0.00 0.00 175.52 176.28 1gwp h ILE 73 N -1.23 0.46 -0.91 3.11 2.04 -0.96 0.81 117.51 120.82 1gwp h ILE 73 Ca -0.11 -0.06 0.11 0.00 1.00 0.00 0.00 64.86 65.80 1gwp h ILE 73 Cb 0.97 0.25 -0.07 0.00 -0.74 0.00 0.00 36.82 37.23 1gwp h ILE 73 CO 0.13 0.03 0.59 -1.13 0.00 0.00 0.00 178.15 177.78 1gwp h ASN 74 N 0.19 0.79 0.45 1.72 -0.73 -0.69 -1.49 115.58 115.81 1gwp h ASN 74 Ca 0.40 0.03 -0.02 0.00 1.87 0.00 0.00 56.30 58.58 1gwp h ASN 74 Cb 0.68 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.15 1gwp h ASN 74 CO -0.56 0.44 -0.21 -0.33 -0.37 0.00 0.00 177.43 176.40 1gwp h GLU 75 N 0.86 -0.58 -0.71 6.67 5.08 0.23 -1.30 114.58 124.83 1gwp h GLU 75 Ca 0.44 0.04 0.16 0.00 -1.00 0.00 0.00 59.36 59.00 1gwp h GLU 75 Cb 0.51 0.13 -0.12 0.00 0.50 0.00 0.00 28.75 29.77 1gwp h GLU 75 CO -0.20 -0.33 0.07 0.93 -1.00 0.00 0.00 179.01 178.48 1gwp h GLU 76 N -0.70 0.16 -0.25 2.33 3.07 -0.41 0.20 114.58 118.98 1gwp h GLU 76 Ca -0.06 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 1gwp h GLU 76 Cb 0.51 -0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 28.36 1gwp h GLU 76 CO 0.10 0.11 0.07 0.00 -1.40 0.00 0.00 179.01 177.89 1gwp h ALA 77 N 1.63 0.27 -0.55 3.43 0.00 -1.11 -0.23 119.26 122.70 1gwp h ALA 77 Ca 0.39 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.43 1gwp h ALA 77 Cb 0.67 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.41 1gwp h ALA 77 CO -0.57 -0.34 0.12 0.00 0.00 0.00 0.00 179.25 178.46 1gwp h ALA 78 N 1.17 0.64 -0.07 0.00 0.00 0.47 0.35 119.26 121.82 1gwp h ALA 78 Ca 0.11 0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1gwp h ALA 78 Cb 0.09 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1gwp h ALA 78 CO -0.13 -0.30 -0.01 0.93 0.00 0.00 0.00 179.25 179.75 1gwp h GLU 79 N 0.26 0.10 -0.46 0.00 5.08 -0.09 0.45 114.58 119.93 1gwp h GLU 79 Ca 0.28 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1gwp h GLU 79 Cb 0.40 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 1gwp h GLU 79 CO -0.36 0.12 0.08 2.35 -1.00 0.00 0.00 179.01 180.21 1gwp h TRP 80 N 0.10 0.80 -0.04 4.33 2.91 0.14 0.65 115.95 124.84 1gwp h TRP 80 Ca 0.03 -0.11 -0.02 0.00 1.13 0.00 0.00 58.89 59.92 1gwp h TRP 80 Cb 0.09 -0.22 0.00 0.00 -0.51 0.00 0.00 29.16 28.52 1gwp h TRP 80 CO 0.00 0.74 -0.06 0.22 -1.03 0.00 0.00 178.44 178.31 1gwp h ASP 81 N 0.62 0.12 -0.33 2.65 1.82 0.06 0.27 116.42 121.63 1gwp h ASP 81 Ca 0.14 -0.55 0.04 0.00 -0.39 0.00 0.00 57.03 56.27 1gwp h ASP 81 Cb 0.37 -0.03 -0.04 0.00 0.68 0.00 0.00 39.33 40.31 1gwp h ASP 81 CO 0.01 0.65 0.10 0.03 -1.61 0.00 0.00 179.24 178.41 1gwp h ARG 82 N -0.41 0.22 0.00 0.28 -0.00 -0.05 -3.07 114.38 111.36 1gwp h ARG 82 Ca 0.00 -0.01 0.00 0.00 -0.50 0.00 0.00 59.98 59.47 1gwp