#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 2.25 0.12 0.52 1.01 -1.23 -1.51 121.20 122.36 1gwp s ILE 2 Ca 0.00 -1.01 0.01 0.00 0.00 0.00 0.00 60.65 59.65 1gwp s ILE 2 Cb 0.00 -1.82 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1gwp s ILE 2 CO 0.00 0.57 -0.03 0.68 0.00 0.00 0.00 174.94 176.17 1gwp s VAL 3 N -0.36 0.58 0.07 2.92 -7.23 -0.10 -4.96 120.40 111.32 1gwp s VAL 3 Ca 0.02 -1.94 -0.19 0.00 -1.81 0.00 0.00 61.98 58.06 1gwp s VAL 3 Cb -0.12 -1.86 -0.07 0.00 0.56 0.00 0.00 36.38 34.89 1gwp s VAL 3 CO 0.02 -0.70 0.57 -1.10 -0.31 0.00 0.00 175.10 173.57 1gwp s GLN 4 N -3.89 4.20 -0.28 4.82 -0.21 -1.25 -1.52 119.66 121.51 1gwp s GLN 4 Ca 0.17 0.74 -0.15 0.00 0.02 0.00 0.00 55.36 56.13 1gwp s GLN 4 Cb 0.06 -3.24 0.09 0.00 1.00 0.00 0.00 33.01 30.93 1gwp s GLN 4 CO -0.02 0.64 0.72 0.54 -2.12 0.00 0.00 175.29 175.05 1gwp s ASN 5 N -1.11 -0.93 0.08 5.90 6.03 0.17 -4.90 114.94 120.18 1gwp s ASN 5 Ca 0.29 1.45 0.00 0.00 -1.03 0.00 0.00 52.86 53.57 1gwp s ASN 5 Cb -0.19 1.50 0.00 0.00 -3.03 0.00 0.00 41.25 39.52 1gwp s ASN 5 CO 0.19 -0.22 0.00 0.18 -2.03 0.00 0.00 177.10 175.21 1gwp n LEU 6 N 4.42 -3.44 -4.11 3.54 4.77 -1.26 -3.49 117.00 117.44 1gwp n LEU 6 Ca -0.19 1.13 -0.28 0.00 -0.03 0.00 0.00 56.01 56.65 1gwp n LEU 6 Cb 0.57 -1.48 -0.08 0.00 -2.33 0.00 0.00 43.42 40.10 1gwp n LEU 6 CO -0.02 -0.53 -0.41 0.00 -1.33 0.00 0.00 177.39 175.10 1gwp n GLN 7 N 0.50 -0.92 -2.06 3.23 3.00 -1.26 0.31 117.38 120.18 1gwp n GLN 7 Ca 0.00 0.08 -0.05 0.00 -0.01 0.00 0.00 57.00 57.02 1gwp n GLN 7 Cb 0.00 -3.12 -0.01 0.00 0.00 0.00 0.00 30.24 27.11 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 -2.39 -0.19 3.77 1.08 0.00 -1.26 -4.87 105.19 101.34 1gwp n GLY 8 Ca -0.28 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -4.20 2.32 -0.12 1.61 -0.21 0.93 -4.71 119.66 115.28 1gwp s GLN 9 Ca 0.00 1.15 0.00 0.00 0.02 0.00 0.00 55.36 56.53 1gwp s GLN 9 Cb 0.00 -1.90 -0.02 0.00 1.00 0.00 0.00 33.01 32.09 1gwp s GLN 9 CO 0.00 -1.60 -0.13 -1.64 -2.12 0.00 0.00 175.29 169.81 1gwp s MET 10 N -4.90 3.30 0.07 2.91 -1.94 -1.26 0.44 119.30 117.91 1gwp s MET 10 Ca 0.61 -0.68 -0.13 0.00 -1.71 0.00 0.00 55.69 53.79 1gwp s MET 10 Cb -0.17 -2.62 0.02 0.00 2.01 0.00 0.00 34.83 34.07 1gwp s MET 10 CO 0.56 0.27 0.28 0.14 -0.01 0.00 0.00 175.02 176.26 1gwp s VAL 11 N 0.22 0.10 0.18 -6.03 -7.23 -0.58 -4.96 120.40 102.09 1gwp s VAL 11 Ca -0.08 -0.81 -0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1gwp s VAL 11 Cb -0.15 -1.08 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 1gwp s VAL 11 CO 0.05 -0.44 0.35 -1.38 -0.31 0.00 0.00 175.10 173.37 1gwp s HIS 12 N -3.10 3.49 -0.33 2.82 -3.43 -1.26 -0.92 115.29 112.55 1gwp s HIS 12 Ca -0.01 0.30 0.07 0.00 -0.80 0.00 0.00 55.06 54.62 1gwp s HIS 12 Cb 0.01 -1.82 0.45 0.00 -1.43 0.00 0.00 32.58 29.79 1gwp s HIS 12 CO -0.07 0.43 1.17 0.00 -2.00 0.00 0.00 174.74 174.27 1gwp n GLN 13 N -0.51 3.56 -0.15 -0.38 10.64 -0.57 -4.94 117.38 125.03 1gwp n GLN 13 Ca -0.05 -4.26 0.02 0.00 -1.83 0.00 0.00 57.00 50.88 1gwp n GLN 13 Cb 0.53 -2.27 -0.01 0.00 -0.86 0.00 0.00 30.24 27.64 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 1gwp n ALA 14 N -0.64 -0.81 -1.66 2.61 0.00 -1.26 -4.80 120.51 113.95 1gwp n ALA 14 Ca 0.42 0.05 -0.10 0.00 0.00 0.00 0.00 53.44 53.81 1gwp n ALA 14 Cb 0.88 -0.24 0.08 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 -1.01 0.00 -4.22 0.00 3.06 -1.26 -4.15 119.36 111.78 1gwp n ILE 15 Ca 0.00 -0.52 -0.19 0.00 -2.50 0.00 0.00 62.75 59.55 1gwp n ILE 15 Cb 0.07 -1.63 -0.12 0.00 0.54 0.00 0.00 39.64 38.50 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 -3.14 1.62 0.13 9.51 0.15 -1.26 -5.04 113.70 115.67 1gwp s SER 16 Ca 0.34 -0.56 -0.06 0.00 0.70 0.00 0.00 55.95 56.37 1gwp s SER 16 Cb -0.01 -0.06 -0.08 0.00 -1.71 0.00 0.00 66.02 64.15 1gwp s SER 16 CO 0.23 -0.05 1.32 1.55 1.20 0.00 0.00 173.24 177.50 1gwp h PRO 17 N 4.52 0.50 -0.11 5.44 0.13 -1.99 -1.63 132.00 138.85 1gwp h PRO 17 Ca -0.40 -0.48 -0.10 0.00 -0.87 0.00 0.00 66.00 64.16 1gwp h PRO 17 Cb 1.19 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.43 1gwp h PRO 17 CO 0.41 1.12 -0.36 0.00 -0.23 0.00 0.00 178.00 178.95 1gwp h ARG 18 N 0.30 0.23 -0.01 0.86 3.08 -1.98 0.32 114.38 117.19 1gwp h ARG 18 Ca -0.07 -0.10 -0.04 0.00 0.07 0.00 0.00 59.98 59.84 1gwp h ARG 18 Cb 1.50 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.55 1gwp h ARG 18 CO 0.16 0.56 -0.17 1.15 -1.07 0.00 0.00 179.97 180.61 1gwp h THR 19 N 0.20 1.56 -0.62 2.04 2.02 -1.97 -1.37 112.91 114.76 1gwp h THR 19 Ca 0.02 -1.86 -0.06 0.00 0.77 0.00 0.00 66.41 65.28 1gwp h THR 19 Cb 0.73 2.74 -0.03 0.00 -1.74 0.00 0.00 68.15 69.86 1gwp h THR 19 CO 0.06 0.50 0.15 -0.07 0.37 0.00 0.00 175.52 176.53 1gwp h LEU 20 N -0.56 0.95 0.93 2.58 3.38 -1.23 0.18 115.31 121.54 1gwp h LEU 20 Ca -0.02 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.67 1gwp h LEU 20 Cb 0.91 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.42 1gwp h LEU 20 CO 0.03 0.93 -0.45 -1.13 0.09 0.00 0.00 178.44 177.92 1gwp h ASN 21 N 0.92 -1.06 -0.67 -0.43 -1.24 -0.43 0.23 115.58 112.88 1gwp h ASN 21 Ca 0.20 0.04 0.11 0.00 0.71 0.00 0.00 56.30 57.36 1gwp h ASN 21 Cb 0.35 0.27 -0.08 0.00 0.73 0.00 0.00 38.32 39.60 1gwp h ASN 21 CO 0.00 -0.74 0.25 0.00 -1.29 0.00 0.00 177.43 175.65 1gwp h ALA 22 N -1.23 0.90 0.35 1.57 0.00 -1.18 0.13 119.26 119.79 1gwp h ALA 22 Ca -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1gwp h ALA 22 Cb 0.96 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1gwp h ALA 22 CO 0.21 -0.20 -0.43 2.35 0.00 0.00 0.00 179.25 181.18 1gwp h TRP 23 N 0.42 -1.21 -0.98 0.00 2.91 -0.39 0.55 115.95 117.25 1gwp h TRP 23 Ca 0.35 0.01 0.32 0.00 1.13 0.00 0.00 58.89 60.70 1gwp h TRP 23 Cb 0.49 0.48 -0.15 0.00 -0.51 0.00 0.00 29.16 29.46 1gwp h TRP 23 CO -0.17 -0.55 0.50 0.28 -1.03 0.00 0.00 178.44 177.46 1gwp h VAL 24 N -0.80 0.26 -0.59 2.65 2.07 0.31 1.72 116.25 121.88 1gwp h VAL 24 Ca -0.04 -0.09 -0.09 0.00 0.82 0.00 0.00 66.70 67.30 1gwp h VAL 24 Cb 0.71 -0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1gwp h VAL 24 CO -0.10 0.05 0.01 0.11 0.02 0.00 0.00 177.57 177.66 1gwp h LYS 25 N 0.26 1.03 -0.38 1.57 1.79 0.64 0.38 116.57 121.87 1gwp h LYS 25 Ca 0.71 -0.32 -0.01 0.00 -2.18 0.00 0.00 60.65 58.85 1gwp h LYS 25 Cb 1.63 -0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 32.17 1gwp h LYS 25 CO -0.64 1.01 0.20 0.28 -1.08 0.00 0.00 179.45 179.22 1gwp h VAL 26 N 0.93 1.15 -0.57 0.50 2.07 0.75 0.24 116.25 121.32 1gwp h VAL 26 Ca 0.17 -0.41 -0.11 0.00 0.82 0.00 0.00 66.70 67.18 1gwp h VAL 26 Cb 0.54 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1gwp h VAL 26 CO 0.03 0.16 -0.07 0.58 0.02 0.00 0.00 177.57 178.29 1gwp h VAL 27 N 0.48 1.27 -0.61 2.57 2.07 -0.16 0.34 116.25 122.21 1gwp h VAL 27 Ca 0.13 -1.22 0.01 0.00 0.82 0.00 0.00 66.70 66.45 1gwp h VAL 27 Cb 0.07 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 1gwp h VAL 27 CO -0.02 0.44 0.40 -0.08 0.02 0.00 0.00 177.57 178.33 1gwp h GLU 28 N 0.93 0.78 0.06 1.57 4.22 0.24 1.65 114.58 124.03 1gwp h GLU 28 Ca 0.15 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.47 1gwp h GLU 28 Cb 0.63 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.71 1gwp h GLU 28 CO 0.04 0.51 -0.34 1.49 -2.18 0.00 0.00 179.01 178.54 1gwp h GLU 29 N 0.80 0.12 0.00 1.92 4.81 -0.54 -3.43 114.58 118.27 1gwp h GLU 29 Ca 0.23 -0.21 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1gwp h GLU 29 Cb -0.05 0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.40 1gwp h GLU 29 CO -0.05 1.10 0.00 1.63 -0.73 0.00 0.00 179.01 180.96 1gwp n LYS 30 N -4.41 0.00 -1.03 1.92 5.02 0.12 -5.10 118.16 114.68 1gwp n LYS 30 Ca -0.12 0.09 0.00 0.00 -2.02 0.00 0.00 58.31 56.27 1gwp n LYS 30 Cb 0.62 -0.44 0.00 0.00 -0.02 0.00 0.00 35.03 35.20 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 -1.70 -2.06 -3.82 7.82 0.00 0.56 -4.67 120.51 116.64 1gwp n ALA 31 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1gwp n ALA 31 Cb 0.00 0.00 0.03 0.00 0.00 0.00 0.00 19.45 19.48 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 -0.05 -1.73 -4.27 0.00 3.01 -1.26 -4.98 117.46 108.17 1gwp n PHE 32 Ca 0.00 0.35 -0.27 0.00 1.01 0.00 0.00 57.45 58.54 1gwp n PHE 32 Cb 0.00 -3.25 -0.06 0.00 -0.01 0.00 0.00 39.48 36.16 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1gwp s SER 33 N -3.55 4.34 0.00 4.37 1.04 -1.26 -4.71 113.70 113.93 1gwp s SER 33 Ca 0.45 -1.27 0.24 0.00 0.48 0.00 0.00 55.95 55.84 1gwp s SER 33 Cb -0.19 -0.06 1.39 0.00 0.10 0.00 0.00 66.02 67.26 1gwp s SER 33 CO 0.90 -0.72 1.78 -0.81 0.98 0.00 0.00 173.24 175.37 1gwp n PRO 34 N -1.32 0.69 -0.08 4.02 -0.04 -1.26 -1.97 135.00 135.04 1gwp n PRO 34 Ca -0.06 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.49 1gwp n PRO 34 Cb 0.65 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.72 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 1.67 -0.00 0.54 4.71 -1.26 -4.28 120.64 120.98 1gwp n GLU 35 Ca 0.17 -1.67 0.04 0.00 -0.01 0.00 0.00 57.16 55.69 1gwp n GLU 35 Cb 0.09 -1.30 -0.06 0.00 -1.01 0.00 0.00 31.44 29.16 1gwp n GLU 35 CO 0.00 0.00 0.00 1.55 0.09 0.00 0.00 177.13 178.77 1gwp n VAL 36 N 0.82 0.00 -0.17 2.62 3.14 -0.83 -4.21 118.33 119.70 1gwp n VAL 36 Ca 0.11 -0.25 -0.11 0.00 -2.96 0.00 0.00 64.34 61.13 1gwp n VAL 36 Cb 0.40 0.66 0.00 0.00 -1.06 0.00 0.00 33.84 33.84 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 1.27 -0.05 1.55 1.08 -1.72 -0.60 117.51 119.04 1gwp h ILE 37 Ca 0.00 -1.25 -0.23 0.00 -0.39 0.00 0.00 64.86 62.99 1gwp h ILE 37 Cb 0.29 1.07 0.01 0.00 -3.07 0.00 0.00 36.82 35.12 1gwp h ILE 37 CO 0.00 0.43 -0.90 1.55 -0.69 0.00 0.00 178.15 178.54 1gwp h PRO 38 N 0.79 0.58 -0.47 2.37 0.13 -1.80 -1.69 132.00 131.92 1gwp h PRO 38 Ca 0.12 -0.56 -0.06 0.00 -0.87 0.00 0.00 66.00 64.63 1gwp h PRO 38 Cb 0.67 0.15 -0.02 0.00 0.13 0.00 0.00 31.00 31.92 1gwp h PRO 38 CO 0.05 1.18 0.05 1.98 -0.23 0.00 0.00 178.00 181.03 1gwp h MET 39 N 0.36 0.74 -0.02 0.86 4.05 -1.71 -0.53 114.93 118.69 1gwp h MET 39 Ca -0.08 -0.17 -0.15 0.00 -0.28 0.00 0.00 59.70 59.02 1gwp h MET 39 Cb 1.53 -0.10 0.01 0.00 -0.80 0.00 0.00 31.60 32.24 1gwp