#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 3.80 0.20 0.52 1.01 -1.24 -1.46 121.20 124.03 1gwp s ILE 2 Ca 0.00 -1.62 -0.14 0.00 0.00 0.00 0.00 60.65 58.89 1gwp s ILE 2 Cb 0.00 -3.00 0.01 0.00 0.01 0.00 0.00 42.46 39.48 1gwp s ILE 2 CO 0.00 -0.28 0.44 0.68 0.00 0.00 0.00 174.94 175.78 1gwp s VAL 3 N -2.08 0.03 -0.30 2.92 -7.23 0.19 -4.96 120.40 108.97 1gwp s VAL 3 Ca 0.31 -1.12 -0.02 0.00 -1.81 0.00 0.00 61.98 59.33 1gwp s VAL 3 Cb -0.08 -1.81 0.05 0.00 0.56 0.00 0.00 36.38 35.10 1gwp s VAL 3 CO 0.21 -0.15 0.00 0.00 -0.31 0.00 0.00 175.10 174.86 1gwp s GLN 4 N -3.94 2.51 0.25 4.82 0.00 -1.26 -0.20 119.66 121.83 1gwp s GLN 4 Ca 0.15 -1.22 -0.30 0.00 -0.00 0.00 0.00 55.36 53.99 1gwp s GLN 4 Cb 0.00 -3.19 -0.09 0.00 0.00 0.00 0.00 33.01 29.73 1gwp s GLN 4 CO 0.01 -0.60 1.12 0.54 0.00 0.00 0.00 175.29 176.36 1gwp s ASN 5 N 1.28 7.23 0.35 12.60 2.20 -0.15 -4.89 114.94 133.55 1gwp s ASN 5 Ca -0.04 2.24 0.16 0.00 -0.94 0.00 0.00 52.86 54.28 1gwp s ASN 5 Cb -0.19 -2.62 1.17 0.00 -2.00 0.00 0.00 41.25 37.60 1gwp s ASN 5 CO -0.01 -0.20 1.63 0.25 -2.94 0.00 0.00 177.10 175.83 1gwp h LEU 6 N 4.27 0.42 -1.03 3.54 5.85 -1.99 0.65 115.31 127.03 1gwp h LEU 6 Ca -0.46 0.22 0.39 0.00 0.84 0.00 0.00 57.88 58.87 1gwp h LEU 6 Cb 1.21 0.19 -0.14 0.00 0.37 0.00 0.00 40.66 42.29 1gwp h LEU 6 CO 0.69 -0.25 0.61 0.00 -0.34 0.00 0.00 178.44 179.16 1gwp n GLN 7 N -5.13 -0.04 0.00 1.25 3.00 -1.26 -4.71 117.38 110.48 1gwp n GLN 7 Ca 0.34 1.17 0.00 0.00 -0.01 0.00 0.00 57.00 58.50 1gwp n GLN 7 Cb 1.08 -2.19 0.00 0.00 0.00 0.00 0.00 30.24 29.13 1gwp n GLN 7 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1gwp n GLY 8 N -1.33 0.74 3.60 1.08 0.00 0.23 -5.15 105.19 104.36 1gwp n GLY 8 Ca 0.34 -0.18 -0.12 0.00 0.00 0.00 0.00 46.02 46.07 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 0.15 0.69 -0.30 1.61 -0.21 -1.16 -5.01 119.66 115.43 1gwp s GLN 9 Ca 0.00 0.54 -0.20 0.00 0.02 0.00 0.00 55.36 55.72 1gwp s GLN 9 Cb 0.00 0.33 -0.01 0.00 1.00 0.00 0.00 33.01 34.33 1gwp s GLN 9 CO 0.00 -0.14 0.62 1.41 -2.12 0.00 0.00 175.29 175.06 1gwp s MET 10 N -0.25 3.90 0.19 2.91 -2.45 -1.26 -0.98 119.30 121.36 1gwp s MET 10 Ca -0.01 0.29 0.10 0.00 -1.25 0.00 0.00 55.69 54.82 1gwp s MET 10 Cb -0.03 -3.73 -0.04 0.00 1.25 0.00 0.00 34.83 32.28 1gwp s MET 10 CO -0.00 -0.56 -0.21 0.14 1.05 0.00 0.00 175.02 175.44 1gwp s VAL 11 N 2.59 2.10 0.17 10.11 -7.23 0.71 -4.93 120.40 123.92 1gwp s VAL 11 Ca 0.25 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 1gwp s VAL 11 Cb -0.15 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.75 1gwp s VAL 11 CO 0.12 -0.25 0.33 -1.38 -0.31 0.00 0.00 175.10 173.61 1gwp s HIS 12 N -1.95 3.49 -0.37 2.82 -3.43 -1.26 -0.64 115.29 113.94 1gwp s HIS 12 Ca 0.19 0.23 0.05 0.00 -0.80 0.00 0.00 55.06 54.73 1gwp s HIS 12 Cb -0.06 -1.76 0.45 0.00 -1.43 0.00 0.00 32.58 29.78 1gwp s HIS 12 CO 0.09 0.46 1.32 1.04 -2.00 0.00 0.00 174.74 175.65 1gwp n GLN 13 N -0.53 3.45 -0.18 -0.38 6.02 -0.54 -4.96 117.38 120.26 1gwp n GLN 13 Ca -0.06 -4.07 0.02 0.00 -0.01 0.00 0.00 57.00 52.89 1gwp n GLN 13 Cb 0.54 -2.28 -0.01 0.00 1.02 0.00 0.00 30.24 29.51 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gwp n ALA 14 N -0.71 -0.93 -1.57 -1.58 0.00 -1.26 -4.78 120.51 109.67 1gwp n ALA 14 Ca 0.46 0.06 -0.14 0.00 0.00 0.00 0.00 53.44 53.82 1gwp n ALA 14 Cb 0.88 -0.28 0.13 0.00 0.00 0.00 0.00 19.45 20.18 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 -1.07 0.00 -4.45 0.00 3.06 -1.26 -4.12 119.36 111.52 1gwp n ILE 15 Ca 0.00 -0.61 -0.23 0.00 -2.50 0.00 0.00 62.75 59.41 1gwp n ILE 15 Cb 0.08 -1.68 -0.13 0.00 0.54 0.00 0.00 39.64 38.45 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 -4.07 2.21 0.11 9.51 0.15 -1.26 -5.03 113.70 115.32 1gwp s SER 16 Ca 0.48 -0.55 -0.09 0.00 0.70 0.00 0.00 55.95 56.49 1gwp s SER 16 Cb -0.01 -0.15 -0.13 0.00 -1.71 0.00 0.00 66.02 64.02 1gwp s SER 16 CO 0.34 0.09 1.29 1.55 1.20 0.00 0.00 173.24 177.70 1gwp h PRO 17 N 4.67 0.58 -0.09 5.44 0.13 -1.98 -1.60 132.00 139.15 1gwp h PRO 17 Ca -0.42 -0.57 -0.09 0.00 -0.87 0.00 0.00 66.00 64.05 1gwp h PRO 17 Cb 1.17 0.15 -0.01 0.00 0.13 0.00 0.00 31.00 32.44 1gwp h PRO 17 CO 0.43 1.19 -0.36 -0.09 -0.23 0.00 0.00 178.00 178.93 1gwp h ARG 18 N 0.35 0.18 -0.01 0.86 2.43 -1.98 0.31 114.38 116.53 1gwp h ARG 18 Ca -0.08 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 58.98 1gwp h ARG 18 Cb 1.54 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.09 1gwp h ARG 18 CO 0.17 0.52 -0.12 1.15 -1.51 0.00 0.00 179.97 180.19 1gwp h THR 19 N 0.15 1.56 -0.66 0.20 2.02 -1.97 -1.33 112.91 112.88 1gwp h THR 19 Ca 0.02 -1.82 -0.06 0.00 0.77 0.00 0.00 66.41 65.31 1gwp h THR 19 Cb 0.72 2.75 -0.03 0.00 -1.74 0.00 0.00 68.15 69.85 1gwp h THR 19 CO 0.05 0.49 0.17 -0.07 0.37 0.00 0.00 175.52 176.53 1gwp h LEU 20 N -0.61 1.00 0.35 2.58 3.38 -1.22 0.23 115.31 121.02 1gwp h LEU 20 Ca -0.01 -0.23 -0.02 0.00 0.09 0.00 0.00 57.88 57.71 1gwp h LEU 20 Cb 0.86 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.35 1gwp h LEU 20 CO 0.02 0.96 -0.17 -1.13 0.09 0.00 0.00 178.44 178.22 