h ARG 82 Cb 0.63 -0.05 0.00 0.00 0.00 0.00 0.00 29.97 30.55 1gwp h ARG 82 CO 0.01 0.15 0.00 1.28 0.00 0.00 0.00 179.97 181.41 1gwp n LEU 83 N -5.05 0.18 -4.46 3.04 4.77 0.22 -4.59 117.00 111.12 1gwp n LEU 83 Ca 0.01 0.71 -0.43 0.00 -0.03 0.00 0.00 56.01 56.27 1gwp n LEU 83 Cb 0.13 -0.43 -0.09 0.00 -2.33 0.00 0.00 43.42 40.70 1gwp n LEU 83 CO 0.27 -0.43 0.03 -1.38 -1.33 0.00 0.00 177.39 174.54 1gwp s HIS 84 N -1.91 3.21 0.75 -1.77 -3.43 0.96 -5.06 115.29 108.04 1gwp s HIS 84 Ca 0.00 -0.55 -0.11 0.00 -0.80 0.00 0.00 55.06 53.59 1gwp s HIS 84 Cb 0.00 -2.82 0.04 0.00 -1.43 0.00 0.00 32.58 28.37 1gwp s HIS 84 CO 0.00 -0.68 1.08 -1.25 -2.00 0.00 0.00 174.74 171.89 1gwp s PRO 85 N 1.88 2.45 -0.29 -0.38 0.04 -1.16 -3.89 135.00 133.65 1gwp s PRO 85 Ca 0.08 0.78 -0.24 0.00 0.04 0.00 0.00 61.00 61.65 1gwp s PRO 85 Cb -0.19 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.58 1gwp s PRO 85 CO 0.11 -1.40 1.34 0.54 0.04 0.00 0.00 177.00 177.63 1gwp s VAL 86 N -3.11 0.00 0.06 -0.36 0.11 -1.26 -5.06 120.40 110.78 1gwp s VAL 86 Ca 0.60 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.72 1gwp s VAL 86 Cb -0.14 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.68 1gwp s VAL 86 CO 0.55 0.00 -0.21 -2.28 -3.33 0.00 0.00 175.10 169.82 1gwp s HIS 87 N 0.18 1.85 -0.04 1.54 2.46 -1.26 -4.96 115.29 115.06 1gwp s HIS 87 Ca 0.05 -0.39 -0.02 0.00 0.47 0.00 0.00 55.06 55.18 1gwp s HIS 87 Cb -0.05 -1.08 -0.04 0.00 -0.13 0.00 0.00 32.58 31.29 1gwp s HIS 87 CO -0.13 0.13 0.07 0.00 -2.47 0.00 0.00 174.74 172.34 1gwp s ALA 88 N -0.90 3.57 0.00 1.58 0.00 -1.26 -4.93 121.76 119.81 1gwp s ALA 88 Ca 0.08 -0.83 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1gwp s ALA 88 Cb -0.09 -1.61 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1gwp s ALA 88 CO 0.03 0.66 0.00 0.41 0.00 0.00 0.00 175.76 176.86 1gwp n GLY 89 N 1.48 -2.21 2.91 0.00 0.00 -1.26 -5.02 105.19 101.09 1gwp n GLY 89 Ca -0.15 0.80 -0.42 0.00 0.00 0.00 0.00 46.02 46.24 1gwp n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gwp n PRO 90 N 0.00 2.15 -3.87 1.61 -0.04 -1.26 -4.84 135.00 128.74 1gwp n PRO 90 Ca 0.00 -2.18 -0.35 0.00 -0.04 0.00 0.00 63.50 60.92 1gwp n PRO 90 Cb 0.00 -3.08 -0.13 0.00 -0.04 0.00 0.00 33.50 30.25 1gwp n PRO 90 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1gwp s ILE 91 N 4.12 3.09 0.51 0.52 -1.09 -1.26 -5.09 121.20 122.00 1gwp s ILE 91 Ca 0.53 -1.53 -0.22 0.00 -2.23 0.00 0.00 60.65 57.20 1gwp s ILE 91 Cb 0.14 -2.86 -0.06 0.00 -1.58 0.00 0.00 42.46 38.10 1gwp s ILE 91 CO 0.02 -0.24 1.23 0.00 -1.23 0.00 0.00 174.94 174.72 1gwp s ALA 92 N 1.23 2.84 -1.01 9.38 0.00 -1.26 -4.89 121.76 128.05 1gwp s ALA 92 Ca -0.02 1.07 -0.23 0.00 0.00 0.00 0.00 