#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 2.80 0.19 0.52 1.01 -1.21 -1.69 121.20 122.81 1gwp s ILE 2 Ca 0.00 -1.83 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 1gwp s ILE 2 Cb 0.00 -2.37 -0.00 0.00 0.01 0.00 0.00 42.46 40.10 1gwp s ILE 2 CO 0.00 -0.11 0.37 0.68 0.00 0.00 0.00 174.94 175.88 1gwp s VAL 3 N -1.68 0.04 -0.08 2.92 -7.23 0.38 -4.94 120.40 109.81 1gwp s VAL 3 Ca 0.23 -1.28 -0.00 0.00 -1.81 0.00 0.00 61.98 59.11 1gwp s VAL 3 Cb -0.08 -1.88 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 1gwp s VAL 3 CO 0.13 -0.19 -0.06 0.00 -0.31 0.00 0.00 175.10 174.66 1gwp s GLN 4 N -3.96 2.91 -1.38 4.82 -2.07 -1.26 0.12 119.66 118.83 1gwp s GLN 4 Ca 0.17 -0.53 -0.09 0.00 -1.82 0.00 0.00 55.36 53.09 1gwp s GLN 4 Cb 0.02 -2.65 0.09 0.00 -1.09 0.00 0.00 33.01 29.38 1gwp s GLN 4 CO 0.01 0.60 2.26 0.27 -1.32 0.00 0.00 175.29 177.11 1gwp n ASN 5 N 2.42 6.28 0.00 12.60 0.23 -0.66 -4.63 115.26 131.50 1gwp n ASN 5 Ca -0.18 -2.99 0.00 0.00 -0.53 0.00 0.00 54.58 50.88 1gwp n ASN 5 Cb 0.53 -1.49 0.00 0.00 -2.08 0.00 0.00 39.78 36.74 1gwp n ASN 5 CO 0.00 0.00 0.00 -0.11 -0.93 0.00 0.00 177.26 176.22 1gwp n LEU 6 N 3.62 0.00 0.00 -4.53 7.94 -1.26 -3.05 117.00 119.71 1gwp n LEU 6 Ca 0.54 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.44 1gwp n LEU 6 Cb 0.31 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.26 1gwp n LEU 6 CO 0.80 0.00 0.00 0.00 -1.11 0.00 0.00 177.39 177.08 1gwp n GLN 7 N 0.00 0.00 0.03 1.96 0.00 -1.26 -4.97 117.38 113.13 1gwp n GLN 7 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 57.00 57.19 1gwp n GLN 7 Cb 0.00 0.00 0.46 0.00 0.00 0.00 0.00 30.24 30.70 1gwp n GLN 7 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.06 177.84 1gwp h GLY 8 N 0.00 0.00 0.00 2.61 0.00 -1.94 -3.43 103.07 100.31 1gwp h GLY 8 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1gwp h GLY 8 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 1gwp n GLN 9 N -3.16 0.00 -3.45 4.80 6.02 -1.26 -5.04 117.38 115.29 1gwp n GLN 9 Ca 0.12 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.74 1gwp n GLN 9 Cb 1.09 0.00 -0.07 0.00 1.02 0.00 0.00 30.24 32.28 1gwp n GLN 9 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1gwp s MET 10 N -2.00 4.28 0.12 -1.09 -2.45 -1.26 -1.66 119.30 115.24 1gwp s MET 10 Ca 0.00 0.21 0.06 0.00 -1.25 0.00 0.00 55.69 54.71 1gwp s MET 10 Cb 0.00 -3.44 -0.04 0.00 1.25 0.00 0.00 34.83 32.60 1gwp s MET 10 CO 0.00 0.19 -0.14 0.14 1.05 0.00 0.00 175.02 176.26 1gwp s VAL 11 N 0.59 1.32 0.23 10.11 -7.23 0.12 -4.98 120.40 120.57 1gwp s VAL 11 Ca 0.20 -1.72 -0.02 0.00 -1.81 0.00 0.00 61.98 58.62 1gwp s VAL 11 Cb -0.14 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.22 1gwp s VAL 11 CO 0.06 -0.43 0.45 -1.38 -0.31 0.00 0.00 175.10 173.50 1gwp s HIS 12 N -2.17 3.48 -0.36 2.82 -3.43 -1.26 -0.47 115.29 113.89 1gwp s HIS 12 Ca 0.09 0.46 0.05 0.00 -0.80 0.00 0.00 55.06 54.87 1gwp s HIS 12 Cb -0.05 -1.95 