1gwp h ASN 21 N 0.98 -0.40 -0.61 -0.43 -1.24 -0.44 0.34 115.58 113.79 1gwp h ASN 21 Ca 0.21 -0.02 0.04 0.00 0.71 0.00 0.00 56.30 57.24 1gwp h ASN 21 Cb 0.35 0.10 -0.05 0.00 0.73 0.00 0.00 38.32 39.46 1gwp h ASN 21 CO 0.00 -0.25 0.35 0.00 -1.29 0.00 0.00 177.43 176.24 1gwp h ALA 22 N 0.12 0.79 0.35 1.57 0.00 -1.08 0.51 119.26 121.52 1gwp h ALA 22 Ca -0.05 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1gwp h ALA 22 Cb 0.39 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1gwp h ALA 22 CO 0.08 0.05 -0.28 2.35 0.00 0.00 0.00 179.25 181.45 1gwp h TRP 23 N 0.67 -0.76 -0.98 0.00 2.91 -0.22 0.59 115.95 118.15 1gwp h TRP 23 Ca 0.26 -0.00 0.33 0.00 1.13 0.00 0.00 58.89 60.61 1gwp h TRP 23 Cb 0.10 0.29 -0.16 0.00 -0.51 0.00 0.00 29.16 28.88 1gwp h TRP 23 CO -0.07 -0.39 0.48 0.28 -1.03 0.00 0.00 178.44 177.71 1gwp h VAL 24 N -0.61 0.21 -0.57 2.65 2.07 -0.06 1.89 116.25 121.83 1gwp h VAL 24 Ca -0.05 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1gwp h VAL 24 Cb 0.51 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 1gwp h VAL 24 CO 0.01 0.04 0.08 0.11 0.02 0.00 0.00 177.57 177.82 1gwp h LYS 25 N 0.21 0.96 -0.55 1.57 1.57 0.07 0.41 116.57 120.80 1gwp h LYS 25 Ca 0.73 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 59.22 1gwp h LYS 25 Cb 1.70 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 33.88 1gwp h LYS 25 CO -0.67 0.92 0.27 0.28 -0.57 0.00 0.00 179.45 179.68 1gwp h VAL 26 N 0.86 1.20 -0.50 0.50 2.07 0.83 0.62 116.25 121.82 1gwp h VAL 26 Ca 0.17 -0.55 -0.12 0.00 0.82 0.00 0.00 66.70 67.02 1gwp h VAL 26 Cb 0.44 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1gwp h VAL 26 CO 0.01 0.22 -0.16 0.58 0.02 0.00 0.00 177.57 178.25 1gwp h VAL 27 N 0.74 1.27 -0.30 2.57 2.07 0.02 0.66 116.25 123.28 1gwp h VAL 27 Ca 0.19 -1.31 -0.03 0.00 0.82 0.00 0.00 66.70 66.38 1gwp h VAL 27 Cb 0.10 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.90 1gwp h VAL 27 CO -0.03 0.46 0.07 -0.08 0.02 0.00 0.00 177.57 178.01 1gwp h GLU 28 N 0.86 0.43 0.11 1.57 4.22 0.33 1.70 114.58 123.80 1gwp h GLU 28 Ca 0.13 -0.06 -0.31 0.00 0.08 0.00 0.00 59.36 59.19 1gwp h GLU 28 Cb 0.72 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.88 1gwp h GLU 28 CO 0.06 0.40 -1.58 1.49 -2.18 0.00 0.00 179.01 177.20 1gwp h GLU 29 N 0.43 0.23 0.00 1.92 4.81 -0.48 -3.43 114.58 118.05 1gwp h GLU 29 Ca 0.10 -0.40 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1gwp h GLU 29 Cb 0.17 0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.69 1gwp h GLU 29 CO -0.00 1.08 0.00 1.63 -0.73 0.00 0.00 179.01 180.99 1gwp n LYS 30 N -3.43 0.00 -0.89 1.92 5.02 0.23 -5.09 118.16 115.92 1gwp n LYS 30 Ca -0.18 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.11 1gwp n LYS 30 Cb 1.04 -0.13 0.00 0.00 -0.02 0.00 0.00 35.03 35.92 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1gwp n ALA 31 N -1.75 -1.38 -3.38 7.82 0.00 0.58 -4.66 120.51 117.73 1gwp n ALA 31 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1gwp n ALA 31 Cb 0.00 0.00 0.06 0.00 0.00 0.00 0.00 19.45 19.51 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 -0.43 -2.29 -3.36 0.00 3.01 -1.26 -5.02 117.46 108.11 1gwp n PHE 32 Ca 0.00 0.79 -0.20 0.00 1.01 0.00 0.00 57.45 59.04 1gwp n PHE 32 Cb 0.13 -4.11 0.00 0.00 -0.01 0.00 0.00 39.48 35.49 1gwp n PHE 32 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1gwp s SER 33 N -3.57 5.17 0.00 4.37 0.15 -1.26 -4.86 113.70 113.69 1gwp s SER 33 Ca 0.38 -0.74 0.24 0.00 0.70 0.00 0.00 55.95 56.53 1gwp s SER 33 Cb -0.07 -0.30 1.38 0.00 -1.71 0.00 0.00 66.02 65.31 1gwp s SER 33 CO 0.77 -0.87 1.78 -0.81 1.20 0.00 0.00 173.24 175.31 1gwp n PRO 34 N -1.79 0.67 -0.13 5.44 -0.04 -1.26 -2.04 135.00 135.85 1gwp n PRO 34 Ca 0.06 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.58 1gwp n PRO 34 Cb 0.61 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.68 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 -1.05 2.85 -0.02 0.54 1.02 -1.26 -4.43 120.64 118.29 1gwp n GLU 35 Ca 0.17 -1.95 0.03 0.00 -0.02 0.00 0.00 57.16 55.38 1gwp n GLU 35 Cb 0.10 -1.24 -0.08 0.00 -0.02 0.00 0.00 31.44 30.20 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 1.18 0.00 0.00 177.13 179.86 1gwp n VAL 36 N 0.02 0.16 -0.26 2.62 3.14 -0.87 -4.10 118.33 119.04 1gwp n VAL 36 Ca 0.09 -0.28 -0.06 0.00 -2.96 0.00 0.00 64.34 61.12 1gwp n VAL 36 Cb 0.41 0.02 0.05 0.00 -1.06 0.00 0.00 33.84 33.26 1gwp n VAL 36 CO 0.00 0.00 0.00 0.40 -6.46 0.00 0.00 176.83 170.77 1gwp h ILE 37 N 0.00 1.25 -0.05 1.55 2.04 -1.77 0.18 117.51 120.71 1gwp h ILE 37 Ca -0.06 -0.80 -0.23 0.00 1.00 0.00 0.00 64.86 64.77 1gwp h ILE 37 Cb 0.75 0.41 0.01 0.00 -0.74 0.00 0.00 36.82 37.25 1gwp h ILE 37 CO 0.00 0.32 -0.90 1.55 0.00 0.00 0.00 178.15 179.12 1gwp h PRO 38 N 1.05 0.59 -0.31 2.37 0.13 -1.82 -1.71 132.00 132.30 1gwp h PRO 38 Ca 0.24 -0.58 -0.08 0.00 -0.87 0.00 0.00 66.00 64.72 1gwp h PRO 38 Cb 0.22 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1gwp h PRO 38 CO -0.02 1.19 -0.14 0.52 -0.23 0.00 0.00 178.00 179.32 1gwp h MET 39 N 0.36 0.55 -0.02 0.86 2.86 -1.65 -1.38 114.93 116.51 