51.96 52.78 1gwp s ALA 92 Cb -0.20 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1gwp s ALA 92 CO -0.02 -0.97 1.72 -1.25 0.00 0.00 0.00 175.76 175.24 1gwp s PRO 93 N -2.89 3.11 0.00 0.00 0.04 -1.26 -1.93 135.00 132.07 1gwp s PRO 93 Ca 0.69 -0.87 0.00 0.00 0.04 0.00 0.00 61.00 60.86 1gwp s PRO 93 Cb -0.32 -5.25 0.00 0.00 0.04 0.00 0.00 34.50 28.97 1gwp s PRO 93 CO 0.38 -2.84 0.00 0.41 0.04 0.00 0.00 177.00 174.99 1gwp n GLY 94 N 6.65 0.25 3.91 0.56 0.00 -1.26 -5.14 105.19 110.16 1gwp n GLY 94 Ca 0.38 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 46.14 1gwp n GLY 94 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gwp s GLN 95 N 0.00 3.55 -0.25 1.61 -2.07 -0.82 -5.06 119.66 116.63 1gwp s GLN 95 Ca 0.00 0.04 -0.16 0.00 -1.82 0.00 0.00 55.36 53.42 1gwp s GLN 95 Cb 0.00 -2.49 -0.04 0.00 -1.09 0.00 0.00 33.01 29.40 1gwp s GLN 95 CO 0.00 -0.05 0.41 1.41 -1.32 0.00 0.00 175.29 175.74 1gwp s MET 96 N -4.44 4.07 0.55 9.60 -2.45 -1.26 -4.87 119.30 120.50 1gwp s MET 96 Ca 0.45 0.14 0.05 0.00 -1.25 0.00 0.00 55.69 55.08 1gwp s MET 96 Cb -0.10 -3.62 0.04 0.00 1.25 0.00 0.00 34.83 32.40 1gwp s MET 96 CO 0.40 -0.22 0.36 -0.98 1.05 0.00 0.00 175.02 175.63 1gwp s ARG 97 N 1.89 2.24 -0.73 4.11 1.70 -1.26 -5.09 118.95 121.81 1gwp s ARG 97 Ca 0.17 -2.10 0.04 0.00 -0.47 0.00 0.00 55.73 53.38 1gwp s ARG 97 Cb -0.15 -2.02 0.18 0.00 -0.57 0.00 0.00 34.95 32.39 1gwp s ARG 97 CO 0.09 -0.62 0.54 0.39 -1.08 0.00 0.00 175.30 174.62 1gwp n GLU 98 N -1.73 1.96 -1.54 3.89 1.02 -1.26 -5.09 120.64 117.88 1gwp n GLU 98 Ca -0.04 -4.50 -0.29 0.00 -0.02 0.00 0.00 57.16 52.30 1gwp n GLU 98 Cb 0.65 -2.30 0.12 0.00 -0.02 0.00 0.00 31.44 29.88 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1gwp s PRO 99 N -1.51 1.53 0.00 3.49 0.04 -1.26 -4.84 135.00 132.45 1gwp s PRO 99 Ca 0.26 0.43 0.00 0.00 0.04 0.00 0.00 61.00 61.73 1gwp s PRO 99 Cb -0.04 -1.87 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1gwp s PRO 99 CO -0.16 -1.96 0.00 0.54 0.04 0.00 0.00 177.00 175.46 1gwp n ARG 100 N -3.63 -0.30 0.23 4.56 1.74 -1.26 -4.80 116.66 113.20 1gwp n ARG 100 Ca 0.07 0.00 0.15 0.00 -0.77 0.00 0.00 57.85 57.30 1gwp n ARG 100 Cb 0.58 0.00 0.82 0.00 -1.02 0.00 0.00 32.46 32.84 1gwp n ARG 100 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 1gwp h GLY 101 N -0.21 0.00 0.30 -0.13 0.00 -1.88 -0.65 103.07 100.50 1gwp h GLY 101 Ca 0.00 0.00 0.24 0.00 0.00 0.00 0.00 47.33 47.57 1gwp h GLY 101 CO 0.00 0.00 0.62 1.48 0.00 0.00 0.00 176.54 178.64 1gwp h SER 102 N 0.00 0.00 -0.10 0.19 4.64 -1.90 0.43 113.55 116.82 1gwp h SER 102 Ca 0.06 0.00 -0.15 0.00 -0.47 0.00 0.00 61.79 61.23 1gwp h SER 102 Cb 0.31 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1gwp