h MET 39 CO 0.17 0.72 -0.57 0.35 0.23 0.00 0.00 176.91 177.81 1gwp h PHE 40 N 0.71 0.61 -0.46 1.39 3.57 -1.10 -1.17 116.94 120.48 1gwp h PHE 40 Ca 0.15 -0.32 -0.00 0.00 3.53 0.00 0.00 57.97 61.32 1gwp h PHE 40 Cb 0.36 -0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1gwp h PHE 40 CO 0.02 1.13 0.27 0.66 -2.23 0.00 0.00 178.31 178.16 1gwp h SER 41 N -0.08 0.55 -0.02 0.41 4.64 -1.16 0.37 113.55 118.26 1gwp h SER 41 Ca -0.07 -0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.19 1gwp h SER 41 Cb 1.27 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 1gwp h SER 41 CO 0.11 0.43 -0.11 0.00 -0.87 0.00 0.00 176.83 176.40 1gwp h ALA 42 N 1.66 0.03 0.00 5.18 0.00 -1.10 -2.96 119.26 122.08 1gwp h ALA 42 Ca 0.17 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1gwp h ALA 42 Cb -0.01 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 1gwp h ALA 42 CO -0.03 -0.04 -0.01 -0.07 0.00 0.00 0.00 179.25 179.10 1gwp h LEU 43 N -0.54 0.00 -3.85 0.00 4.07 -0.76 -0.91 115.31 113.31 1gwp h LEU 43 Ca -0.01 0.00 -0.57 0.00 0.08 0.00 0.00 57.88 57.38 1gwp h LEU 43 Cb 0.80 0.00 -0.31 0.00 1.08 0.00 0.00 40.66 42.23 1gwp h LEU 43 CO 0.02 0.01 0.25 -1.54 -1.08 0.00 0.00 178.44 176.11 1gwp n SER 44 N -3.19 5.95 0.07 -0.43 3.41 0.13 -4.73 113.62 114.83 1gwp n SER 44 Ca -0.02 -3.76 -0.12 0.00 -0.26 0.00 0.00 58.87 54.70 1gwp n SER 44 Cb 0.14 -0.74 -0.05 0.00 -0.26 0.00 0.00 64.21 63.29 1gwp n SER 44 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1gwp h GLU 45 N 1.85 -0.47 -1.24 4.33 4.39 -1.00 -3.36 114.58 119.08 1gwp h GLU 45 Ca 0.50 0.03 -0.39 0.00 0.34 0.00 0.00 59.36 59.84 1gwp h GLU 45 Cb 1.30 0.11 -0.32 0.00 -0.10 0.00 0.00 28.75 29.74 1gwp h GLU 45 CO 1.17 -0.31 -0.96 0.41 -1.16 0.00 0.00 179.01 178.16 1gwp n GLY 46 N -1.41 2.43 3.93 -3.84 0.00 -1.26 -4.33 105.19 100.71 1gwp n GLY 46 Ca -0.05 -1.12 -0.25 0.00 0.00 0.00 0.00 46.02 44.60 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 -1.71 3.63 0.84 4.61 0.00 -1.26 -3.50 121.76 124.36 1gwp s ALA 47 Ca 0.33 -0.82 -0.02 0.00 0.00 0.00 0.00 51.96 51.44 1gwp s ALA 47 Cb 0.35 -2.23 0.04 0.00 0.00 0.00 0.00 23.12 21.29 1gwp s ALA 47 CO -0.06 -0.12 0.23 0.25 0.00 0.00 0.00 175.76 176.06 1gwp n THR 48 N -1.92 0.00 0.06 0.00 -2.24 -1.26 -4.58 114.28 104.33 1gwp n THR 48 Ca -0.03 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.41 1gwp n THR 48 Cb 0.56 -1.73 -0.03 0.00 -2.10 0.00 0.00 70.33 67.03 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 0.45 0.02 -0.78 0.13 -1.94 -1.50 132.00 128.37 1gwp h PRO 49 Ca -0.07 -0.44 -0.20 0.00 -0.87 0.00 0.00 66.00 64.42 1gwp h PRO 49 Cb 0.22 0.11 -0.01 0.00 0.13 0.00 0.00 31.00 31.45 1gwp h PRO 49 CO 0.06 1.09 -0.92 0.37 -0.23 0.00 0.00 178.00 178.36 1gwp h GLN 50 N 0.27 0.15 0.37 0.86 5.75 -1.97 -0.48 115.11 120.07 1gwp h GLN 50 Ca -0.07 -0.18 -0.02 0.00 -0.15 0.00 0.00 58.65 58.24 1gwp h GLN 50 Cb 1.49 0.06 0.00 0.00 1.07 0.00 0.00 27.48 30.10 1gwp h GLN 50 CO 0.15 0.97 -0.18 -0.44 -2.65 0.00 0.00 178.83 176.68 1gwp h ASP 51 N 0.07 -0.42 -0.70 -0.69 3.32 -1.92 0.27 116.42 116.35 1gwp h ASP 51 Ca -0.04 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1gwp h ASP 51 Cb 1.58 0.11 -0.03 0.00 0.22 0.00 0.00 39.33 41.21 1gwp h ASP 51 CO 0.14 0.01 0.45 -0.07 -1.72 0.00 0.00 179.24 178.05 1gwp h LEU 52 N -0.98 0.82 -0.91 1.55 3.38 -1.37 -1.19 115.31 116.60 1gwp h LEU 52 Ca -0.05 -0.03 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1gwp h LEU 52 Cb 0.53 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.02 1gwp h LEU 52 CO 0.08 0.61 0.59 -1.13 0.09 0.00 0.00 178.44 178.68 1gwp h ASN 53 N 0.95 0.98 0.44 -0.43 -0.73 -1.11 -1.03 115.58 114.66 1gwp h ASN 53 Ca 0.26 -0.01 -0.02 0.00 1.87 0.00 0.00 56.30 58.40 1gwp h ASN 53 Cb -0.09 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.29 1gwp h ASN 53 CO -0.05 0.67 -0.21 0.74 -0.37 0.00 0.00 177.43 178.20 1gwp h THR 54 N 1.14 0.57 -0.87 -3.57 2.02 0.05 -0.50 112.91 111.75 1gwp h THR 54 Ca 0.37 -0.01 0.15 0.00 0.77 0.00 0.00 66.41 67.68 1gwp h THR 54 Cb 0.02 0.57 -0.09 0.00 -1.74 0.00 0.00 68.15 66.90 1gwp h THR 54 CO -0.12 0.00 0.46 -0.03 0.37 0.00 0.00 175.52 176.20 1gwp h MET 55 N -0.60 0.64 -0.65 6.66 4.05 -0.84 0.35 114.93 124.54 1gwp h MET 55 Ca -0.06 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.30 1gwp h MET 55 Cb 0.46 -0.15 -0.03 0.00 -0.80 0.00 0.00 31.60 31.09 1gwp h MET 55 CO 0.10 0.43 0.32 -0.07 0.23 0.00 0.00 176.91 177.92 1gwp h LEU 56 N 0.66 0.85 -0.81 3.39 4.07 -0.86 -1.52 115.31 121.10 1gwp h LEU 56 Ca 0.47 -0.13 -0.07 0.00 0.08 0.00 0.00 57.88 58.24 1gwp h LEU 56 Cb 0.65 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 42.15 1gwp h LEU 56 CO -0.35 0.74 0.12 -1.13 -1.08 0.00 0.00 178.44 176.73 1gwp h ASN 57 N 0.90 0.96 -0.69 -0.43 -1.24 0.82 -2.31 115.58 113.59 1gwp h ASN 57 Ca 0.23 -0.21 0.01 0.00 0.71 0.00 0.00 56.30 57.04 1gwp h ASN 57 Cb 0.11 -0.25 -0.04 0.00 0.73 0.00 0.00 38.32 38.87 1gwp h ASN 57 CO -0.03 0.95 0.46 0.74 -1.29 0.00 0.00 177.43 178.26 1gwp h THR 58 N 0.96 1.16 -1.75 -3.57 2.02 0.26 -3.43 112.91 