0.46 0.00 -1.43 0.00 0.00 32.58 29.61 1gwp s HIS 12 CO 0.03 0.30 1.33 0.94 -2.00 0.00 0.00 174.74 175.34 1gwp n GLN 13 N -0.73 3.45 -0.14 -0.38 7.27 -0.68 -4.91 117.38 121.25 1gwp n GLN 13 Ca -0.03 -4.04 0.02 0.00 0.07 0.00 0.00 57.00 53.01 1gwp n GLN 13 Cb 0.54 -2.28 -0.00 0.00 2.41 0.00 0.00 30.24 30.90 1gwp n GLN 13 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gwp n ALA 14 N -0.73 -0.85 -1.89 1.69 0.00 -1.26 -4.79 120.51 112.67 1gwp n ALA 14 Ca 0.47 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.81 1gwp n ALA 14 Cb 0.90 -0.25 0.12 0.00 0.00 0.00 0.00 19.45 20.22 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 -0.92 0.00 -4.37 0.00 3.06 -1.26 -4.06 119.36 111.80 1gwp n ILE 15 Ca 0.00 -0.77 -0.23 0.00 -2.50 0.00 0.00 62.75 59.25 1gwp n ILE 15 Cb 0.07 -1.48 -0.13 0.00 0.54 0.00 0.00 39.64 38.64 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 -4.04 2.24 0.13 9.51 0.15 -1.26 -5.03 113.70 115.40 1gwp s SER 16 Ca 0.48 -0.59 -0.05 0.00 0.70 0.00 0.00 55.95 56.48 1gwp s SER 16 Cb -0.02 -0.14 -0.07 0.00 -1.71 0.00 0.00 66.02 64.08 1gwp s SER 16 CO 0.33 0.06 1.33 1.55 1.20 0.00 0.00 173.24 177.71 1gwp h PRO 17 N 4.47 0.48 -0.31 5.44 0.13 -1.99 -1.65 132.00 138.58 1gwp h PRO 17 Ca -0.43 -0.47 -0.10 0.00 -0.87 0.00 0.00 66.00 64.13 1gwp h PRO 17 Cb 1.18 0.12 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 1gwp h PRO 17 CO 0.41 1.11 -0.23 -0.09 -0.23 0.00 0.00 178.00 178.98 1gwp h ARG 18 N 0.30 0.58 0.15 0.86 2.43 -1.97 0.45 114.38 117.18 1gwp h ARG 18 Ca -0.07 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1gwp h ARG 18 Cb 1.49 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 31.01 1gwp h ARG 18 CO 0.16 0.77 -0.07 1.15 -1.51 0.00 0.00 179.97 180.46 1gwp h THR 19 N 0.52 0.90 -0.73 0.20 2.02 -1.98 -1.48 112.91 112.36 1gwp h THR 19 Ca 0.08 -1.13 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 1gwp h THR 19 Cb 0.67 1.49 -0.03 0.00 -1.74 0.00 0.00 68.15 68.54 1gwp h THR 19 CO 0.05 0.23 0.39 -0.07 0.37 0.00 0.00 175.52 176.49 1gwp h LEU 20 N -0.83 0.90 0.67 2.58 3.38 -1.29 0.18 115.31 120.89 1gwp h LEU 20 Ca -0.02 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 1gwp h LEU 20 Cb 0.53 -0.23 0.01 0.00 0.09 0.00 0.00 40.66 41.06 1gwp h LEU 20 CO 0.03 0.73 -0.33 -1.13 0.09 0.00 0.00 178.44 177.83 1gwp h ASN 21 N 1.01 -0.79 -0.57 -0.43 -1.24 -0.13 0.26 115.58 113.70 1gwp h ASN 21 Ca 0.26 0.03 0.06 0.00 0.71 0.00 0.00 56.30 57.35 1gwp h ASN 21 Cb 0.03 0.21 -0.05 0.00 0.73 0.00 0.00 38.32 39.23 1gwp h ASN 21 CO -0.04 -0.56 0.28 0.00 -1.29 0.00 0.00 177.43 175.83 1gwp h ALA 22 N -0.58 0.74 0.25 1.57 0.00 -0.97 -0.05 119.26 120.21 1gwp h ALA 22 Ca -0.09 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1gwp h ALA 22 Cb 0.70 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 1gwp h ALA 22 CO 0.15 -0.07 -0.41 2.35 0.00 0.00 0.00 179.25 181.27 1gwp h TRP 23 N 0.53 -1.16 -0.91 0.00 2.91 -0.36 0.43 115.95 117.40 