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 -0.05 0.01 0.00 0.06 0.00 0.00 31.60 33.15 1gwp h MET 39 CO 0.17 0.68 -0.62 0.35 1.06 0.00 0.00 176.91 178.54 1gwp h PHE 40 N 0.50 0.67 -0.92 -0.22 3.57 -0.65 -0.49 116.94 119.41 1gwp h PHE 40 Ca 0.09 -0.35 0.02 0.00 3.53 0.00 0.00 57.97 61.26 1gwp h PHE 40 Cb 0.54 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.15 1gwp h PHE 40 CO 0.02 1.16 0.60 1.03 -2.23 0.00 0.00 178.31 178.89 1gwp h SER 41 N -0.01 1.02 -0.17 0.41 0.87 -1.19 0.16 113.55 114.65 1gwp h SER 41 Ca -0.07 -0.02 -0.15 0.00 -1.23 0.00 0.00 61.79 60.32 1gwp h SER 41 Cb 1.32 -0.24 0.00 0.00 -0.44 0.00 0.00 62.40 63.04 1gwp h SER 41 CO 0.12 0.72 -0.48 0.00 -0.53 0.00 0.00 176.83 176.66 1gwp h ALA 42 N 1.36 0.28 -0.39 6.23 0.00 -1.29 -2.64 119.26 122.82 1gwp h ALA 42 Ca 0.35 -0.49 0.05 0.00 0.00 0.00 0.00 54.91 54.82 1gwp h ALA 42 Cb -0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1gwp h ALA 42 CO -0.10 0.45 0.26 -0.07 0.00 0.00 0.00 179.25 179.79 1gwp h LEU 43 N 0.29 0.27 -3.88 0.00 3.38 -0.47 0.11 115.31 115.02 1gwp h LEU 43 Ca -0.01 -0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.38 1gwp h LEU 43 Cb 1.10 -0.06 -0.30 0.00 0.09 0.00 0.00 40.66 41.49 1gwp h LEU 43 CO 0.10 0.18 0.41 -0.24 0.09 0.00 0.00 178.44 178.99 1gwp n SER 44 N -4.48 5.95 -0.28 -0.43 2.88 0.51 -4.71 113.62 113.07 1gwp n SER 44 Ca 0.05 -3.75 0.09 0.00 -1.33 0.00 0.00 58.87 53.92 1gwp n SER 44 Cb 0.23 -0.80 0.23 0.00 -0.75 0.00 0.00 64.21 63.12 1gwp n SER 44 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1gwp h GLU 45 N 1.76 0.23 -0.48 -1.46 4.39 -0.60 -3.28 114.58 115.14 1gwp h GLU 45 Ca 0.53 -0.01 -0.29 0.00 0.34 0.00 0.00 59.36 59.92 1gwp h GLU 45 Cb 1.38 -0.05 -0.22 0.00 -0.10 0.00 0.00 28.75 29.75 1gwp h GLU 45 CO 1.23 0.15 -0.64 0.41 -1.16 0.00 0.00 179.01 179.00 1gwp n GLY 46 N -1.37 1.45 3.95 -3.84 0.00 -1.26 -4.54 105.19 99.59 1gwp n GLY 46 Ca 0.18 -0.48 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.64 3.70 0.57 4.61 0.00 -1.24 -3.67 121.76 125.08 1gwp s ALA 47 Ca 0.26 -1.07 -0.01 0.00 0.00 0.00 0.00 51.96 51.14 1gwp s ALA 47 Cb 0.35 -2.22 0.03 0.00 0.00 0.00 0.00 23.12 21.29 1gwp s ALA 47 CO -0.06 -0.60 0.21 0.25 0.00 0.00 0.00 175.76 175.56 1gwp n THR 48 N -2.28 0.00 0.07 0.00 -2.24 -1.26 -4.60 114.28 103.97 1gwp n THR 48 Ca 0.04 -0.28 -0.10 0.00 -2.27 0.00 0.00 64.05 61.44 1gwp n THR 48 Cb 0.58 -1.42 0.00 0.00 -2.10 0.00 0.00 70.33 67.40 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 0.33 -0.00 -0.78 0.13 -1.94 -1.65 132.00 128.08 1gwp h PRO 49 Ca -0.07 -0.32 -0.20 0.00 -0.87 0.00 0.00 66.00 64.54 1gwp h PRO 49 Cb 0.24 0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 1gwp h PRO 49 CO 0.07 0.99 -0.87 0.37 -0.23 0.00 0.00 178.00 178.33 1gwp h GLN 50 N 0.20 0.21 0.45 0.86 -0.00 -1.97 -0.67 115.11 114.20 1gwp h GLN 50 Ca -0.05 -0.23 -0.02 0.00 -0.00 0.00 0.00 58.65 58.35 1gwp h GLN 50 Cb 1.44 0.06 0.00 0.00 0.00 0.00 0.00 27.48 28.99 1gwp h GLN 50 CO 0.14 0.95 -0.22 0.22 0.00 0.00 0.00 178.83 179.93 1gwp h ASP 51 N 0.12 -0.51 -0.61 -0.69 1.82 -1.93 -0.30 116.42 114.32 1gwp h ASP 51 Ca -0.04 -0.04 0.05 0.00 -0.39 0.00 0.00 57.03 56.61 1gwp h ASP 51 Cb 1.49 0.13 -0.05 0.00 0.68 0.00 0.00 39.33 41.58 1gwp h ASP 51 CO 0.13 -0.09 0.33 -0.07 -1.61 0.00 0.00 179.24 177.93 1gwp h LEU 52 N -1.10 0.48 -0.73 2.28 3.38 -1.40 0.38 115.31 118.61 1gwp h LEU 52 Ca -0.06 0.03 0.06 0.00 0.09 0.00 0.00 57.88 58.00 1gwp h LEU 52 Cb 0.53 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.16 1gwp h LEU 52 CO 0.10 0.31 0.42 -1.13 0.09 0.00 0.00 178.44 178.24 1gwp h ASN 53 N 0.61 0.63 -0.47 -0.43 -1.24 -1.15 0.98 115.58 114.50 1gwp h ASN 53 Ca 0.27 0.03 -0.01 0.00 0.71 0.00 0.00 56.30 57.30 1gwp h ASN 53 Cb 0.17 -0.10 -0.02 0.00 0.73 0.00 0.00 38.32 39.10 1gwp h ASN 53 CO -0.17 0.40 0.25 0.74 -1.29 0.00 0.00 177.43 177.36 1gwp h THR 54 N 0.77 1.17 -0.01 -3.57 2.02 0.37 0.17 112.91 113.82 1gwp h THR 54 Ca 0.32 -0.44 -0.04 0.00 0.77 0.00 0.00 66.41 67.02 1gwp h THR 54 Cb 0.19 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1gwp h THR 54 CO -0.18 0.18 -0.17 -0.03 0.37 0.00 0.00 175.52 175.69 1gwp h MET 55 N 0.62 0.02 -0.01 6.66 4.05 0.02 0.46 114.93 126.75 1gwp h MET 55 Ca 0.17 -0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.48 1gwp h MET 55 Cb 0.06 -0.00 0.01 0.00 -0.80 0.00 0.00 31.60 30.87 1gwp h MET 55 CO -0.03 0.19 -0.41 -0.07 0.23 0.00 0.00 176.91 176.82 1gwp h LEU 56 N 0.02 0.37 -0.98 3.39 4.07 -0.11 -3.02 115.31 119.05 1gwp h LEU 56 Ca 0.00 -0.76 0.00 0.00 0.08 0.00 0.00 57.88 57.20 1gwp h LEU 56 Cb 0.31 -0.11 0.00 0.00 1.08 0.00 0.00 40.66 41.94 1gwp h LEU 56 CO 0.02 1.09 0.00 -1.13 -1.08 0.00 0.00 178.44 177.34 1gwp h ASN 57 N -0.30 0.00 0.65 -0.43 -1.24 -0.32 -2.42 115.58 111.52 1gwp h ASN 57 Ca -0.05 0.00 -0.14 0.00 0.71 0.00 0.00 56.30 56.81 1gwp h ASN 57 Cb 1.15 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 40.18 1gwp h ASN 57 CO 0.08 0.00 -0.68 0.74 -1.29 0.00 0.00 177.43 176.28 1gwp h THR 58 N 0.00 1.48 -1.68 -3.57 2.02 -0.01 -3.46 112.91 107.70 1gwp h THR 