108.55 1gwp h THR 58 Ca 0.20 -0.31 -0.51 0.00 0.77 0.00 0.00 66.41 66.56 1gwp h THR 58 Cb 0.39 0.17 0.25 0.00 -1.74 0.00 0.00 68.15 67.21 1gwp h THR 58 CO 0.01 0.17 -2.00 0.55 0.37 0.00 0.00 175.52 174.61 1gwp n VAL 59 N -4.44 0.00 -0.31 3.16 3.14 -0.63 -4.69 118.33 114.56 1gwp n VAL 59 Ca 0.08 -0.22 0.11 0.00 -2.96 0.00 0.00 64.34 61.35 1gwp n VAL 59 Cb 0.06 -0.16 0.23 0.00 -1.06 0.00 0.00 33.84 32.90 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 3.07 -1.28 0.00 7.55 0.00 -1.26 -4.80 105.19 108.46 1gwp n GLY 60 Ca -0.01 0.89 0.00 0.00 0.00 0.00 0.00 46.02 46.90 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 -1.48 0.70 3.67 -0.02 0.00 -1.26 -5.09 105.19 101.71 1gwp n GLY 61 Ca 0.19 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.41 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 -1.16 3.38 0.10 1.61 3.76 -1.26 -4.96 115.29 116.77 1gwp s HIS 62 Ca 0.00 0.83 -0.17 0.00 -0.15 0.00 0.00 55.06 55.57 1gwp s HIS 62 Cb 0.00 -2.70 -0.06 0.00 1.11 0.00 0.00 32.58 30.93 1gwp s HIS 62 CO 0.00 -0.10 1.53 0.37 -0.85 0.00 0.00 174.74 175.69 1gwp h GLN 63 N 7.41 0.57 -0.04 1.40 4.15 -1.98 0.15 115.11 126.76 1gwp h GLN 63 Ca -0.34 -0.19 -0.00 0.00 0.77 0.00 0.00 58.65 58.90 1gwp h GLN 63 Cb 1.15 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.79 1gwp h GLN 63 CO 0.75 0.71 0.02 0.00 -1.93 0.00 0.00 178.83 178.38 1gwp h ALA 64 N 0.83 0.06 0.10 3.38 0.00 -1.98 0.40 119.26 122.04 1gwp h ALA 64 Ca 0.09 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1gwp h ALA 64 Cb 0.47 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 1gwp h ALA 64 CO 0.02 -0.39 -0.15 0.00 0.00 0.00 0.00 179.25 178.72 1gwp h ALA 65 N 0.91 -0.26 -0.69 0.00 0.00 -1.96 -1.17 119.26 116.10 1gwp h ALA 65 Ca 0.01 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.94 1gwp h ALA 65 Cb 0.10 0.23 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 1gwp h ALA 65 CO -0.00 -0.67 0.45 0.52 0.00 0.00 0.00 179.25 179.55 1gwp h MET 66 N -0.30 0.75 0.25 0.00 2.07 -0.53 -0.92 114.93 116.25 1gwp h MET 66 Ca 0.02 -0.05 -0.01 0.00 -2.07 0.00 0.00 59.70 57.59 1gwp h MET 66 Cb 0.31 -0.17 -0.00 0.00 -1.87 0.00 0.00 31.60 29.87 1gwp h MET 66 CO -0.07 0.50 -0.15 0.37 1.07 0.00 0.00 176.91 178.63 1gwp h GLN 67 N 0.77 -0.37 -0.91 1.72 4.15 0.68 -0.08 115.11 121.07 1gwp h GLN 67 Ca 0.28 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.73 1gwp h GLN 67 Cb 0.15 0.08 -0.04 0.00 0.21 0.00 0.00 27.48 27.88 1gwp h GLN 67 CO -0.09 -0.24 0.58 1.98 -1.93 0.00 0.00 178.83 179.13 1gwp h MET 68 N -0.38 1.21 -0.80 1.69 4.05 -0.71 -0.18 114.93 119.80 1gwp h MET 68 Ca -0.03 -0.09 0.01 0.00 -0.28 0.00 0.00 59.70 59.32 1gwp h MET 68 Cb 0.31 -0.26 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1gwp h MET 68 CO 0.03 0.82 0.53 1.25 0.23 0.00 0.00 176.91 179.77 1gwp h LEU 69 N 1.23 0.90 -0.09 3.39 6.46 -0.85 0.15 115.31 126.51 1gwp h LEU 69 Ca 0.33 -0.02 -0.02 0.00 -0.12 0.00 0.00 57.88 58.04 1gwp h LEU 69 Cb -0.11 -0.22 -0.00 0.00 -0.73 0.00 0.00 40.66 39.60 1gwp h LEU 69 CO -0.07 0.65 -0.04 0.11 -0.62 0.00 0.00 178.44 178.48 1gwp h LYS 70 N 1.06 0.19 -0.39 1.25 1.79 -0.00 -0.49 116.57 119.97 1gwp h LYS 70 Ca 0.30 -0.08 0.05 0.00 -2.18 0.00 0.00 60.65 58.74 1gwp h LYS 70 Cb -0.10 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.50 1gwp h LYS 70 CO -0.07 0.53 0.11 1.49 -1.08 0.00 0.00 179.45 180.44 1gwp h GLU 71 N -0.17 0.25 0.99 3.15 4.81 -0.44 0.19 114.58 123.37 1gwp h GLU 71 Ca 0.02 -0.02 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 1gwp h GLU 71 Cb 0.47 -0.06 0.01 0.00 0.63 0.00 0.00 28.75 29.80 1gwp h GLU 71 CO 0.01 0.17 -0.48 1.15 -0.73 0.00 0.00 179.01 179.13 1gwp h THR 72 N 0.26 0.00 -0.75 0.32 2.02 -0.68 -0.19 112.91 113.89 1gwp h THR 72 Ca 0.18 -0.02 0.17 0.00 0.77 0.00 0.00 66.41 67.51 1gwp h THR 72 Cb 0.19 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.47 1gwp h THR 72 CO -0.21 0.00 0.03 0.40 0.37 0.00 0.00 175.52 176.11 1gwp h ILE 73 N -1.35 0.37 -1.00 3.11 2.04 -0.90 0.97 117.51 120.75 1gwp h ILE 73 Ca -0.14 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.75 1gwp h ILE 73 Cb 1.02 0.23 -0.07 0.00 -0.74 0.00 0.00 36.82 37.27 1gwp h ILE 73 CO 0.22 0.02 0.64 -1.13 0.00 0.00 0.00 178.15 177.91 1gwp h ASN 74 N 0.12 1.02 0.55 1.72 -1.24 -0.38 0.60 115.58 117.96 1gwp h ASN 74 Ca 0.41 0.02 -0.03 0.00 0.71 0.00 0.00 56.30 57.41 1gwp h ASN 74 Cb 0.72 -0.20 0.01 0.00 0.73 0.00 0.00 38.32 39.58 1gwp h ASN 74 CO -0.64 0.63 -0.26 -0.33 -1.29 0.00 0.00 177.43 175.55 1gwp h GLU 75 N 1.14 -0.71 -0.99 6.67 5.08 0.27 -1.32 114.58 124.72 1gwp h GLU 75 Ca 0.44 0.05 0.22 0.00 -1.00 0.00 0.00 59.36 59.07 1gwp h GLU 75 Cb 0.21 0.16 -0.10 0.00 0.50 0.00 0.00 28.75 29.52 1gwp h GLU 75 CO -0.19 -0.40 0.62 1.49 -1.00 0.00 0.00 179.01 179.54 1gwp h GLU 76 N -0.97 0.55 0.07 2.33 4.57 -0.11 0.17 114.58 121.19 1gwp h GLU 76 Ca -0.07 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1gwp h GLU 76 Cb 0.63 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1gwp h GLU 76 CO 0.12 0.36 -0.03 0.00 -1.18 0.00 0.00 179.01 178.28 1gwp