1gwp h TRP 23 Ca 0.26 0.02 0.26 0.00 1.13 0.00 0.00 58.89 60.55 1gwp h TRP 23 Cb 0.19 0.47 -0.14 0.00 -0.51 0.00 0.00 29.16 29.17 1gwp h TRP 23 CO -0.11 -0.50 0.32 0.28 -1.03 0.00 0.00 178.44 177.41 1gwp h VAL 24 N -0.69 0.31 -0.78 2.65 2.07 -0.04 1.26 116.25 121.03 1gwp h VAL 24 Ca -0.03 -0.08 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 1gwp h VAL 24 Cb 0.64 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1gwp h VAL 24 CO -0.14 0.04 0.47 0.50 0.02 0.00 0.00 177.57 178.47 1gwp h LYS 25 N 0.24 1.06 0.29 1.57 3.64 0.54 0.01 116.57 123.93 1gwp h LYS 25 Ca 0.60 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.87 1gwp h LYS 25 Cb 1.25 -0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.85 1gwp h LYS 25 CO -0.64 0.75 -0.14 0.28 -2.27 0.00 0.00 179.45 177.42 1gwp h VAL 26 N 1.07 0.00 -1.01 2.00 2.07 0.59 -1.17 116.25 119.80 1gwp h VAL 26 Ca 0.28 -0.05 0.38 0.00 0.82 0.00 0.00 66.70 68.13 1gwp h VAL 26 Cb -0.04 0.00 -0.17 0.00 -1.52 0.00 0.00 31.29 29.57 1gwp h VAL 26 CO -0.05 0.00 0.56 0.58 0.02 0.00 0.00 177.57 178.68 1gwp h VAL 27 N -0.44 0.13 -0.03 2.57 2.07 -0.65 2.13 116.25 122.02 1gwp h VAL 27 Ca -0.04 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1gwp h VAL 27 Cb 0.30 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.05 1gwp h VAL 27 CO 0.07 0.03 0.01 -0.33 0.02 0.00 0.00 177.57 177.37 1gwp h GLU 28 N 0.14 0.03 -0.29 1.57 4.39 -0.75 1.61 114.58 121.28 1gwp h GLU 28 Ca 0.80 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.50 1gwp h GLU 28 Cb 2.02 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 30.66 1gwp h GLU 28 CO -0.69 0.02 0.00 -1.91 -1.16 0.00 0.00 179.01 175.27 1gwp n GLU 29 N -5.08 1.82 0.00 2.33 2.13 0.35 -4.52 120.64 117.68 1gwp n GLU 29 Ca -0.06 -1.27 0.00 0.00 0.66 0.00 0.00 57.16 56.49 1gwp n GLU 29 Cb 0.03 -1.34 0.00 0.00 0.27 0.00 0.00 31.44 30.41 1gwp n GLU 29 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1gwp n LYS 30 N 0.51 0.00 -1.14 5.31 4.01 0.63 -5.03 118.16 122.45 1gwp n LYS 30 Ca 0.14 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.94 1gwp n LYS 30 Cb 0.33 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.85 1gwp n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1gwp n ALA 31 N -1.02 -0.35 -3.55 7.82 0.00 0.54 -4.37 120.51 119.58 1gwp n ALA 31 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 1gwp n ALA 31 Cb 0.00 -0.37 0.06 0.00 0.00 0.00 0.00 19.45 19.13 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 -1.10 -2.08 -2.08 0.00 3.01 -1.26 -4.99 117.46 108.95 1gwp n PHE 32 Ca 0.00 0.84 -0.28 0.00 1.01 0.00 0.00 57.45 59.03 1gwp n PHE 32 Cb 0.37 -4.50 0.11 0.00 -0.01 0.00 0.00 39.48 35.45 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 -4.15 4.22 0.00 4.37 1.04 -1.26 -4.75 113.70 113.17 1gwp s SER 33 Ca 0.11 0.41 0.24 0.00 0.48 0.00 0.00 55.95 57.18 1gwp s SER 33 Cb -0.02 -0.82 1.36 0.00 0.10 0.00 0.00 66.02 66.63 1gwp s SER 33 CO 0.78 -2.02 1.78 -0.81 0.98 0.00 0.00 173.24 173.95 1gwp n PRO 34 N -3.25 0.64 -0.22 4.02 -0.04 -1.26 -2.19 135.00 132.70 1gwp n PRO 34 Ca 0.11 0.02 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 1gwp n PRO 34 Cb 0.60 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.74 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 -1.07 2.07 -0.02 0.54 1.02 -1.26 -4.47 120.64 117.45 1gwp n GLU 35 Ca 0.16 -2.61 0.02 0.00 -0.02 0.00 0.00 57.16 54.71 1gwp n GLU 35 Cb 0.11 -1.60 -0.09 0.00 -0.02 0.00 0.00 31.44 29.84 1gwp n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1gwp n VAL 36 N -0.96 0.24 -0.24 2.62 0.31 -0.93 -4.05 118.33 115.32 1gwp n VAL 36 Ca 0.17 -0.32 -0.07 0.00 -0.01 0.00 0.00 64.34 64.11 1gwp n VAL 36 Cb 0.71 -0.08 0.04 0.00 -0.91 0.00 0.00 33.84 33.60 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 1.24 -0.03 2.52 2.04 -1.78 0.19 117.51 121.69 1gwp h ILE 37 Ca -0.10 -0.74 -0.22 0.00 1.00 0.00 0.00 64.86 64.81 1gwp h ILE 37 Cb 0.89 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 37.45 1gwp h ILE 37 CO 0.01 0.30 -0.88 1.55 0.00 0.00 0.00 178.15 179.12 1gwp h PRO 38 N 0.94 0.46 -0.48 2.37 0.13 -1.84 -1.61 132.00 131.98 1gwp h PRO 38 Ca 0.22 -0.46 -0.10 0.00 -0.87 0.00 0.00 66.00 64.80 1gwp h PRO 38 Cb 0.20 0.12 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 1gwp h PRO 38 CO -0.02 1.10 -0.09 1.98 -0.23 0.00 0.00 178.00 180.75 1gwp h MET 39 N 0.28 0.85 -0.08 0.86 4.05 -1.64 -1.02 114.93 118.25 1gwp h MET 39 Ca -0.07 -0.28 -0.15 0.00 -0.28 0.00 0.00 59.70 58.92 1gwp h MET 39 Cb 1.51 -0.07 0.01 0.00 -0.80 0.00 0.00 31.60 32.24 1gwp h MET 39 CO 0.16 0.91 -0.55 0.35 0.23 0.00 0.00 176.91 178.01 1gwp h PHE 40 N 0.77 0.70 -0.89 1.39 3.57 -0.63 -1.38 116.94 120.48 1gwp h PHE 40 Ca 0.13 -0.33 0.00 0.00 3.53 0.00 0.00 57.97 61.31 1gwp h PHE 40 Cb 0.59 -0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.18 1gwp h PHE 40 CO 0.03 1.12 0.57 0.66 -2.23 0.00 0.00 178.31 178.46 1gwp h SER 41 N 0.09 1.04 -0.10 0.41 4.64 -1.21 0.50 113.55 118.92 1gwp h SER 41 Ca -0.05 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.19 1gwp h SER 41 Cb 1.21 -0.26 -0.00 0.00 -0.31 0.00 0.00 62.40 63.03 1gwp h SER 41 CO 0.11 0.78 -0.08 0.00 -0.87 0.00 0.00 176.83 176.77 1gwp h ALA 42 N 1.41 0.15 0.00 5.18 0.00 -1.19 -2.52 119.26 122.29 1gwp h ALA 42 Ca 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1gwp h ALA 42 Cb -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1gwp h ALA 42 CO -0.07 -0.04 -0.09 -0.07 0.00 0.00 0.00 179.25 178.98 1gwp h LEU 43 N -0.15 0.00 -3.91 0.00 4.07 -0.78 -1.18 115.31 113.36 1gwp h LEU 43 Ca 0.02 0.00 -0.58 0.00 0.08 0.00 0.00 57.88 57.40 1gwp h LEU 43 Cb 0.57 0.00 -0.29 0.00 1.08 0.00 0.00 40.66 42.02 1gwp h LEU 43 CO 0.02 0.09 0.55 -1.54 -1.08 0.00 0.00 178.44 176.49 1gwp n SER 44 N -3.84 5.87 -0.06 -0.43 3.41 0.17 -4.68 113.62 114.07 1gwp n SER 44 Ca -0.02 -3.74 -0.08 0.00 -0.26 0.00 0.00 58.87 54.77 1gwp n SER 