58 Ca 0.00 -2.31 -0.50 0.00 0.77 0.00 0.00 66.41 64.37 1gwp h THR 58 Cb 0.49 2.24 0.25 0.00 -1.74 0.00 0.00 68.15 69.39 1gwp h THR 58 CO 0.00 0.66 -2.05 0.55 0.37 0.00 0.00 175.52 175.05 1gwp n VAL 59 N -3.74 0.00 0.00 3.16 3.14 -0.91 -4.87 118.33 115.10 1gwp n VAL 59 Ca -0.01 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.18 1gwp n VAL 59 Cb 0.67 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 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 3.06 -3.40 0.00 7.55 0.00 -1.26 -4.89 105.19 106.24 1gwp n GLY 60 Ca -0.01 0.50 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 -0.83 -0.91 3.40 -0.02 0.00 -1.26 -5.12 105.19 100.45 1gwp n GLY 61 Ca 0.00 0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.89 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 0.00 3.11 0.39 1.61 3.76 -1.26 -4.91 115.29 117.99 1gwp s HIS 62 Ca 0.00 -0.83 0.09 0.00 -0.15 0.00 0.00 55.06 54.16 1gwp s HIS 62 Cb 0.00 -3.59 0.84 0.00 1.11 0.00 0.00 32.58 30.94 1gwp s HIS 62 CO 0.00 -1.03 1.97 1.96 -0.85 0.00 0.00 174.74 176.78 1gwp h GLN 63 N 8.97 0.62 0.00 1.40 4.20 -2.00 0.16 115.11 128.46 1gwp h GLN 63 Ca -0.29 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.39 1gwp h GLN 63 Cb 1.10 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.74 1gwp h GLN 63 CO 0.99 0.41 -0.00 0.00 -0.67 0.00 0.00 178.83 179.55 1gwp h ALA 64 N 1.64 -0.00 0.14 3.87 0.00 -1.98 0.20 119.26 123.13 1gwp h ALA 64 Ca 0.30 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 55.02 1gwp h ALA 64 Cb 0.35 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 1gwp h ALA 64 CO -0.10 -0.29 -0.27 0.00 0.00 0.00 0.00 179.25 178.59 1gwp h ALA 65 N 0.58 -0.47 -0.30 0.00 0.00 -1.74 -1.04 119.26 116.28 1gwp h ALA 65 Ca -0.00 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 1gwp h ALA 65 Cb 0.42 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1gwp h ALA 65 CO 0.00 -0.81 0.17 0.52 0.00 0.00 0.00 179.25 179.13 1gwp h MET 66 N -0.49 0.41 0.42 0.00 2.07 -0.73 -0.94 114.93 115.66 1gwp h MET 66 Ca 0.03 -0.03 -0.01 0.00 -2.07 0.00 0.00 59.70 57.61 1gwp h MET 66 Cb 0.51 -0.09 -0.01 0.00 -1.87 0.00 0.00 31.60 30.14 1gwp h MET 66 CO -0.14 0.29 -0.29 1.96 1.07 0.00 0.00 176.91 179.80 1gwp h GLN 67 N 0.41 -0.67 -0.15 1.72 4.20 0.62 -0.63 115.11 120.61 1gwp h GLN 67 Ca 0.11 0.05 -0.05 0.00 0.06 0.00 0.00 58.65 58.81 1gwp h GLN 67 Cb 0.00 0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 1gwp h GLN 67 CO -0.02 -0.45 -0.15 0.52 -0.67 0.00 0.00 178.83 178.07 1gwp h MET 68 N -0.69 0.24 -0.55 1.46 2.86 -0.92 -1.41 114.93 115.92 1gwp h MET 68 Ca -0.04 -0.06 0.01 0.00 -2.06 0.00 0.00 59.70 57.55 1gwp h MET 68 Cb 0.59 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 32.19 1gwp h MET 68 CO 0.02 0.40 0.37 1.25 1.06 0.00 0.00 176.91 180.00 1gwp h LEU 69 N 0.23 0.63 -0.10 1.22 7.12 -0.66 0.23 115.31 123.99 1gwp h LEU 69 Ca 0.05 -0.02 -0.02 0.00 0.13 0.00 0.00 57.88 58.02 1gwp h LEU 69 Cb 0.40 -0.16 -0.00 0.00 -0.53 0.00 0.00 40.66 40.37 1gwp h LEU 69 CO 0.02 0.46 -0.03 0.11 -0.13 0.00 0.00 178.44 178.87 1gwp h LYS 70 N 0.75 0.19 -0.52 1.25 1.57 -0.67 -1.64 116.57 117.51 1gwp h LYS 70 Ca 0.20 -0.08 0.09 0.00 -1.87 0.00 0.00 60.65 59.00 1gwp h LYS 70 Cb -0.09 -0.01 -0.08 0.00 0.08 0.00 0.00 32.23 32.14 1gwp h LYS 70 CO -0.04 0.52 0.08 0.93 -0.57 0.00 0.00 179.45 180.37 1gwp h GLU 71 N -0.15 0.20 0.88 3.15 5.08 -0.92 0.53 114.58 123.35 1gwp h GLU 71 Ca 0.02 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.33 1gwp h GLU 71 Cb 0.46 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.67 1gwp h GLU 71 CO 0.01 0.13 -0.47 1.15 -1.00 0.00 0.00 179.01 178.84 1gwp h THR 72 N 0.20 0.06 -0.71 1.13 2.02 -0.48 0.15 112.91 115.28 1gwp h THR 72 Ca 0.26 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.57 1gwp h THR 72 Cb 0.37 0.06 -0.13 0.00 -1.74 0.00 0.00 68.15 66.71 1gwp h THR 72 CO -0.37 0.00 -0.31 0.40 0.37 0.00 0.00 175.52 175.61 1gwp h ILE 73 N -1.24 0.15 -0.65 3.11 1.08 -0.87 1.55 117.51 120.63 1gwp h ILE 73 Ca -0.12 0.00 0.10 0.00 -0.39 0.00 0.00 64.86 64.45 1gwp h ILE 73 Cb 0.97 0.15 -0.04 0.00 -3.07 0.00 0.00 36.82 34.83 1gwp h ILE 73 CO 0.17 0.00 0.44 -1.13 -0.69 0.00 0.00 178.15 176.93 1gwp h ASN 74 N -0.10 0.44 0.73 1.72 -0.73 -0.70 -1.67 115.58 115.27 1gwp h ASN 74 Ca 0.28 0.01 -0.04 0.00 1.87 0.00 0.00 56.30 58.43 1gwp h ASN 74 Cb 0.56 -0.08 0.01 0.00 0.27 0.00 0.00 38.32 39.08 1gwp h ASN 74 CO -0.76 0.26 -0.35 -0.08 -0.37 0.00 0.00 177.43 176.13 1gwp h GLU 75 N 0.49 -0.95 -0.80 6.67 4.22 0.42 -1.14 114.58 123.50 1gwp h GLU 75 Ca 0.30 0.06 0.18 0.00 0.08 0.00 0.00 59.36 59.99 1gwp h GLU 75 Cb 0.53 0.21 -0.12 0.00 0.50 0.00 0.00 28.75 29.88 1gwp h GLU 75 CO -0.09 -0.61 0.25 0.93 -2.18 0.00 0.00 179.01 177.31 1gwp h GLU 76 N -1.10 0.31 -0.28 1.92 3.07 -0.28 0.22 114.58 118.44 1gwp h GLU 76 Ca -0.10 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.77 1gwp h GLU 76 Cb 0.77 -0.07 -0.03 0.00 -0.84 0.00 0.00 28.75 28.59 1gwp h GLU 76 CO 0.16 0.20 0.10 0.00 -1.40 0.00 0.00 179.01 178.07 1gwp h ALA 77 N 1.65 0.31 -0.48 3.43 0.00 -1.16 0.13 119.26 