h ALA 77 N 1.64 -0.10 -0.33 2.92 0.00 -0.70 0.14 119.26 122.83 1gwp h ALA 77 Ca 0.57 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1gwp h ALA 77 Cb 1.17 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.94 1gwp h ALA 77 CO -0.32 -0.47 0.03 0.00 0.00 0.00 0.00 179.25 178.49 1gwp h ALA 78 N 0.65 0.32 -0.89 0.00 0.00 0.33 0.28 119.26 119.94 1gwp h ALA 78 Ca -0.01 0.08 0.04 0.00 0.00 0.00 0.00 54.91 55.02 1gwp h ALA 78 Cb 0.23 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1gwp h ALA 78 CO 0.02 -0.38 0.58 0.93 0.00 0.00 0.00 179.25 180.40 1gwp h GLU 79 N 0.13 1.08 0.50 0.00 3.07 -0.60 0.40 114.58 119.16 1gwp h GLU 79 Ca 0.16 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.36 58.94 1gwp h GLU 79 Cb 0.20 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 27.85 1gwp h GLU 79 CO -0.24 0.72 -0.38 2.35 -1.40 0.00 0.00 179.01 180.05 1gwp h TRP 80 N 1.12 -1.02 -0.30 4.33 2.91 0.61 0.16 115.95 123.76 1gwp h TRP 80 Ca 0.36 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.43 1gwp h TRP 80 Cb 0.02 0.38 -0.01 0.00 -0.51 0.00 0.00 29.16 29.03 1gwp h TRP 80 CO -0.02 -0.55 0.20 0.22 -1.03 0.00 0.00 178.44 177.27 1gwp h ASP 81 N -0.86 0.14 -0.54 2.65 1.82 -0.53 1.83 116.42 120.92 1gwp h ASP 81 Ca -0.05 -0.00 -0.00 0.00 -0.39 0.00 0.00 57.03 56.58 1gwp h ASP 81 Cb 0.73 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.68 1gwp h ASP 81 CO 0.01 0.09 0.33 -0.09 -1.61 0.00 0.00 179.24 177.97 1gwp h ARG 82 N 0.16 0.74 -0.01 0.28 1.12 0.12 -2.18 114.38 114.62 1gwp h ARG 82 Ca 0.13 -0.07 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1gwp h ARG 82 Cb 0.33 -0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.14 1gwp h ARG 82 CO -0.02 0.54 -0.48 1.28 -3.11 0.00 0.00 179.97 178.18 1gwp n LEU 83 N -4.66 1.30 -4.05 3.80 4.77 -0.10 -4.66 117.00 113.40 1gwp n LEU 83 Ca 0.03 -0.43 -0.34 0.00 -0.03 0.00 0.00 56.01 55.24 1gwp n LEU 83 Cb 0.06 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 40.94 1gwp n LEU 83 CO 0.36 0.26 -0.14 -1.00 -1.33 0.00 0.00 177.39 175.54 1gwp s HIS 84 N -2.64 3.47 0.74 -1.77 3.76 0.61 -5.07 115.29 114.39 1gwp s HIS 84 Ca 0.18 -2.82 -0.11 0.00 -0.15 0.00 0.00 55.06 52.16 1gwp s HIS 84 Cb 0.18 -3.06 0.03 0.00 1.11 0.00 0.00 32.58 30.85 1gwp s HIS 84 CO 0.62 -0.87 1.08 -1.25 -0.85 0.00 0.00 174.74 173.46 1gwp s PRO 85 N 0.36 2.57 -0.39 8.40 0.04 -1.25 -4.40 135.00 140.33 1gwp s PRO 85 Ca 0.14 0.82 0.02 0.00 0.04 0.00 0.00 61.00 62.02 1gwp s PRO 85 Cb -0.22 -1.96 0.29 0.00 0.04 0.00 0.00 34.50 32.65 1gwp s PRO 85 CO -0.04 -1.32 1.18 1.55 0.04 0.00 0.00 177.00 178.41 1gwp n VAL 86 N -3.26 0.00 -3.01 -0.36 3.14 -1.26 -4.95 118.33 108.63 1gwp n VAL 86 Ca 0.07 -0.98 -0.15 0.00 -2.96 0.00 0.00 64.34 60.33 1gwp n VAL 86 Cb 0.55 1.24 -0.01 0.00 -1.06 0.00 0.00 33.84 34.56 1gwp n VAL 86 CO 0.00 0.00 0.00 1.41 -6.46 0.00 0.00 176.83 171.78 1gwp n HIS 87 N 1.14 0.53 -2.72 1.45 8.25 -1.26 -4.98 115.22 117.63 1gwp n HIS 87 Ca 0.02 -3.47 0.02 0.00 -0.26 0.00 0.00 57.72 54.04 1gwp n HIS 87 Cb 0.70 -0.41 0.01 0.00 1.12 0.00 0.00 29.99 31.41 1gwp n HIS 87 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1gwp s ALA 88 N -2.67 -4.91 0.00 -1.41 0.00 -1.26 -5.10 121.76 106.41 1gwp s ALA 88 Ca 0.36 1.54 0.00 0.00 0.00 0.00 0.00 51.96 53.85 1gwp s ALA 88 Cb 0.39 -3.07 0.00 0.00 0.00 0.00 0.00 23.12 20.44 1gwp s ALA 88 CO -0.04 -2.52 0.00 0.41 0.00 0.00 0.00 175.76 173.61 1gwp n GLY 89 N 3.69 0.88 3.55 0.00 0.00 -1.26 -5.06 105.19 106.99 1gwp n GLY 89 Ca 0.05 -0.25 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 0.00 3.00 0.49 1.61 0.04 -1.26 -4.97 135.00 133.91 1gwp s PRO 90 Ca 0.00 -0.27 -0.20 0.00 0.04 0.00 0.00 61.00 60.56 1gwp s PRO 90 Cb 0.00 -4.75 -0.08 0.00 0.04 0.00 0.00 34.50 29.71 1gwp s PRO 90 CO 0.00 -2.60 1.06 0.42 0.04 0.00 0.00 177.00 175.92 1gwp s ILE 91 N 7.40 3.62 0.62 0.56 1.01 -1.26 -4.98 121.20 128.18 1gwp s ILE 91 Ca 0.54 1.03 -0.18 0.00 0.00 0.00 0.00 60.65 62.04 1gwp s ILE 91 Cb -0.07 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.92 1gwp s ILE 91 CO 0.06 -0.20 0.78 0.00 0.00 0.00 0.00 174.94 175.59 1gwp n ALA 92 N -0.97 -0.44 -2.32 9.38 0.00 -1.26 -4.80 120.51 120.10 1gwp n ALA 92 Ca 0.09 -0.05 -0.35 0.00 0.00 0.00 0.00 53.44 53.14 1gwp n ALA 92 Cb 0.52 -2.00 -0.04 0.00 0.00 0.00 0.00 19.45 17.93 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 -2.62 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 132.44 1gwp s PRO 93 Ca 0.73 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.67 1gwp s PRO 93 Cb -0.41 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.84 1gwp s PRO 93 CO 0.50 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 175.03 1gwp n GLY 94 N 6.32 0.20 0.00 0.56 0.00 -1.26 -5.07 105.19 105.94 1gwp n GLY 94 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1gwp n GLY 94 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1gwp n GLN 95 N 0.00 0.00 0.00 1.61 3.00 -0.79 -5.00 117.38 116.21 1gwp n GLN 95 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1gwp n GLN 95 Cb 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 