44 Cb 0.19 -0.84 -0.01 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 1.66 -0.20 -1.05 4.33 5.08 -0.79 -3.34 114.58 120.27 1gwp h GLU 45 Ca 0.56 0.01 -0.36 0.00 -1.00 0.00 0.00 59.36 58.57 1gwp h GLU 45 Cb 1.52 0.04 -0.30 0.00 0.50 0.00 0.00 28.75 30.52 1gwp h GLU 45 CO 1.27 -0.13 -0.88 0.41 -1.00 0.00 0.00 179.01 178.67 1gwp n GLY 46 N -1.36 2.16 3.95 -3.84 0.00 -1.26 -4.76 105.19 100.07 1gwp n GLY 46 Ca -0.01 -0.96 -0.23 0.00 0.00 0.00 0.00 46.02 44.82 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 -1.45 3.72 0.70 4.61 0.00 -1.26 -3.30 121.76 124.79 1gwp s ALA 47 Ca 0.31 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.30 1gwp s ALA 47 Cb 0.35 -2.12 0.02 0.00 0.00 0.00 0.00 23.12 21.37 1gwp s ALA 47 CO -0.05 -0.13 0.11 0.25 0.00 0.00 0.00 175.76 175.94 1gwp n THR 48 N -1.88 0.00 0.05 0.00 -2.24 -1.26 -4.65 114.28 104.31 1gwp n THR 48 Ca -0.03 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1gwp n THR 48 Cb 0.57 -1.64 -0.03 0.00 -2.10 0.00 0.00 70.33 67.13 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 -0.00 -0.78 0.13 -1.94 -1.69 132.00 128.17 1gwp h PRO 49 Ca -0.04 -0.44 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1gwp h PRO 49 Cb 0.12 0.11 -0.02 0.00 0.13 0.00 0.00 31.00 31.34 1gwp h PRO 49 CO 0.03 1.09 -0.80 -0.56 -0.23 0.00 0.00 178.00 177.53 1gwp h GLN 50 N 0.28 0.03 0.39 0.86 3.07 -1.97 -1.01 115.11 116.77 1gwp h GLN 50 Ca -0.07 -0.04 -0.02 0.00 0.09 0.00 0.00 58.65 58.62 1gwp h GLN 50 Cb 1.49 0.01 0.00 0.00 0.08 0.00 0.00 27.48 29.06 1gwp h GLN 50 CO 0.15 0.81 -0.19 -0.44 0.09 0.00 0.00 178.83 179.26 1gwp h ASP 51 N 0.02 -0.44 -0.45 0.06 3.32 -1.92 0.04 116.42 117.04 1gwp h ASP 51 Ca -0.01 -0.06 0.05 0.00 0.02 0.00 0.00 57.03 57.02 1gwp h ASP 51 Cb 1.41 0.11 -0.05 0.00 0.22 0.00 0.00 39.33 41.02 1gwp h ASP 51 CO 0.11 -0.00 0.19 -0.07 -1.72 0.00 0.00 179.24 177.74 1gwp h LEU 52 N -1.08 0.23 -0.90 1.55 3.38 -1.40 -0.13 115.31 116.96 1gwp h LEU 52 Ca -0.05 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.01 1gwp h LEU 52 Cb 0.48 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.18 1gwp h LEU 52 CO 0.09 0.17 0.57 -1.13 0.09 0.00 0.00 178.44 178.22 1gwp h ASN 53 N 0.38 0.91 -0.85 -0.43 -1.24 -1.24 -0.14 115.58 112.97 1gwp h ASN 53 Ca 0.21 0.01 -0.00 0.00 0.71 0.00 0.00 56.30 57.23 1gwp h ASN 53 Cb 0.17 -0.18 -0.04 0.00 0.73 0.00 0.00 38.32 39.00 1gwp h ASN 53 CO -0.19 0.59 0.53 0.74 -1.29 0.00 0.00 177.43 177.81 1gwp h THR 54 N 1.05 1.23 -0.55 -3.57 2.02 0.53 0.22 112.91 113.84 1gwp h THR 54 Ca 0.38 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 1gwp h THR 54 Cb 0.13 0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 66.54 1gwp h THR 54 CO -0.16 0.23 0.01 0.24 0.37 0.00 0.00 175.52 176.21 1gwp h MET 55 N 1.16 0.94 -0.17 6.66 2.86 0.23 0.40 114.93 127.00 1gwp h MET 55 Ca 0.31 -0.27 -0.05 0.00 -2.06 0.00 0.00 59.70 57.62 1gwp h MET 55 Cb -0.08 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.48 