123.15 1gwp h ALA 77 Ca 0.47 0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.50 1gwp h ALA 77 Cb 0.83 0.01 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1gwp h ALA 77 CO -0.52 -0.31 0.02 0.00 0.00 0.00 0.00 179.25 178.44 1gwp h ALA 78 N 1.17 0.47 -0.22 0.00 0.00 0.67 0.28 119.26 121.64 1gwp h ALA 78 Ca 0.12 0.13 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1gwp h ALA 78 Cb 0.09 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1gwp h ALA 78 CO -0.12 -0.37 0.10 0.93 0.00 0.00 0.00 179.25 179.79 1gwp h GLU 79 N 0.14 0.29 -0.62 0.00 4.39 -0.38 0.47 114.58 118.87 1gwp h GLU 79 Ca 0.24 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.88 1gwp h GLU 79 Cb 0.35 -0.06 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 1gwp h GLU 79 CO -0.38 0.23 0.25 2.35 -1.16 0.00 0.00 179.01 180.30 1gwp h TRP 80 N 0.30 0.94 -0.10 4.33 2.91 0.15 0.46 115.95 124.94 1gwp h TRP 80 Ca 0.08 -0.07 -0.11 0.00 1.13 0.00 0.00 58.89 59.92 1gwp h TRP 80 Cb 0.03 -0.28 0.00 0.00 -0.51 0.00 0.00 29.16 28.41 1gwp h TRP 80 CO 0.00 0.75 -0.38 0.22 -1.03 0.00 0.00 178.44 178.00 1gwp h ASP 81 N 0.87 0.50 -0.41 2.65 3.58 0.22 -0.67 116.42 123.15 1gwp h ASP 81 Ca 0.21 -0.63 0.05 0.00 0.42 0.00 0.00 57.03 57.08 1gwp h ASP 81 Cb 0.20 -0.15 -0.04 0.00 1.72 0.00 0.00 39.33 41.06 1gwp h ASP 81 CO -0.02 1.04 0.15 0.03 -2.88 0.00 0.00 179.24 177.57 1gwp h ARG 82 N -0.02 0.31 0.00 0.28 3.08 0.14 -1.44 114.38 116.72 1gwp h ARG 82 Ca -0.02 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1gwp h ARG 82 Cb 1.01 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.99 1gwp h ARG 82 CO 0.08 0.21 0.00 1.28 -1.07 0.00 0.00 179.97 180.46 1gwp n LEU 83 N -5.00 1.49 -3.99 3.04 4.77 0.16 -4.66 117.00 112.80 1gwp n LEU 83 Ca 0.02 0.22 -0.32 0.00 -0.03 0.00 0.00 56.01 55.91 1gwp n LEU 83 Cb 0.14 0.00 -0.12 0.00 -2.33 0.00 0.00 43.42 41.11 1gwp n LEU 83 CO 0.27 0.00 -0.09 -1.38 -1.33 0.00 0.00 177.39 174.86 1gwp s HIS 84 N -0.45 3.29 0.00 -1.77 -3.43 -0.26 -5.07 115.29 107.60 1gwp s HIS 84 Ca 0.00 -3.06 0.00 0.00 -0.80 0.00 0.00 55.06 51.20 1gwp s HIS 84 Cb 0.00 -2.93 0.00 0.00 -1.43 0.00 0.00 32.58 28.22 1gwp s HIS 84 CO 0.00 -0.75 0.00 -0.35 -2.00 0.00 0.00 174.74 171.64 1gwp n PRO 85 N 3.09 0.05 -3.49 -0.38 -0.04 -0.54 -4.40 135.00 129.28 1gwp n PRO 85 Ca 0.07 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.43 1gwp n PRO 85 Cb 0.34 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.77 1gwp n PRO 85 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp s VAL 86 N -0.63 0.00 -0.30 0.52 0.11 -1.26 -4.94 120.40 113.90 1gwp s VAL 86 Ca 0.00 0.00 -0.02 0.00 -2.93 0.00 0.00 61.98 59.03 1gwp s VAL 86 Cb 0.00 -1.00 0.18 0.00 -1.53 0.00 0.00 36.38 34.03 1gwp s VAL 86 CO 0.00 0.00 0.62 -1.38 -3.33 0.00 0.00 175.10 171.01 1gwp s HIS 87 N -2.97 -1.55 0.34 1.54 -3.43 -1.26 -4.89 115.29 103.06 1gwp s HIS 87 Ca 0.02 1.73 0.03 0.00 -0.80 0.00 0.00 55.06 56.05 1gwp s HIS 87 Cb -0.01 0.58 -0.05 0.00 -1.43 0.00 0.00 32.58 31.67 1gwp s HIS 87 CO -0.08 -0.84 0.09 0.00 -2.00 0.00 0.00 174.74 171.90 1gwp s ALA 88 N 2.86 2.40 0.01 -1.38 0.00 -1.26 -5.17 121.76 119.22 1gwp s ALA 88 Ca 0.18 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.36 1gwp s ALA 88 Cb -0.15 0.76 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1gwp s ALA 88 CO -0.21 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.62 1gwp n GLY 89 N -0.71 1.89 3.72 0.00 0.00 -1.26 -5.05 105.19 103.79 1gwp n GLY 89 Ca -0.03 -1.78 -0.42 0.00 0.00 0.00 0.00 46.02 43.80 1gwp n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1gwp s PRO 90 N 4.66 4.49 -0.09 1.61 0.04 -1.26 -5.03 135.00 139.41 1gwp s PRO 90 Ca 0.00 1.73 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1gwp s PRO 90 Cb 0.00 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.18 1gwp s PRO 90 CO 0.00 -0.13 -0.07 -1.50 0.04 0.00 0.00 177.00 175.34 1gwp s ILE 91 N 0.61 3.70 0.69 0.56 2.07 -1.26 -5.08 121.20 122.48 1gwp s ILE 91 Ca 0.55 -0.46 -0.17 0.00 -1.41 0.00 0.00 60.65 59.15 1gwp s ILE 91 Cb -0.29 -2.54 -0.11 0.00 0.13 0.00 0.00 42.46 39.65 1gwp s ILE 91 CO 0.31 0.57 -0.07 0.00 -1.91 0.00 0.00 174.94 173.84 1gwp n ALA 92 N 2.66 -3.11 -2.32 1.50 0.00 -1.26 -4.72 120.51 113.25 1gwp n ALA 92 Ca -0.18 -0.25 -0.35 0.00 0.00 0.00 0.00 53.44 52.66 1gwp n ALA 92 Cb 0.53 -1.49 -0.04 0.00 0.00 0.00 0.00 19.45 18.45 1gwp n ALA 92 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1gwp s PRO 93 N -1.80 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 133.27 1gwp s PRO 93 Ca 0.56 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1gwp s PRO 93 Cb -0.38 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.87 1gwp s PRO 93 CO 0.67 -2.91 0.00 0.41 0.04 0.00 0.00 177.00 175.21 1gwp n GLY 94 N 6.33 0.20 3.90 0.56 0.00 -1.26 -5.14 105.19 109.79 1gwp n GLY 94 Ca 0.41 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.14 1gwp n GLY 94 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gwp s GLN 95 N 0.00 1.98 -0.13 1.61 -1.52 -0.79 -5.07 119.66 115.75 1gwp s GLN 95 Ca 0.00 0.08 -0.04 0.00 -1.95 0.00 0.00 55.36 53.45 