h SER 102 CO -0.00 0.00 -0.52 -0.78 -0.87 0.00 0.00 176.83 174.66 1gwp h ASP 103 N 0.00 0.62 -0.01 4.97 3.58 -1.42 -2.86 116.42 121.29 1gwp h ASP 103 Ca 0.40 -0.65 0.00 0.00 0.42 0.00 0.00 57.03 57.20 1gwp h ASP 103 Cb 1.62 -0.18 -0.00 0.00 1.72 0.00 0.00 39.33 42.49 1gwp h ASP 103 CO -0.00 1.17 0.02 0.40 -2.88 0.00 0.00 179.24 177.95 1gwp h ILE 104 N 0.11 0.28 0.00 2.25 2.04 -0.29 0.50 117.51 122.40 1gwp h ILE 104 Ca -0.04 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.76 1gwp h ILE 104 Cb 1.17 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 38.22 1gwp h ILE 104 CO 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 178.15 177.98 1gwp h ALA 105 N 1.96 0.86 -0.06 1.87 0.00 -1.03 -3.45 119.26 119.41 1gwp h ALA 105 Ca 0.01 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1gwp h ALA 105 Cb 0.06 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1gwp h ALA 105 CO -0.00 0.35 -0.02 0.41 0.00 0.00 0.00 179.25 179.99 1gwp n GLY 106 N 0.87 0.41 0.17 0.00 0.00 0.17 -4.94 105.19 101.88 1gwp n GLY 106 Ca 0.02 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.88 1gwp n GLY 106 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1gwp h THR 107 N 0.00 1.35 0.00 2.61 2.02 -1.73 -3.35 112.91 113.80 1gwp h THR 107 Ca -0.02 -2.42 -0.14 0.00 0.77 0.00 0.00 66.41 64.61 1gwp h THR 107 Cb 0.34 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.20 1gwp h THR 107 CO 0.03 0.73 -1.82 0.41 0.37 0.00 0.00 175.52 175.23 1gwp n THR 108 N -3.77 0.51 -4.25 3.16 -1.04 -1.26 -5.00 114.28 102.63 1gwp n THR 108 Ca -0.09 -0.47 -0.23 0.00 -2.04 0.00 0.00 64.05 61.21 1gwp n THR 108 Cb 0.88 -0.27 -0.07 0.00 -1.82 0.00 0.00 70.33 69.05 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1gwp s SER 109 N -4.25 4.50 0.42 8.00 1.04 -1.26 -5.12 113.70 117.04 1gwp s SER 109 Ca -0.06 -0.76 0.07 0.00 0.48 0.00 0.00 55.95 55.67 1gwp s SER 109 Cb 0.07 -0.74 0.07 0.00 0.10 0.00 0.00 66.02 65.51 1gwp s SER 109 CO 0.59 -0.14 0.54 0.35 0.98 0.00 0.00 173.24 175.56 1gwp n THR 110 N -0.98 0.00 -0.05 2.02 -2.24 -1.26 -4.30 114.28 107.47 1gwp n THR 110 Ca -0.05 -1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 60.17 1gwp n THR 110 Cb 0.60 -0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 68.25 1gwp n THR 110 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1gwp h LEU 111 N 0.00 0.22 -0.63 3.22 5.85 -1.99 -1.22 115.31 120.77 1gwp h LEU 111 Ca -0.21 -0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.62 1gwp h LEU 111 Cb 0.93 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.82 1gwp h LEU 111 CO 0.31 0.16 0.18 1.56 -0.34 0.00 0.00 178.44 180.31 1gwp h GLN 112 N 0.27 0.32 -0.26 1.25 4.20 -1.99 0.13 115.11 119.03 1gwp h GLN 112 Ca 