1gwp h MET 55 CO -0.06 0.92 -0.10 -0.07 1.06 0.00 0.00 176.91 178.66 1gwp h LEU 56 N 0.87 0.39 -1.47 1.22 3.38 -0.44 -2.56 115.31 116.70 1gwp h LEU 56 Ca 0.16 -0.43 -0.05 0.00 0.09 0.00 0.00 57.88 57.65 1gwp h LEU 56 Cb 0.50 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1gwp h LEU 56 CO 0.02 0.73 -0.24 -1.13 0.09 0.00 0.00 178.44 177.91 1gwp h ASN 57 N 0.04 0.00 -0.46 -0.43 -1.24 -0.42 -2.41 115.58 110.67 1gwp h ASN 57 Ca 0.04 0.00 -0.07 0.00 0.71 0.00 0.00 56.30 56.97 1gwp h ASN 57 Cb 0.59 0.00 -0.02 0.00 0.73 0.00 0.00 38.32 39.62 1gwp h ASN 57 CO 0.03 0.24 0.02 0.74 -1.29 0.00 0.00 177.43 177.17 1gwp h THR 58 N 0.00 1.25 -1.67 -3.57 2.02 0.11 -3.45 112.91 107.60 1gwp h THR 58 Ca -0.00 -1.01 -0.50 0.00 0.77 0.00 0.00 66.41 65.67 1gwp h THR 58 Cb 0.56 0.82 0.25 0.00 -1.74 0.00 0.00 68.15 68.04 1gwp h THR 58 CO 0.03 0.36 -2.06 0.55 0.37 0.00 0.00 175.52 174.78 1gwp n VAL 59 N -4.21 0.00 0.00 3.16 3.14 -0.91 -4.91 118.33 114.60 1gwp n VAL 59 Ca 0.03 -0.19 0.00 0.00 -2.96 0.00 0.00 64.34 61.22 1gwp n VAL 59 Cb 0.30 -0.16 0.00 0.00 -1.06 0.00 0.00 33.84 32.91 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 -2.70 0.00 7.55 0.00 -1.26 -4.92 105.19 106.92 1gwp n GLY 60 Ca -0.01 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.43 -0.93 3.46 -0.02 0.00 -1.26 -5.10 105.19 100.91 1gwp n GLY 61 Ca 0.00 0.39 -0.43 0.00 0.00 0.00 0.00 46.02 45.98 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 2.82 0.28 1.61 3.76 -1.26 -4.86 115.29 117.64 1gwp s HIS 62 Ca 0.00 -0.87 -0.01 0.00 -0.15 0.00 0.00 55.06 54.03 1gwp s HIS 62 Cb 0.00 -4.33 0.47 0.00 1.11 0.00 0.00 32.58 29.83 1gwp s HIS 62 CO 0.00 -1.63 1.90 -0.56 -0.85 0.00 0.00 174.74 173.60 1gwp h GLN 63 N 9.33 1.07 -0.05 1.40 3.07 -1.99 0.20 115.11 128.14 1gwp h GLN 63 Ca -0.08 -0.06 -0.00 0.00 0.09 0.00 0.00 58.65 58.59 1gwp h GLN 63 Cb 1.05 -0.24 -0.00 0.00 0.08 0.00 0.00 27.48 28.36 1gwp h GLN 63 CO 1.18 0.71 0.02 0.00 0.09 0.00 0.00 178.83 180.82 1gwp h ALA 64 N 1.48 0.07 0.12 0.06 0.00 -1.98 0.36 119.26 119.36 1gwp h ALA 64 Ca 0.41 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.23 1gwp h ALA 64 Cb 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1gwp h ALA 64 CO -0.16 -0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.58 1gwp h ALA 65 N 0.83 -0.32 -0.17 0.00 0.00 -1.75 -1.03 119.26 116.82 1gwp h ALA 65 Ca 0.02 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1gwp h ALA 65 Cb 0.20 0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1gwp h ALA 65 CO -0.00 -0.71 0.10 0.52 0.00 0.00 0.00 179.25 179.16 1gwp h MET 66 N -0.36 0.23 0.48 0.00 2.07 -0.54 -1.30 114.93 115.50 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 0.37 -0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.06 1gwp h MET 66 CO -0.09 0.16 -0.23 0.37 1.07 0.00 0.00 176.91 178.19 1gwp h GLN 67 N 0.23 -0.62 -0.85 1.72 5.75 0.88 0.43 115.11 122.67 1gwp h GLN 67 Ca 0.06 0.04 