1gwp s GLN 95 Cb 0.00 -1.97 -0.03 0.00 -0.22 0.00 0.00 33.01 30.79 1gwp s GLN 95 CO 0.00 -1.57 -0.01 1.41 -0.25 0.00 0.00 175.29 174.88 1gwp s MET 96 N -5.55 3.44 0.55 2.91 -2.45 -1.26 -4.92 119.30 112.02 1gwp s MET 96 Ca 0.62 -0.44 0.04 0.00 -1.25 0.00 0.00 55.69 54.65 1gwp s MET 96 Cb -0.11 -2.91 0.03 0.00 1.25 0.00 0.00 34.83 33.09 1gwp s MET 96 CO 0.49 0.44 0.30 0.50 1.05 0.00 0.00 175.02 177.79 1gwp s ARG 97 N -0.16 2.23 -0.45 4.11 3.52 -1.26 -5.06 118.95 121.88 1gwp s ARG 97 Ca 0.04 -2.18 0.08 0.00 -0.13 0.00 0.00 55.73 53.54 1gwp s ARG 97 Cb -0.13 -1.91 0.27 0.00 -1.56 0.00 0.00 34.95 31.62 1gwp s ARG 97 CO 0.02 -0.60 0.64 0.39 -0.81 0.00 0.00 175.30 174.94 1gwp n GLU 98 N -1.67 1.34 -0.71 5.12 1.02 -1.26 -5.04 120.64 119.45 1gwp n GLU 98 Ca -0.08 -3.69 -0.14 0.00 -0.02 0.00 0.00 57.16 53.23 1gwp n GLU 98 Cb 0.65 -1.60 0.11 0.00 -0.02 0.00 0.00 31.44 30.58 1gwp n GLU 98 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1gwp n PRO 99 N 0.97 -1.31 0.00 3.49 -0.04 -1.26 -4.81 135.00 132.04 1gwp n PRO 99 Ca 0.24 -0.91 0.00 0.00 -0.04 0.00 0.00 63.50 62.79 1gwp n PRO 99 Cb 0.52 -0.72 0.00 0.00 -0.04 0.00 0.00 33.50 33.26 1gwp n PRO 99 CO 0.00 0.00 0.00 2.89 -0.04 0.00 0.00 175.50 178.35 1gwp n ARG 100 N -2.72 1.69 -0.20 0.54 1.85 -1.26 -4.74 116.66 111.83 1gwp n ARG 100 Ca 0.08 0.00 0.16 0.00 -1.00 0.00 0.00 57.85 57.09 1gwp n ARG 100 Cb 0.28 0.00 0.50 0.00 -1.05 0.00 0.00 32.46 32.18 1gwp n ARG 100 CO 0.00 0.00 0.00 0.78 -0.01 0.00 0.00 177.63 178.40 1gwp h GLY 101 N 0.00 0.80 -1.81 2.89 0.00 -1.87 -0.63 103.07 102.45 1gwp h GLY 101 Ca 0.00 -0.19 0.52 0.00 0.00 0.00 0.00 47.33 47.66 1gwp h GLY 101 CO 0.00 0.04 1.37 1.44 0.00 0.00 0.00 176.54 179.40 1gwp n SER 102 N -4.49 0.00 0.09 0.19 7.64 -1.26 0.22 113.62 116.00 1gwp n SER 102 Ca 0.16 0.94 -0.13 0.00 1.01 0.00 0.00 58.87 60.85 1gwp n SER 102 Cb 0.58 -0.45 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 1gwp n SER 102 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1gwp h ASP 103 N 0.00 -0.17 1.21 6.43 3.58 -1.40 -0.29 116.42 125.78 1gwp h ASP 103 Ca 0.86 -0.19 -0.04 0.00 0.42 0.00 0.00 57.03 58.08 1gwp h ASP 103 Cb 3.59 0.04 -0.01 0.00 1.72 0.00 0.00 39.33 44.68 1gwp h ASP 103 CO -0.01 0.10 -0.17 0.40 -2.88 0.00 0.00 179.24 176.68 1gwp h ILE 104 N -0.45 0.37 0.00 2.25 2.04 0.25 -2.48 117.51 119.49 1gwp h ILE 104 Ca -0.02 -1.11 -0.04 0.00 1.00 0.00 0.00 64.86 64.69 1gwp h ILE 104 Cb 0.35 1.84 -0.01 0.00 -0.74 0.00 0.00 36.82 38.26 1gwp h ILE 104 CO 0.03 0.17 -0.20 0.00 0.00 0.00 0.00 178.15 178.15 1gwp h ALA 105 N 1.83 0.98 -0.50 1.87 0.00 0.28 -3.44 119.26 120.28 1gwp h ALA 105 Ca -0.00 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.54 1gwp h ALA 105 Cb 0.82 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.51 1gwp h ALA 105 CO 0.02 0.25 -0.17 0.41 0.00 0.00 0.00 179.25 179.76 1gwp n GLY 106 N 0.34 1.00 0.10 0.00 0.00 -0.17 -4.89 105.19 101.58 1gwp n GLY 106 Ca 0.01 -0.61 -0.14 0.00 0.00 0.00 0.00 46.02 45.27 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 0.94 0.00 2.61 2.02 -1.70 -3.39 112.91 113.39 1gwp h THR 107 Ca -0.19 -2.68 -0.07 0.00 0.77 0.00 0.00 66.41 64.24 1gwp h THR 107 Cb 0.64 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.61 1gwp h THR 107 CO 0.27 0.73 -1.65 0.41 0.37 0.00 0.00 175.52 175.65 1gwp n THR 108 N -3.31 0.27 -4.33 3.16 -1.04 -1.20 -5.01 114.28 102.82 1gwp n THR 108 Ca -0.20 -0.36 -0.23 0.00 -2.04 0.00 0.00 64.05 61.22 1gwp n THR 108 Cb 1.04 -0.09 -0.08 0.00 -1.82 0.00 0.00 70.33 69.38 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 -3.77 4.28 0.46 8.00 1.04 -1.26 -5.03 113.70 117.41 1gwp s SER 109 Ca -0.05 -0.80 0.06 0.00 0.48 0.00 0.00 55.95 55.64 1gwp s SER 109 Cb 0.06 -0.66 0.06 0.00 0.10 0.00 0.00 66.02 65.58 1gwp s SER 109 CO 0.51 -0.05 0.51 0.35 0.98 0.00 0.00 173.24 175.53 1gwp n THR 110 N -0.86 0.00 0.17 2.02 -2.24 -1.26 -4.34 114.28 107.77 1gwp n THR 110 Ca -0.06 -1.66 -0.14 0.00 -2.27 0.00 0.00 64.05 59.92 1gwp n THR 110 Cb 0.60 -0.39 -0.07 0.00 -2.10 0.00 0.00 70.33 68.38 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 -0.78 -0.82 3.22 5.85 -1.97 -0.86 115.31 119.95 1gwp h LEU 111 Ca -0.25 0.08 0.20 0.00 0.84 0.00 0.00 57.88 58.75 1gwp h LEU 111 Cb 1.02 0.28 -0.13 0.00 0.37 0.00 0.00 40.66 42.20 1gwp h LEU 111 CO 0.37 -0.40 0.21 -0.61 -0.34 0.00 0.00 178.44 177.67 1gwp h GLN 112 N -0.57 0.23 -0.39 1.25 4.15 -1.99 0.31 115.11 118.10 1gwp h GLN 112 Ca 0.00 -0.01 0.02 0.00 0.77 0.00 0.00 58.65 59.42 1gwp h GLN 112 Cb 0.54 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 28.16 1gwp h GLN 112 CO -0.09 0.15 0.23 0.93 -1.93 0.00 0.00 178.83 178.13 1gwp h GLU 113 N 0.24 0.46 -0.44 1.69 5.08 -1.73 -0.37 114.58 119.51 1gwp h GLU 113 Ca 0.49 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.85 1gwp h GLU 113 Cb 0.92 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 30.03 1gwp h GLU 113 CO -0.59 0.30 0.23 1.96 -1.00 0.00 0.00 179.01 179.91 1gwp h GLN 114 N 0.47 0.45 -0.58 2.33 7.50 0.88 -0.66 115.11 125.50 1gwp h GLN 114 Ca 0.16 -0.03 0.01 0.00 0.50 0.00 0.00 