0.08 -0.02 0.01 0.00 0.06 0.00 0.00 58.65 58.78 1gwp h GLN 112 Cb -0.02 -0.07 -0.02 0.00 0.30 0.00 0.00 27.48 27.67 1gwp h GLN 112 CO -0.03 0.21 0.14 0.93 -0.67 0.00 0.00 178.83 179.41 1gwp h GLU 113 N 0.33 0.29 -0.81 1.46 5.08 -1.80 -0.89 114.58 118.24 1gwp h GLU 113 Ca 0.33 -0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.72 1gwp h GLU 113 Cb 0.47 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 29.61 1gwp h GLU 113 CO -0.38 0.19 0.53 1.96 -1.00 0.00 0.00 179.01 180.32 1gwp h GLN 114 N 0.30 0.94 -0.74 2.33 4.20 0.00 -0.55 115.11 121.59 1gwp h GLN 114 Ca 0.10 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.70 1gwp h GLN 114 Cb 0.01 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 27.54 1gwp h GLN 114 CO -0.05 0.62 0.23 0.82 -0.67 0.00 0.00 178.83 179.77 1gwp h ILE 115 N 0.96 1.26 0.25 2.54 5.03 -0.01 -0.74 117.51 126.81 1gwp h ILE 115 Ca 0.33 -0.91 -0.01 0.00 -0.12 0.00 0.00 64.86 64.15 1gwp h ILE 115 Cb 0.10 0.45 0.00 0.00 -3.03 0.00 0.00 36.82 34.34 1gwp h ILE 115 CO -0.10 0.36 -0.12 1.23 -0.68 0.00 0.00 178.15 178.84 1gwp h GLY 116 N 1.10 -0.34 0.73 5.37 0.00 0.20 0.58 103.07 110.72 1gwp h GLY 116 Ca 0.24 0.13 0.11 0.00 0.00 0.00 0.00 47.33 47.80 1gwp h GLY 116 CO -0.01 -0.13 0.55 1.49 0.00 0.00 0.00 176.54 178.45 1gwp h TRP 117 N -0.46 0.85 0.00 5.60 6.55 -1.07 0.77 115.95 128.19 1gwp h TRP 117 Ca -0.03 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.83 1gwp h TRP 117 Cb 0.35 -0.27 0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1gwp h TRP 117 CO -0.02 0.38 0.00 1.98 -1.05 0.00 0.00 178.44 179.73 1gwp h MET 118 N 0.78 0.00 -0.21 0.49 4.05 -0.65 0.29 114.93 119.69 1gwp h MET 118 Ca 0.40 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.80 1gwp h MET 118 Cb 0.48 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.28 1gwp h MET 118 CO -0.17 0.00 -0.01 2.41 0.23 0.00 0.00 176.91 179.38 1gwp n THR 119 N -2.49 2.22 -4.19 -0.77 -1.04 0.20 -4.37 114.28 103.85 1gwp n THR 119 Ca 0.05 -2.05 -0.25 0.00 -2.04 0.00 0.00 64.05 59.76 1gwp n THR 119 Cb 0.43 -0.26 -0.08 0.00 -1.82 0.00 0.00 70.33 68.60 1gwp n THR 119 CO 0.00 0.00 0.00 -1.00 -0.64 0.00 0.00 175.07 173.43 1gwp s HIS 120 N -2.88 2.60 -0.22 -1.42 4.02 0.21 -4.94 115.29 112.66 1gwp s HIS 120 Ca 0.40 -0.54 -0.04 0.00 1.02 0.00 0.00 55.06 55.90 1gwp s HIS 120 Cb 0.33 -1.83 -0.01 0.00 -1.02 0.00 0.00 32.58 30.06 1gwp s HIS 120 CO 0.07 0.27 -0.03 -0.80 1.02 0.00 0.00 174.74 175.26 1gwp s ASN 121 N -3.85 4.39 0.80 1.40 -0.87 -1.26 0.09 114.94 115.64 1gwp s ASN 121 Ca 0.39 -0.36 -0.11 0.00 -1.57 0.00 0.00 52.86 51.21 1gwp s ASN 121 Cb 0.03 -1.75 0.07 0.00 -0.02 0.00 0.00 41.25 39.57 1gwp s ASN 121 CO 0.22 -0.01 1.10 -2.16 -2.57 0.00 0.00 