30.24 29.73 1gwp n GLN 95 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1gwp n MET 96 N -0.30 0.00 -1.16 -1.09 0.00 -1.26 -5.07 117.12 108.24 1gwp n MET 96 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 57.70 57.41 1gwp n MET 96 Cb 0.00 0.00 0.24 0.00 0.00 0.00 0.00 33.22 33.46 1gwp n MET 96 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1gwp n ARG 97 N 0.00 -2.77 -3.15 2.12 1.74 -1.26 -5.03 116.66 108.31 1gwp n ARG 97 Ca 0.00 -1.75 -0.22 0.00 -0.77 0.00 0.00 57.85 55.11 1gwp n ARG 97 Cb 0.00 -1.55 -0.04 0.00 -1.02 0.00 0.00 32.46 29.85 1gwp n ARG 97 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1gwp n GLU 98 N -4.57 1.53 -0.82 5.56 4.71 -1.26 -4.97 120.64 120.81 1gwp n GLU 98 Ca 0.15 -3.77 -0.15 0.00 -0.01 0.00 0.00 57.16 53.38 1gwp n GLU 98 Cb 0.57 -1.77 -0.10 0.00 -1.01 0.00 0.00 31.44 29.14 1gwp n GLU 98 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 1gwp n PRO 99 N 0.43 1.89 -1.67 3.49 -0.04 -1.26 -4.89 135.00 132.94 1gwp n PRO 99 Ca 0.26 -1.06 -0.65 0.00 -0.04 0.00 0.00 63.50 62.01 1gwp n PRO 99 Cb 0.56 -2.10 -0.09 0.00 -0.04 0.00 0.00 33.50 31.83 1gwp n PRO 99 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1gwp n ARG 100 N 3.03 0.02 0.00 0.54 1.74 -1.26 -2.32 116.66 118.41 1gwp n ARG 100 Ca 0.41 0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.49 1gwp n ARG 100 Cb 0.53 -1.51 0.00 0.00 -1.02 0.00 0.00 32.46 30.46 1gwp n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1gwp n GLY 101 N 3.24 1.10 0.52 -0.13 0.00 -1.26 -3.75 105.19 104.91 1gwp n GLY 101 Ca 0.28 -1.06 0.41 0.00 0.00 0.00 0.00 46.02 45.64 1gwp n GLY 101 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1gwp h SER 102 N 0.00 0.17 -0.23 1.61 0.02 -1.79 1.56 113.55 114.90 1gwp h SER 102 Ca 0.00 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 1gwp h SER 102 Cb 0.00 0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.63 1gwp h SER 102 CO 0.00 -0.18 0.06 -0.78 -1.14 0.00 0.00 176.83 174.79 1gwp h ASP 103 N 0.04 0.04 0.23 3.07 3.58 -1.74 0.24 116.42 121.87 1gwp h ASP 103 Ca 0.86 0.03 0.00 0.00 0.42 0.00 0.00 57.03 58.34 1gwp h ASP 103 Cb 2.90 0.04 0.00 0.00 1.72 0.00 0.00 39.33 43.99 1gwp h ASP 103 CO -0.35 0.05 0.00 0.40 -2.88 0.00 0.00 179.24 176.46 1gwp h ILE 104 N 0.15 0.00 0.00 2.25 2.04 0.20 0.23 117.51 122.39 1gwp h ILE 104 Ca 0.10 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.80 1gwp h ILE 104 Cb 0.09 0.85 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 1gwp h ILE 104 CO -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 178.15 177.71 1gwp h ALA 105 N 2.04 0.83 -0.01 1.87 0.00 -0.02 -3.44 119.26 120.52 1gwp h ALA 105 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1gwp h ALA 105 Cb 0.11 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.85 1gwp h ALA 105 CO 0.00 0.40 -0.00 0.41 0.00 0.00 0.00 179.25 180.05 1gwp n GLY 106 N 0.93 0.46 0.15 0.00 0.00 0.82 -4.90 105.19 102.66 1gwp n GLY 106 Ca 0.02 -0.13 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 1.42 0.00 2.61 2.02 -1.77 -3.33 112.91 113.86 1gwp h THR 107 Ca -0.01 -2.47 -0.11 0.00 0.77 0.00 0.00 66.41 64.60 1gwp h THR 107 Cb 0.09 2.42 -0.02 0.00 -1.74 0.00 0.00 68.15 68.90 1gwp h THR 107 CO 0.01 0.73 -1.86 1.07 0.37 0.00 0.00 175.52 175.84 1gwp n THR 108 N -3.73 0.40 -4.18 3.16 5.66 -1.26 -4.99 114.28 109.33 1gwp n THR 108 Ca -0.06 -0.48 -0.23 0.00 -3.05 0.00 0.00 64.05 60.23 1gwp n THR 108 Cb 0.82 -0.15 -0.07 0.00 -1.55 0.00 0.00 70.33 69.39 1gwp n THR 108 CO 0.00 0.00 0.00 -0.94 -3.05 0.00 0.00 175.07 171.08 1gwp s SER 109 N -4.26 4.68 0.00 1.09 1.04 -1.25 -5.08 113.70 109.91 1gwp s SER 109 Ca -0.07 -0.69 0.00 0.00 0.48 0.00 0.00 55.95 55.67 1gwp s SER 109 Cb 0.08 -0.82 0.00 0.00 0.10 0.00 0.00 66.02 65.39 1gwp s SER 109 CO 0.66 -0.17 0.00 0.35 0.98 0.00 0.00 173.24 175.06 1gwp n THR 110 N -1.05 0.00 0.17 2.02 -2.24 -1.26 -4.41 114.28 107.51 1gwp n THR 110 Ca -0.05 0.00 -0.14 0.00 -2.27 0.00 0.00 64.05 61.60 1gwp n THR 110 Cb 0.60 -0.70 -0.08 0.00 -2.10 0.00 0.00 70.33 68.05 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 -0.36 -0.68 3.22 5.85 -1.99 -1.02 115.31 120.33 1gwp h LEU 111 Ca 0.00 -0.14 0.15 0.00 0.84 0.00 0.00 57.88 58.73 1gwp h LEU 111 Cb 0.00 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.01 1gwp h LEU 111 CO 0.00 -0.06 0.03 -0.61 -0.34 0.00 0.00 178.44 177.46 1gwp h GLN 112 N -0.69 0.13 -0.69 1.25 4.15 -1.99 0.25 115.11 117.53 1gwp h GLN 112 Ca -0.04 -0.01 -0.00 0.00 0.77 0.00 0.00 58.65 59.37 1gwp h GLN 112 Cb 0.48 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 28.11 1gwp h GLN 112 CO 0.07 0.09 0.42 0.93 -1.93 0.00 0.00 178.83 178.41 1gwp h GLU 113 N 0.14 0.93 -0.33 1.69 3.07 -1.92 -0.10 114.58 118.05 1gwp h GLU 113 Ca 0.37 -0.08 0.05 0.00 -0.50 0.00 0.00 59.36 59.19 1gwp h GLU 113 Cb 0.62 -0.20 -0.04 0.00 -0.84 0.00 0.00 28.75 28.29 1gwp h GLU 113 CO -0.57 0.65 0.07 0.37 -1.40 0.00 0.00 179.01 178.13 1gwp h GLN 114 N 0.93 0.19 -0.05 2.33 5.75 0.78 0.10 115.11 125.14 1gwp h GLN 114 Ca 0.25 -0.01 -0.05 0.00 -0.15 0.00 0.00 