58.65 59.29 1gwp h GLN 114 Cb 0.00 -0.10 -0.03 0.00 0.05 0.00 0.00 27.48 27.40 1gwp h GLN 114 CO -0.07 0.30 0.38 0.82 -1.50 0.00 0.00 178.83 178.76 1gwp h ILE 115 N 0.46 1.13 0.71 2.54 5.03 -0.44 -0.36 117.51 126.59 1gwp h ILE 115 Ca 0.19 -0.26 -0.04 0.00 -0.12 0.00 0.00 64.86 64.63 1gwp h ILE 115 Cb 0.08 0.30 0.01 0.00 -3.03 0.00 0.00 36.82 34.18 1gwp h ILE 115 CO -0.12 0.14 -0.34 1.23 -0.68 0.00 0.00 178.15 178.38 1gwp h GLY 116 N 0.76 -1.00 0.90 5.37 0.00 0.34 1.46 103.07 110.90 1gwp h GLY 116 Ca 0.22 0.37 0.14 0.00 0.00 0.00 0.00 47.33 48.05 1gwp h GLY 116 CO -0.05 -0.36 0.42 1.49 0.00 0.00 0.00 176.54 178.04 1gwp h TRP 117 N -1.08 0.28 0.00 5.60 6.55 -0.95 0.88 115.95 127.23 1gwp h TRP 117 Ca -0.10 0.01 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1gwp h TRP 117 Cb 0.76 -0.09 0.00 0.00 -0.86 0.00 0.00 29.16 28.97 1gwp h TRP 117 CO -0.01 0.12 -0.29 1.98 -1.05 0.00 0.00 178.44 179.19 1gwp h MET 118 N 0.25 0.00 -0.31 0.49 4.05 -0.58 0.37 114.93 119.19 1gwp h MET 118 Ca 0.29 0.00 -0.01 0.00 -0.28 0.00 0.00 59.70 59.70 1gwp h MET 118 Cb 0.82 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 31.61 1gwp h MET 118 CO -0.06 0.00 0.00 2.41 0.23 0.00 0.00 176.91 179.49 1gwp n THR 119 N -2.87 2.38 -4.27 -0.77 -1.04 0.50 -4.46 114.28 103.75 1gwp n THR 119 Ca 0.03 -1.85 -0.24 0.00 -2.04 0.00 0.00 64.05 59.95 1gwp n THR 119 Cb 0.52 -0.27 -0.08 0.00 -1.82 0.00 0.00 70.33 68.69 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 -2.85 2.61 -0.21 -1.42 4.02 0.20 -4.94 115.29 112.69 1gwp s HIS 120 Ca 0.44 -0.39 -0.04 0.00 1.02 0.00 0.00 55.06 56.09 1gwp s HIS 120 Cb 0.36 -1.48 -0.02 0.00 -1.02 0.00 0.00 32.58 30.42 1gwp s HIS 120 CO 0.09 0.46 -0.02 -0.80 1.02 0.00 0.00 174.74 175.50 1gwp s ASN 121 N -3.74 4.53 0.79 1.40 0.01 -1.26 -0.06 114.94 116.60 1gwp s ASN 121 Ca 0.35 -0.31 -0.11 0.00 -0.71 0.00 0.00 52.86 52.07 1gwp s ASN 121 Cb -0.02 -1.78 0.06 0.00 0.41 0.00 0.00 41.25 39.93 1gwp s ASN 121 CO 0.20 0.01 1.09 -2.16 -1.51 0.00 0.00 177.10 174.74 1gwp s PRO 122 N 1.30 2.18 -0.22 -0.60 0.04 -1.26 -5.08 135.00 131.36 1gwp s PRO 122 Ca 0.04 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.46 1gwp s PRO 122 Cb -0.14 -1.93 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1gwp s PRO 122 CO -0.01 -1.57 1.30 -1.25 0.04 0.00 0.00 177.00 175.52 1gwp s PRO 123 N -5.14 4.09 -0.16 0.56 0.04 0.91 -4.91 135.00 130.39 1gwp s PRO 123 Ca 0.60 1.52 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 1gwp s PRO 123 Cb -0.14 -3.83 -0.01 0.00 0.04 0.00 0.00 34.50 30.56 1gwp s PRO 123 CO 0.54 -0.89 0.90 0.42 0.04 0.00 0.00 177.00 178.01 1gwp s ILE 124 N 3.93 4.83 0.00 0.56 1.09 0.13 -4.92 121.20 126.82 1gwp s ILE 124 Ca 0.57 1.79 -0.04 0.00 -1.10 0.00 0.00 60.65 61.86 1gwp s ILE 124 Cb -0.20 -4.20 -0.18 0.00 -1.06 0.00 0.00 42.46 36.81 1gwp s ILE 124 CO 0.19 0.00 2.72 -0.81 -0.10 0.00 0.00 174.94 176.94 1gwp n PRO 125 N 5.26 1.43 -0.27 2.79 -0.04 -1.26 -3.76 135.00 139.15 1gwp n PRO 125 Ca 0.06 -0.68 0.19 0.00 -0.04 0.00 0.00 63.50 63.03 1gwp n PRO 125 Cb 0.48 -1.81 0.49 0.00 -0.04 0.00 0.00 33.50 32.62 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 2.17 0.66 0.27 0.52 3.04 -1.90 0.36 116.25 121.37 1gwp h VAL 126 Ca 0.13 -0.16 -0.01 0.00 -1.01 0.00 0.00 66.70 65.65 1gwp h VAL 126 Cb 1.10 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.55 1gwp h VAL 126 CO 0.27 0.08 -0.13 1.23 -1.01 0.00 0.00 177.57 178.02 1gwp h GLY 127 N 0.46 -0.37 0.05 3.17 0.00 -1.81 0.13 103.07 104.69 1gwp h GLY 127 Ca 0.50 0.14 0.23 0.00 0.00 0.00 0.00 47.33 48.19 1gwp h GLY 127 CO -0.22 -0.14 0.63 -2.09 0.00 0.00 0.00 176.54 174.73 1gwp h GLU 128 N -0.46 0.51 0.60 4.80 4.81 -1.68 0.26 114.58 123.43 1gwp h GLU 128 Ca -0.04 -0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.13 1gwp h GLU 128 Cb 0.27 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.54 1gwp h GLU 128 CO 0.06 0.34 -0.29 0.82 -0.73 0.00 0.00 179.01 179.21 1gwp h ILE 129 N 0.53 0.00 -0.82 2.32 2.04 -0.27 0.11 117.51 121.43 1gwp h ILE 129 Ca 0.56 -0.15 0.19 0.00 1.00 0.00 0.00 64.86 66.46 1gwp h ILE 129 Cb 1.21 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 37.18 1gwp h ILE 129 CO -0.31 0.00 0.29 0.22 0.00 0.00 0.00 178.15 178.36 1gwp h TYR 130 N -0.96 0.48 -0.92 1.37 3.20 0.21 0.48 116.97 120.84 1gwp h TYR 130 Ca -0.08 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 61.82 1gwp h TYR 130 Cb 0.62 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.76 1gwp h TYR 130 CO 0.05 -0.05 0.55 -0.22 -1.64 0.00 0.00 178.16 176.85 1gwp h LYS 131 N 0.36 1.26 -0.60 1.82 3.11 -0.46 0.11 116.57 122.17 1gwp h LYS 131 Ca 0.48 -0.12 -0.04 0.00 -2.81 0.00 0.00 60.65 58.17 1gwp h LYS 131 Cb 0.86 -0.26 -0.03 0.00 -1.00 0.00 0.00 32.23 31.80 1gwp h LYS 131 CO -0.51 0.89 0.23 -0.09 -2.81 0.00 0.00 179.45 177.16 1gwp h ARG 132 N 1.27 0.90 0.80 1.90 1.12 0.19 0.58 114.38 121.15 1gwp h ARG 132 Ca 0.33 -0.17 -0.04 0.00 -1.11 0.00 0.00 59.98 58.99 1gwp h ARG 132 Cb -0.04 -0.14 0.01 0.00 -0.01 0.00 0.00 29.97 29.79 1gwp h ARG 132 CO -0.06 0.78 -0.38 -1.49 -3.11 0.00 0.00 179.97 