177.10 173.68 1gwp s PRO 122 N 1.42 2.08 -0.23 -0.60 0.04 -1.26 -5.08 135.00 131.37 1gwp s PRO 122 Ca 0.05 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.43 1gwp s PRO 122 Cb -0.14 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.47 1gwp s PRO 122 CO -0.02 -1.62 1.31 -1.25 0.04 0.00 0.00 177.00 175.45 1gwp s PRO 123 N -5.16 4.06 -0.24 0.56 0.04 0.11 -4.90 135.00 129.48 1gwp s PRO 123 Ca 0.61 1.49 -0.27 0.00 0.04 0.00 0.00 61.00 62.87 1gwp s PRO 123 Cb -0.14 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.54 -0.93 0.92 0.42 0.04 0.00 0.00 177.00 178.00 1gwp s ILE 124 N 4.01 4.76 0.00 0.56 1.09 0.10 -4.91 121.20 126.80 1gwp s ILE 124 Ca 0.57 1.75 -0.04 0.00 -1.10 0.00 0.00 60.65 61.83 1gwp s ILE 124 Cb -0.20 -4.21 -0.17 0.00 -1.06 0.00 0.00 42.46 36.82 1gwp s ILE 124 CO 0.19 -0.14 2.63 -0.81 -0.10 0.00 0.00 174.94 176.71 1gwp n PRO 125 N 6.18 1.38 -0.15 2.79 -0.04 -1.26 -3.53 135.00 140.37 1gwp n PRO 125 Ca 0.08 -0.63 0.20 0.00 -0.04 0.00 0.00 63.50 63.11 1gwp n PRO 125 Cb 0.47 -1.76 0.58 0.00 -0.04 0.00 0.00 33.50 32.76 1gwp n PRO 125 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 1gwp h VAL 126 N 2.10 0.71 0.00 0.52 3.04 -1.91 0.51 116.25 121.22 1gwp h VAL 126 Ca 0.12 -0.09 -0.00 0.00 -1.01 0.00 0.00 66.70 65.72 1gwp h VAL 126 Cb 1.08 0.43 0.00 0.00 -2.01 0.00 0.00 31.29 30.79 1gwp h VAL 126 CO 0.25 0.05 -0.00 1.23 -1.01 0.00 0.00 177.57 178.09 1gwp h GLY 127 N 0.25 -0.00 -0.05 3.17 0.00 -1.85 -1.22 103.07 103.38 1gwp h GLY 127 Ca 0.38 0.00 0.28 0.00 0.00 0.00 0.00 47.33 47.99 1gwp h GLY 127 CO -0.09 -0.00 0.71 -2.09 0.00 0.00 0.00 176.54 175.07 1gwp h GLU 128 N -0.00 0.13 0.57 4.80 4.81 -1.77 0.31 114.58 123.42 1gwp h GLU 128 Ca -0.00 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.19 1gwp h GLU 128 Cb 0.00 -0.03 0.01 0.00 0.63 0.00 0.00 28.75 29.36 1gwp h GLU 128 CO 0.00 0.09 -0.27 0.82 -0.73 0.00 0.00 179.01 178.91 1gwp h ILE 129 N 0.13 0.27 -0.99 2.32 2.04 -0.03 -0.61 117.51 120.64 1gwp h ILE 129 Ca 0.51 -0.37 0.06 0.00 1.00 0.00 0.00 64.86 66.07 1gwp h ILE 129 Cb 1.79 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 38.17 1gwp h ILE 129 CO -0.09 0.04 0.65 0.22 0.00 0.00 0.00 178.15 178.96 1gwp h TYR 130 N -1.05 1.19 -0.62 1.37 3.20 0.28 0.17 116.97 121.51 1gwp h TYR 130 Ca -0.08 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.83 1gwp h TYR 130 Cb 0.65 -0.39 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1gwp h TYR 130 CO 0.00 0.63 0.40 -0.22 -1.64 0.00 0.00 178.16 177.34 1gwp h LYS 131 N 1.18 0.82 -0.38 1.82 3.64 -0.44 0.33 116.57 123.54 1gwp h LYS 131 Ca 0.42 -0.05 -0.11 0.00 -1.27 0.00 0.00 60.65 59.64 1gwp h LYS 131 Cb 0.14 -0.18 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1gwp