58.65 58.68 1gwp h GLN 114 Cb -0.04 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1gwp h GLN 114 CO -0.05 0.12 -0.21 0.82 -2.65 0.00 0.00 178.83 176.87 1gwp h ILE 115 N 0.19 1.18 0.79 2.39 5.03 -0.58 -0.95 117.51 125.56 1gwp h ILE 115 Ca 0.15 -0.82 -0.04 0.00 -0.12 0.00 0.00 64.86 64.03 1gwp h ILE 115 Cb 0.16 1.37 0.01 0.00 -3.03 0.00 0.00 36.82 35.33 1gwp h ILE 115 CO -0.19 0.24 -0.38 1.23 -0.68 0.00 0.00 178.15 178.37 1gwp h GLY 116 N 0.73 -1.11 1.10 5.37 0.00 0.89 1.05 103.07 111.10 1gwp h GLY 116 Ca 0.01 0.41 0.06 0.00 0.00 0.00 0.00 47.33 47.82 1gwp h GLY 116 CO 0.03 -0.40 0.45 1.49 0.00 0.00 0.00 176.54 178.10 1gwp h TRP 117 N -1.09 0.71 0.00 5.60 6.55 -1.17 0.63 115.95 127.18 1gwp h TRP 117 Ca -0.11 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.75 1gwp h TRP 117 Cb 0.82 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.88 1gwp h TRP 117 CO 0.04 0.38 0.00 -0.12 -1.05 0.00 0.00 178.44 177.70 1gwp n MET 118 N -4.48 0.16 -0.17 0.49 1.56 -0.37 -0.51 117.12 113.81 1gwp n MET 118 Ca 0.10 0.25 0.09 0.00 -0.27 0.00 0.00 57.70 57.87 1gwp n MET 118 Cb 0.22 -1.74 0.16 0.00 2.15 0.00 0.00 33.22 34.01 1gwp n MET 118 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1gwp n THR 119 N -2.03 1.97 -4.25 1.12 -1.04 0.36 -4.51 114.28 105.89 1gwp n THR 119 Ca 0.04 -2.39 -0.24 0.00 -2.04 0.00 0.00 64.05 59.43 1gwp n THR 119 Cb 0.32 -0.24 -0.08 0.00 -1.82 0.00 0.00 70.33 68.51 1gwp n THR 119 CO 0.00 0.00 0.00 -2.28 -0.64 0.00 0.00 175.07 172.15 1gwp s HIS 120 N -2.93 2.60 -0.22 -1.42 5.04 0.11 -4.95 115.29 113.52 1gwp s HIS 120 Ca 0.34 -0.42 -0.06 0.00 -1.54 0.00 0.00 55.06 53.38 1gwp s HIS 120 Cb 0.30 -1.55 -0.02 0.00 0.04 0.00 0.00 32.58 31.35 1gwp s HIS 120 CO 0.02 0.43 0.01 -0.80 -2.34 0.00 0.00 174.74 172.06 1gwp s ASN 121 N -3.76 4.79 0.85 9.88 -0.87 -1.26 -0.26 114.94 124.31 1gwp s ASN 121 Ca 0.36 -0.25 -0.12 0.00 -1.57 0.00 0.00 52.86 51.28 1gwp s ASN 121 Cb -0.01 -1.84 0.10 0.00 -0.02 0.00 0.00 41.25 39.48 1gwp s ASN 121 CO 0.20 0.01 1.11 -2.16 -2.57 0.00 0.00 177.10 173.70 1gwp s PRO 122 N 1.34 1.68 -0.20 -0.60 0.04 -1.26 -5.08 135.00 130.93 1gwp s PRO 122 Ca 0.04 0.49 -0.29 0.00 0.04 0.00 0.00 61.00 61.28 1gwp s PRO 122 Cb -0.15 -1.88 -0.01 0.00 0.04 0.00 0.00 34.50 32.50 1gwp s PRO 122 CO 0.01 -1.87 1.29 -1.25 0.04 0.00 0.00 177.00 175.23 1gwp s PRO 123 N -5.21 4.14 -0.26 0.56 0.04 0.64 -4.92 135.00 130.00 1gwp s PRO 123 Ca 0.62 1.57 -0.27 0.00 0.04 0.00 0.00 61.00 62.96 1gwp s PRO 123 Cb -0.15 -3.81 0.01 0.00 0.04 0.00 0.00 34.50 30.60 1gwp s PRO 123 CO 0.54 -0.83 0.96 0.42 0.04 0.00 0.00 177.00 178.12 1gwp s ILE 124 N 3.78 4.71 0.00 0.56 1.01 0.33 -4.91 121.20 126.68 1gwp s ILE 124 Ca 0.56 1.75 -0.03 0.00 0.00 0.00 0.00 60.65 62.93 1gwp s ILE 124 Cb -0.21 -4.25 -0.13 0.00 0.01 0.00 0.00 42.46 37.88 1gwp s ILE 124 CO 0.17 -0.21 2.36 -0.81 0.00 0.00 0.00 174.94 176.45 1gwp n PRO 125 N 6.31 1.23 -0.08 2.79 -0.04 -1.26 -3.83 135.00 140.12 1gwp n PRO 125 Ca 0.09 -0.48 0.24 0.00 -0.04 0.00 0.00 63.50 63.31 1gwp n PRO 125 Cb 0.47 -1.61 0.71 0.00 -0.04 0.00 0.00 33.50 33.03 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 1.89 0.61 0.02 0.52 3.04 -1.90 0.29 116.25 120.73 1gwp h VAL 126 Ca 0.09 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.78 1gwp h VAL 126 Cb 1.00 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 30.92 1gwp h VAL 126 CO 0.19 0.00 -0.01 1.23 -1.01 0.00 0.00 177.57 177.97 1gwp h GLY 127 N 0.00 -0.04 0.02 3.17 0.00 -1.81 -1.28 103.07 103.13 1gwp h GLY 127 Ca 0.33 0.01 0.25 0.00 0.00 0.00 0.00 47.33 47.92 1gwp h GLY 127 CO -0.00 -0.01 0.66 -2.09 0.00 0.00 0.00 176.54 175.09 1gwp h GLU 128 N -0.06 0.34 0.58 4.80 4.81 -1.66 0.30 114.58 123.69 1gwp h GLU 128 Ca -0.00 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1gwp h GLU 128 Cb 0.03 -0.08 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1gwp h GLU 128 CO 0.01 0.23 -0.28 0.82 -0.73 0.00 0.00 179.01 179.05 1gwp h ILE 129 N 0.35 0.38 -0.90 2.32 2.04 -0.49 -0.69 117.51 120.52 1gwp h ILE 129 Ca 0.54 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 66.24 1gwp h ILE 129 Cb 1.45 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.92 1gwp h ILE 129 CO -0.22 0.03 0.59 0.22 0.00 0.00 0.00 178.15 178.77 1gwp h TYR 130 N -0.92 1.07 -0.48 1.37 3.20 0.21 0.07 116.97 121.48 1gwp h TYR 130 Ca -0.08 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.84 1gwp h TYR 130 Cb 0.65 -0.35 -0.03 0.00 1.54 0.00 0.00 36.73 38.53 1gwp h TYR 130 CO -0.01 0.59 0.29 -0.22 -1.64 0.00 0.00 178.16 177.17 1gwp h LYS 131 N 1.08 0.57 -0.32 1.82 3.11 -0.32 0.24 116.57 122.75 1gwp h LYS 131 Ca 0.37 -0.03 -0.08 0.00 -2.81 0.00 0.00 60.65 58.09 1gwp h LYS 131 Cb 0.10 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 31.19 1gwp h LYS 131 CO -0.12 0.38 -0.15 -0.09 -2.81 0.00 0.00 179.45 176.65 1gwp h ARG 132 N 0.59 0.56 0.59 1.90 2.43 -0.12 -0.69 114.38 119.63 1gwp h ARG 132 Ca 0.19 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 1gwp h ARG 132 Cb -0.00 -0.05 0.01 0.00 -0.42 0.00 0.00 29.97 29.51 1gwp h ARG 132 CO -0.08 0.70 -0.28 -1.49 -1.51 0.00 0.00 179.97 177.31 1gwp h TRP 133 N 0.51 -0.73 -0.67 2.20 4.06 -0.05 0.42 115.95 121.69 1gwp h TRP 133 Ca 0.09 -0.02 0.13 0.00 2.06 0.00 0.00 58.89 61.15 1gwp h TRP 133 Cb 0.56 0.24 -0.13 0.00 -1.00 0.00 0.00 29.16 28.84 1gwp h TRP 133 CO 0.02 -0.45 -0.17 0.82 -3.56 0.00 0.00 178.44 175.09 1gwp h ILE 134 N -0.94 0.33 0.00 1.49 2.04 -0.54 1.57 117.51 121.46 1gwp h ILE 134 Ca -0.08 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.76 1gwp h ILE 134 Cb 0.60 0.33 -0.00 0.00 -0.74 0.00 0.00 36.82 37.01 1gwp h ILE 134 CO 0.13 0.00 -0.08 -0.29 0.00 0.00 0.00 178.15 177.92 1gwp h ILE 135 N -0.00 0.96 -0.03 -0.67 6.09 -1.05 0.43 117.51 123.25 1gwp h ILE 135 Ca 0.32 -0.27 -0.00 0.00 -1.37 0.00 0.00 64.86 63.54 1gwp h ILE 135 Cb 0.49 1.15 -0.00 0.00 0.47 0.00 0.00 36.82 38.93 1gwp h ILE 135 CO -0.69 0.08 0.01 0.25 -3.07 0.00 0.00 178.15 174.73 1gwp h LEU 136 N 0.00 0.03 -0.06 2.19 6.46 0.68 0.25 115.31 124.86 1gwp h LEU 136 Ca -0.00 -0.08 -0.02 0.00 -0.12 0.00 0.00 57.88 57.66 1gwp h LEU 136 Cb 0.14 -0.01 -0.00 0.00 -0.73 0.00 0.00 40.66 40.06 1gwp h LEU 136 CO 0.01 0.10 -0.03 1.23 -0.62 0.00 0.00 178.44 179.13 1gwp h GLY 137 N -0.04 0.14 0.33 3.75 0.00 -0.42 -1.48 103.07 105.35 1gwp h GLY 137 Ca 0.01 -0.13 0.09 0.00 0.00 0.00 0.00 47.33 47.31 1gwp h GLY 137 CO -0.00 0.12 0.16 1.41 0.00 0.00 0.00 176.54 178.23 1gwp h LEU 138 N -0.26 0.10 -0.29 3.11 3.38 -0.88 0.48 115.31 120.96 1gwp h LEU 138 Ca 0.01 0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1gwp h LEU 138 Cb 0.48 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 1gwp h LEU 138 CO 0.01 0.07 0.18 -1.13 0.09 0.00 0.00 178.44 177.66 1gwp h ASN 139 N 0.31 0.30 -0.57 -0.43 -0.73 -0.45 0.29 115.58 114.31 1gwp h ASN 139 Ca 0.29 -0.00 0.02 0.00 1.87 0.00 0.00 56.30 58.47 1gwp h ASN 139 Cb 0.38 -0.07 -0.03 0.00 0.27 0.00 0.00 38.32 38.87 1gwp h ASN 139 CO -0.33 0.22 0.38 0.50 -0.37 0.00 0.00 177.43 177.83 1gwp h LYS 140 N 0.37 0.69 -0.02 6.67 3.64 -0.01 0.16 116.57 128.07 1gwp h LYS 140 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.44 1gwp h LYS 140 Cb -0.03 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 1gwp h LYS 140 CO -0.04 0.46 -0.01 0.82 -2.27 0.00 0.00 179.45 178.41 1gwp h ILE 141 N 0.72 1.33 0.00 2.00 2.04 0.11 -1.59 117.51 122.11 1gwp h ILE 141 Ca 0.22 -0.98 -0.00 0.00 1.00 0.00 0.00 64.86 65.10 1gwp h ILE 141 Cb 0.00 1.95 -0.00 0.00 -0.74 0.00 0.00 36.82 38.04 1gwp h ILE 141 CO -0.05 0.26 -0.00 0.58 0.00 0.00 0.00 178.15 178.93 1gwp h VAL 142 N -0.36 0.68 -0.02 1.67 2.07 0.23 0.66 116.25 121.17 1gwp h VAL 142 Ca 0.00 -0.01 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1gwp h VAL 142 Cb 0.43 1.01 -0.00 0.00 -1.52 0.00 0.00 31.29 31.20 1gwp h VAL 142 CO 0.00 0.00 -0.03 -0.09 0.02 0.00 0.00 177.57 177.48 1gwp h ARG 143 N 0.00 0.05 0.00 1.57 2.43 -0.35 -1.82 114.38 116.26 1gwp h ARG 143 Ca -0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 1gwp h ARG 143 Cb 0.01 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.56 1gwp h ARG 143 CO 0.00 0.57 0.00 0.00 -1.51 0.00 0.00 179.97 179.03 1gwp h MET 144 N -0.47 0.00 0.05 0.20 -0.00 -0.46 -3.16 114.93 111.09 1gwp h MET 144 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 59.70 59.70 1gwp h MET 144 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 32.17 1gwp h MET 144 CO 0.01 0.00 -0.02 -0.92 -0.00 0.00 0.00 176.91 175.97 1gwp h TYR 145 N 0.00 -0.06 -6.34 -0.10 3.20 -0.78 -3.49 116.97 109.40 1gwp h TYR 145 Ca 0.00 -0.00 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1gwp h TYR 145 Cb 0.45 0.02 0.01 0.00 1.54 0.00 0.00 36.73 38.75 1gwp h TYR 145 CO 0.00 0.44 -1.10 0.45 -1.64 0.00 0.00 178.16 176.30 1gwp n SER 146 N -4.76 -5.72 -4.80 -2.11 2.88 -0.69 -4.91 113.62 93.51 1gwp n SER 146 Ca -0.06 0.06 -0.29 0.00 -1.33 0.00 0.00 58.87 57.24 1gwp n SER 146 Cb 0.26 -1.53 0.11 0.00 -0.75 0.00 0.00 64.21 62.30 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 -1.81 1.67 0.24 -1.46 0.04 -1.26 -5.02 135.00 127.40 1gwp s PRO 147 Ca 0.23 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.75 1gwp s PRO 147 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1gwp s PRO 147 CO 0.51 -1.88 0.00 2.41 0.04 0.00 0.00 177.00 178.08 1gwp n THR 148 N -3.58 0.18 -2.74 1.26 -1.04 -1.26 -5.05 114.28 102.04 1gwp n THR 148 Ca 0.07 0.06 -0.04 0.00 -2.04 0.00 0.00 64.05 62.10 1gwp n THR 148 Cb 0.58 -0.62 0.02 0.00 -1.82 0.00 0.00 70.33 68.48 1gwp n THR 148 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1gwp n SER 149 N -3.39 -3.07 -0.08 8.00 7.64 -1.26 -4.99 113.62 116.47 1gwp n SER 149 Ca 0.00 -2.59 -0.13 0.00 1.01 0.00 0.00 58.87 57.16 1gwp n SER 149 Cb 0.00 1.57 -0.14 0.00 -1.01 0.00 0.00 64.21 64.63 1gwp n SER 149 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gwp n ILE 150 N 2.79 1.51 -0.97 0.44 3.06 -1.26 -5.34 119.36 119.58 1gwp n ILE 150 Ca 0.16 -0.74 0.00 0.00 -2.50 0.00 0.00 62.75 59.67 1gwp n ILE 150 Cb 0.58 -0.99 0.00 0.00 0.54 0.00 0.00 39.64 39.77 1gwp n ILE 150 CO 0.00 0.00 0.00 -0.11 -2.50 0.00 0.00 176.55 173.94