175.71 1gwp h TRP 133 N 0.84 -1.00 -0.67 2.20 6.55 -0.20 0.49 115.95 124.15 1gwp h TRP 133 Ca 0.20 -0.02 0.13 0.00 0.95 0.00 0.00 58.89 60.14 1gwp h TRP 133 Cb 0.22 0.33 -0.13 0.00 -0.86 0.00 0.00 29.16 28.73 1gwp h TRP 133 CO 0.01 -0.61 -0.25 0.82 -1.05 0.00 0.00 178.44 177.36 1gwp h ILE 134 N -1.24 0.22 0.00 1.49 2.04 -0.72 1.61 117.51 120.91 1gwp h ILE 134 Ca -0.11 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 1gwp h ILE 134 Cb 0.83 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1gwp h ILE 134 CO 0.18 0.00 -0.14 -0.29 0.00 0.00 0.00 178.15 177.90 1gwp h ILE 135 N -0.07 0.98 -0.33 -0.67 6.09 -0.75 -1.63 117.51 121.13 1gwp h ILE 135 Ca 0.30 -0.51 0.01 0.00 -1.37 0.00 0.00 64.86 63.29 1gwp h ILE 135 Cb 0.54 1.28 -0.02 0.00 0.47 0.00 0.00 36.82 39.09 1gwp h ILE 135 CO -0.72 0.14 0.20 0.25 -3.07 0.00 0.00 178.15 174.94 1gwp h LEU 136 N 0.00 0.32 -0.11 2.19 6.46 0.73 -0.54 115.31 124.37 1gwp h LEU 136 Ca -0.00 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.73 1gwp h LEU 136 Cb 0.27 -0.07 -0.00 0.00 -0.73 0.00 0.00 40.66 40.13 1gwp h LEU 136 CO 0.02 0.24 -0.04 1.23 -0.62 0.00 0.00 178.44 179.26 1gwp h GLY 137 N 0.41 0.24 0.05 3.75 0.00 -0.43 -1.28 103.07 105.79 1gwp h GLY 137 Ca 0.13 -0.21 0.21 0.00 0.00 0.00 0.00 47.33 47.47 1gwp h GLY 137 CO -0.06 0.19 0.61 1.41 0.00 0.00 0.00 176.54 178.69 1gwp h LEU 138 N -0.13 0.70 -0.16 3.11 3.38 -1.10 0.74 115.31 121.85 1gwp h LEU 138 Ca 0.03 0.10 -0.08 0.00 0.09 0.00 0.00 57.88 58.02 1gwp h LEU 138 Cb 0.48 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 1gwp h LEU 138 CO 0.01 0.21 -0.21 -1.13 0.09 0.00 0.00 178.44 177.41 1gwp h ASN 139 N 0.66 0.47 -0.06 -0.43 -1.24 -0.92 0.32 115.58 114.38 1gwp h ASN 139 Ca 0.59 -0.51 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1gwp h ASN 139 Cb 1.06 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.98 1gwp h ASN 139 CO -0.38 0.88 0.03 0.50 -1.29 0.00 0.00 177.43 177.18 1gwp h LYS 140 N 0.07 0.08 0.11 6.67 3.64 0.59 0.20 116.57 127.93 1gwp h LYS 140 Ca 0.02 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.23 1gwp h LYS 140 Cb 0.77 -0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.59 1gwp h LYS 140 CO 0.05 0.06 -0.70 0.82 -2.27 0.00 0.00 179.45 177.41 1gwp h ILE 141 N 0.08 1.54 -0.41 2.00 2.04 0.57 -2.71 117.51 120.62 1gwp h ILE 141 Ca 0.02 -2.47 0.05 0.00 1.00 0.00 0.00 64.86 63.46 1gwp h ILE 141 Cb 0.00 3.17 -0.05 0.00 -0.74 0.00 0.00 36.82 39.21 1gwp h ILE 141 CO -0.00 0.70 0.13 0.58 0.00 0.00 0.00 178.15 179.56 1gwp h VAL 142 N -0.42 0.86 0.00 1.67 2.07 0.40 0.23 116.25 121.06 1gwp h VAL 142 Ca -0.12 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1gwp h VAL 142 Cb 1.54 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1gwp h VAL 142 CO 0.13 0.05 -0.15 0.08 0.02 0.00 0.00 177.57 177.70 1gwp h ARG 143 N 0.29 0.00 0.00 1.57 0.11 -0.73 -1.14 114.38 114.48 1gwp h ARG 143 Ca 0.19 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 60.18 1gwp h ARG 143 Cb 0.19 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.25 1gwp h ARG 143 CO -0.20 0.15 -0.43 0.00 0.10 0.00 0.00 179.97 179.59 1gwp h MET 144 N 0.00 0.00 0.13 0.08 -0.00 -0.53 -3.30 114.93 111.31 1gwp h MET 144 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 59.70 59.69 1gwp h MET 144 Cb 0.30 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.90 1gwp h MET 144 CO 0.02 0.43 -0.06 1.88 -0.00 0.00 0.00 176.91 179.18 1gwp h TYR 145 N 0.00 -0.16 -6.51 -0.10 -1.99 0.59 -3.49 116.97 105.31 1gwp h TYR 145 Ca -0.00 -0.00 -0.31 0.00 2.00 0.00 0.00 58.73 60.41 1gwp h TYR 145 Cb 1.20 0.05 0.02 0.00 2.00 0.00 0.00 36.73 40.00 1gwp h TYR 145 CO 0.00 0.30 -1.17 0.45 -0.00 0.00 0.00 178.16 177.74 1gwp n SER 146 N -4.91 -5.72 -4.69 3.88 2.88 -0.98 -4.82 113.62 99.26 1gwp n SER 146 Ca -0.08 -0.04 -0.42 0.00 -1.33 0.00 0.00 58.87 56.99 1gwp n SER 146 Cb 0.27 -1.67 -0.03 0.00 -0.75 0.00 0.00 64.21 62.04 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1gwp s PRO 147 N -2.17 4.35 -1.14 -1.46 0.04 -1.26 -4.95 135.00 128.41 1gwp s PRO 147 Ca 0.31 1.70 -0.05 0.00 0.04 0.00 0.00 61.00 63.00 1gwp s PRO 147 Cb -0.03 -3.55 0.26 0.00 0.04 0.00 0.00 34.50 31.22 1gwp s PRO 147 CO 0.71 -0.45 1.75 -2.37 0.04 0.00 0.00 177.00 176.68 1gwp n THR 148 N 4.58 5.30 -1.40 1.26 5.66 -1.26 -4.95 114.28 123.48 1gwp n THR 148 Ca 0.11 -5.45 0.01 0.00 -3.05 0.00 0.00 64.05 55.68 1gwp n THR 148 Cb 0.46 -2.02 -0.01 0.00 -1.55 0.00 0.00 70.33 67.22 1gwp n THR 148 CO 0.00 0.00 0.00 -1.20 -3.05 0.00 0.00 175.07 170.82 1gwp n SER 149 N 1.58 -7.53 -1.32 1.09 7.64 -1.26 -5.01 113.62 108.82 1gwp n SER 149 Ca 0.38 1.65 0.00 0.00 1.01 0.00 0.00 58.87 61.91 1gwp n SER 149 Cb 0.31 -4.44 0.00 0.00 -1.01 0.00 0.00 64.21 59.07 1gwp n SER 149 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1gwp n ILE 150 N -2.64 -4.48 0.90 0.44 5.41 -1.26 -5.26 119.36 112.47 1gwp n ILE 150 Ca -0.01 1.94 0.07 0.00 1.00 0.00 0.00 62.75 65.75 1gwp n ILE 150 Cb 0.45 -2.71 0.43 0.00 -0.71 0.00 0.00 39.64 37.10 1gwp n ILE 150 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 176.55 176.44