0.01 0.00 -0.15 0.00 0.00 58.65 58.61 1gwp h GLN 67 Cb -0.01 0.14 -0.04 0.00 1.07 0.00 0.00 27.48 28.64 1gwp h GLN 67 CO -0.01 -0.37 0.56 0.52 -2.65 0.00 0.00 178.83 176.88 1gwp h MET 68 N -0.72 1.11 -0.29 1.69 2.86 -0.86 -0.73 114.93 117.99 1gwp h MET 68 Ca -0.07 -0.07 -0.07 0.00 -2.06 0.00 0.00 59.70 57.44 1gwp h MET 68 Cb 0.53 -0.25 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 1gwp h MET 68 CO 0.11 0.74 -0.13 1.25 1.06 0.00 0.00 176.91 179.94 1gwp h LEU 69 N 1.15 0.47 -0.07 1.22 6.46 -1.09 -0.52 115.31 122.93 1gwp h LEU 69 Ca 0.31 -0.12 -0.01 0.00 -0.12 0.00 0.00 57.88 57.94 1gwp h LEU 69 Cb -0.13 -0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 39.67 1gwp h LEU 69 CO -0.07 0.63 0.02 0.11 -0.62 0.00 0.00 178.44 178.51 1gwp h LYS 70 N 0.45 0.11 -0.73 1.25 1.57 0.10 0.14 116.57 119.46 1gwp h LYS 70 Ca 0.08 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 1gwp h LYS 70 Cb 0.49 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.75 1gwp h LYS 70 CO 0.03 0.27 0.43 0.93 -0.57 0.00 0.00 179.45 180.54 1gwp h GLU 71 N -0.07 0.99 0.89 3.15 5.08 -0.89 -1.39 114.58 122.34 1gwp h GLU 71 Ca 0.02 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.25 1gwp h GLU 71 Cb 0.20 -0.21 0.01 0.00 0.50 0.00 0.00 28.75 29.25 1gwp h GLU 71 CO -0.00 0.71 -0.43 1.15 -1.00 0.00 0.00 179.01 179.44 1gwp h THR 72 N 0.99 0.07 -0.65 1.13 2.02 -0.88 0.11 112.91 115.70 1gwp h THR 72 Ca 0.26 -0.07 0.12 0.00 0.77 0.00 0.00 66.41 67.49 1gwp h THR 72 Cb -0.02 0.08 -0.12 0.00 -1.74 0.00 0.00 68.15 66.34 1gwp h THR 72 CO -0.05 0.00 -0.27 0.40 0.37 0.00 0.00 175.52 175.97 1gwp h ILE 73 N -1.26 0.21 -0.56 3.11 1.08 -0.64 1.28 117.51 120.75 1gwp h ILE 73 Ca -0.12 0.00 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1gwp h ILE 73 Cb 0.92 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.85 1gwp h ILE 73 CO 0.20 0.00 0.37 -1.13 -0.69 0.00 0.00 178.15 176.90 1gwp h ASN 74 N -0.09 0.50 0.67 1.72 -1.24 -1.13 -1.44 115.58 114.57 1gwp h ASN 74 Ca 0.28 -0.00 -0.03 0.00 0.71 0.00 0.00 56.30 57.26 1gwp h ASN 74 Cb 0.54 -0.11 0.01 0.00 0.73 0.00 0.00 38.32 39.49 1gwp h ASN 74 CO -0.71 0.34 -0.32 -0.33 -1.29 0.00 0.00 177.43 175.12 1gwp h GLU 75 N 0.58 -0.86 -0.93 6.67 5.08 0.41 -1.03 114.58 124.50 1gwp h GLU 75 Ca 0.23 0.06 0.26 0.00 -1.00 0.00 0.00 59.36 58.91 1gwp h GLU 75 Cb 0.19 0.20 -0.14 0.00 0.50 0.00 0.00 28.75 29.50 1gwp h GLU 75 CO -0.06 -0.57 0.42 1.49 -1.00 0.00 0.00 179.01 179.28 1gwp h GLU 76 N -1.08 0.33 -0.12 2.33 4.57 -0.14 0.45 114.58 120.92 1gwp h GLU 76 Ca -0.09 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.07 1gwp h GLU 76 Cb 0.69 -0.07 -0.01 0.00 -0.16 0.00 0.00 28.75 29.20 1gwp h GLU 76 CO 0.15 0.22 0.07 0.00 -1.18 0.00 0.00 179.01 178.27 1gwp h ALA 77 N 1.78 0.15 -0.45 2.92 0.00 -1.16 0.13 119.26 122.62 1gwp h ALA 77 Ca 0.62 -0.03 0.09 0.00 0.00 0.00 0.00 54.91 55.58 1gwp h ALA 77 Cb 1.27 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 