h LYS 131 CO -0.16 0.55 -0.23 -0.09 -2.27 0.00 0.00 179.45 177.25 1gwp h ARG 132 N 0.84 0.76 0.45 1.90 2.43 0.03 -1.05 114.38 119.73 1gwp h ARG 132 Ca 0.23 -0.31 -0.02 0.00 -0.81 0.00 0.00 59.98 59.07 1gwp h ARG 132 Cb -0.09 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.43 1gwp h ARG 132 CO -0.05 0.92 -0.22 -1.49 -1.51 0.00 0.00 179.97 177.62 1gwp h TRP 133 N 0.66 -0.56 -0.81 2.20 6.55 0.02 0.54 115.95 124.56 1gwp h TRP 133 Ca 0.09 -0.01 0.17 0.00 0.95 0.00 0.00 58.89 60.09 1gwp h TRP 133 Cb 0.74 0.18 -0.15 0.00 -0.86 0.00 0.00 29.16 29.07 1gwp h TRP 133 CO 0.04 -0.35 -0.15 0.82 -1.05 0.00 0.00 178.44 177.75 1gwp h ILE 134 N -0.71 0.21 -0.38 1.49 2.04 -0.40 1.78 117.51 121.54 1gwp h ILE 134 Ca -0.06 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 1gwp h ILE 134 Cb 0.46 0.19 -0.02 0.00 -0.74 0.00 0.00 36.82 36.71 1gwp h ILE 134 CO 0.10 0.00 0.12 0.40 0.00 0.00 0.00 178.15 178.78 1gwp h ILE 135 N 0.02 1.16 -0.33 -0.67 5.03 -1.10 -1.38 117.51 120.23 1gwp h ILE 135 Ca 0.40 -0.53 0.05 0.00 -0.12 0.00 0.00 64.86 64.66 1gwp h ILE 135 Cb 0.65 0.74 -0.04 0.00 -3.03 0.00 0.00 36.82 35.14 1gwp h ILE 135 CO -0.81 0.20 0.06 0.25 -0.68 0.00 0.00 178.15 177.17 1gwp h LEU 136 N 0.54 0.01 -0.02 1.44 6.46 0.81 -0.75 115.31 123.79 1gwp h LEU 136 Ca 0.13 0.06 -0.00 0.00 -0.12 0.00 0.00 57.88 57.94 1gwp h LEU 136 Cb 0.15 0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.16 1gwp h LEU 136 CO -0.01 0.04 0.00 1.23 -0.62 0.00 0.00 178.44 179.08 1gwp h GLY 137 N 0.18 0.04 -0.36 3.75 0.00 -0.53 -1.52 103.07 104.64 1gwp h GLY 137 Ca 0.16 -0.03 0.18 0.00 0.00 0.00 0.00 47.33 47.64 1gwp h GLY 137 CO -0.21 0.03 0.06 1.41 0.00 0.00 0.00 176.54 177.83 1gwp h LEU 138 N -0.20 -0.26 -0.26 3.11 3.38 -0.88 0.71 115.31 120.90 1gwp h LEU 138 Ca 0.01 0.19 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1gwp h LEU 138 Cb 0.26 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1gwp h LEU 138 CO 0.00 -0.16 0.10 -1.13 0.09 0.00 0.00 178.44 177.34 1gwp h ASN 139 N 0.14 0.36 -0.69 -0.43 -1.24 -0.98 0.90 115.58 113.65 1gwp h ASN 139 Ca 0.44 -0.17 0.09 0.00 0.71 0.00 0.00 56.30 57.38 1gwp h ASN 139 Cb 0.80 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.71 1gwp h ASN 139 CO -0.65 0.43 0.46 0.50 -1.29 0.00 0.00 177.43 176.88 1gwp h LYS 140 N 0.27 0.55 -0.03 6.67 3.11 0.78 0.37 116.57 128.30 1gwp h LYS 140 Ca 0.09 -0.03 -0.02 0.00 -2.81 0.00 0.00 60.65 57.88 1gwp h LYS 140 Cb 0.18 -0.12 -0.00 0.00 -1.00 0.00 0.00 32.23 31.29 1gwp h LYS 140 CO -0.01 0.37 -0.05 0.82 -2.81 0.00 0.00 179.45 177.77 1gwp h ILE 141 N 0.57 1.41 -0.34 2.00 2.04 0.91 -2.68 117.51 121.41 1gwp h ILE 141 Ca 0.32 -1.29 0.04 0.00 1.00 0.00 0.00 64.86 64.93 1gwp h ILE 141 Cb 0.48 2.20 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 1gwp h ILE 141 CO -0.10 0.35 0.23 0.58 0.00 0.00 0.00 178.15 179.20 1gwp h VAL 142 N -0.40 0.99 -0.42 1.67 2.07 0.34 0.25 116.25 120.75 1gwp h VAL 142 Ca 0.00 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 67.40 1gwp h VAL 142 Cb 0.59 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1gwp h VAL 142 CO 0.01 0.06 0.19 0.03 0.02 0.00 0.00 177.57 177.88 1gwp h ARG 143 N 0.30 0.61 0.00 1.57 3.08 -0.16 0.57 114.38 120.36 1gwp h ARG 143 Ca 0.15 -0.09 0.00 0.00 0.07 0.00 0.00 59.98 60.10 1gwp h ARG 143 Cb 0.20 -0.11 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1gwp h ARG 143 CO -0.03 0.54 0.00 1.98 -1.07 0.00 0.00 179.97 181.39 1gwp h MET 144 N 0.54 0.00 0.10 0.04 4.05 -0.87 -3.28 114.93 115.51 1gwp h MET 144 Ca 0.14 0.00 -0.23 0.00 -0.28 0.00 0.00 59.70 59.34 1gwp h MET 144 Cb 0.14 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.94 1gwp h MET 144 CO -0.02 0.00 -1.13 -0.92 0.23 0.00 0.00 176.91 175.08 1gwp h TYR 145 N 0.00 0.40 -0.91 1.39 3.20 0.08 -3.36 116.97 117.76 1gwp h TYR 145 Ca 0.00 -0.29 0.13 0.00 3.14 0.00 0.00 58.73 61.71 1gwp h TYR 145 Cb 0.82 -0.02 -0.14 0.00 1.54 0.00 0.00 36.73 38.94 1gwp h TYR 145 CO 0.00 1.44 -0.40 0.43 -1.64 0.00 0.00 178.16 177.99 1gwp n SER 146 N -4.07 -0.67 -4.71 -2.11 7.64 0.20 -1.87 113.62 108.02 1gwp n SER 146 Ca -0.21 1.60 -0.42 0.00 1.01 0.00 0.00 58.87 60.85 1gwp n SER 146 Cb 0.83 -0.33 -0.03 0.00 -1.01 0.00 0.00 64.21 63.67 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1gwp s PRO 147 N -5.78 4.43 0.00 1.43 0.04 -1.26 -4.31 135.00 129.55 1gwp s PRO 147 Ca -0.12 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.63 1gwp s PRO 147 Cb 0.17 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.30 1gwp s PRO 147 CO 0.63 -0.28 0.00 2.41 0.04 0.00 0.00 177.00 179.80 1gwp n THR 148 N 4.08 0.00 -1.02 1.26 -1.04 -1.26 -4.82 114.28 111.48 1gwp n THR 148 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 1gwp n THR 148 Cb 0.47 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.98 1gwp n THR 148 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1gwp n SER 149 N 1.50 -5.99 -4.55 8.00 2.88 -0.78 -5.01 113.62 109.67 1gwp n SER 149 Ca 0.00 0.77 -0.32 0.00 -1.33 0.00 0.00 58.87 57.99 1gwp n SER 149 Cb 0.00 -2.51 -0.11 0.00 -0.75 0.00 0.00 64.21 60.84 1gwp n SER 149 CO 0.00 0.00 0.00 -0.51 -1.23 0.00 0.00 175.04 173.30 1gwp s ILE 150 N -2.18 3.39 0.00 2.46 1.10 -1.26 -5.11 121.20 119.60 1gwp s ILE 150 Ca 0.00 -0.93 0.00 0.00 -0.51 0.00 0.00 60.65 59.21 1gwp s ILE 150 Cb 0.00 -2.47 0.00 0.00 0.15 0.00 0.00 42.46 40.14 1gwp s ILE 150 CO 0.00 0.36 0.00 -0.11 -2.11 0.00 0.00 174.94 173.08