1gwp h ALA 77 CO -0.59 -0.34 -0.01 0.00 0.00 0.00 0.00 179.25 178.31 1gwp h ALA 78 N 1.00 0.40 -0.56 0.00 0.00 0.12 0.17 119.26 120.40 1gwp h ALA 78 Ca 0.04 0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1gwp h ALA 78 Cb 0.03 0.24 -0.03 0.00 0.00 0.00 0.00 17.79 18.03 1gwp h ALA 78 CO -0.01 -0.40 0.35 0.93 0.00 0.00 0.00 179.25 180.12 1gwp h GLU 79 N 0.10 0.75 -0.28 0.00 3.07 -0.66 -0.98 114.58 116.58 1gwp h GLU 79 Ca 0.22 -0.05 0.01 0.00 -0.50 0.00 0.00 59.36 59.04 1gwp h GLU 79 Cb 0.33 -0.16 -0.02 0.00 -0.84 0.00 0.00 28.75 28.06 1gwp h GLU 79 CO -0.38 0.51 0.16 2.35 -1.40 0.00 0.00 179.01 180.25 1gwp h TRP 80 N 0.76 0.30 -0.20 4.33 2.91 0.13 0.45 115.95 124.63 1gwp h TRP 80 Ca 0.20 0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.25 1gwp h TRP 80 Cb -0.05 -0.10 -0.02 0.00 -0.51 0.00 0.00 29.16 28.49 1gwp h TRP 80 CO 0.00 0.18 0.09 0.22 -1.03 0.00 0.00 178.44 177.91 1gwp h ASP 81 N 0.33 0.14 -0.79 2.65 1.82 -0.17 1.04 116.42 121.44 1gwp h ASP 81 Ca 0.11 0.01 0.03 0.00 -0.39 0.00 0.00 57.03 56.79 1gwp h ASP 81 Cb -0.00 -0.01 -0.04 0.00 0.68 0.00 0.00 39.33 39.95 1gwp h ASP 81 CO -0.05 0.11 0.52 0.03 -1.61 0.00 0.00 179.24 178.24 1gwp h ARG 82 N 0.21 0.96 0.22 0.28 -0.00 -0.63 -1.84 114.38 113.57 1gwp h ARG 82 Ca 0.08 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.98 59.50 1gwp h ARG 82 Cb 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 29.78 1gwp h ARG 82 CO -0.06 0.64 -0.10 -0.07 0.00 0.00 0.00 179.97 180.37 1gwp h LEU 83 N 0.99 -0.25 -7.57 3.04 3.38 0.80 -3.39 115.31 112.31 1gwp h LEU 83 Ca 0.31 -0.27 -0.68 0.00 0.09 0.00 0.00 57.88 57.33 1gwp h LEU 83 Cb 0.00 0.06 -0.37 0.00 0.09 0.00 0.00 40.66 40.45 1gwp h LEU 83 CO -0.08 0.27 -0.46 -1.00 0.09 0.00 0.00 178.44 177.25 1gwp s HIS 84 N -3.51 3.41 -1.17 1.13 3.76 0.35 -4.99 115.29 114.27 1gwp s HIS 84 Ca -0.12 -2.78 -0.12 0.00 -0.15 0.00 0.00 55.06 51.90 1gwp s HIS 84 Cb 0.01 -3.12 -0.07 0.00 1.11 0.00 0.00 32.58 30.51 1gwp s HIS 84 CO 0.44 -0.85 2.32 -0.35 -0.85 0.00 0.00 174.74 175.46 1gwp n PRO 85 N 3.60 2.54 -1.36 8.40 -0.04 -0.71 -4.37 135.00 143.06 1gwp n PRO 85 Ca 0.06 -1.93 -0.46 0.00 -0.04 0.00 0.00 63.50 61.12 1gwp n PRO 85 Cb 0.37 -2.78 -0.02 0.00 -0.04 0.00 0.00 33.50 31.03 1gwp n PRO 85 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1gwp n VAL 86 N 4.55 1.65 0.00 0.52 0.31 -1.26 -4.89 118.33 119.21 1gwp n VAL 86 Ca 0.56 -0.50 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1gwp n VAL 86 Cb 0.26 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.19 1gwp n VAL 86 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1gwp n HIS 87 N -0.25 0.00 -0.60 3.52 8.25 -1.26 -5.09 115.22 119.80 1gwp n HIS 87 Ca 0.16 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.32 1gwp n HIS 87 Cb 0.28 0.00 0.27 0.00 1.12 0.00 0.00 29.99 31.67 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 0.00 -0.32 0.22 -1.41 0.00 -1.26 -5.06 121.76 113.93 1gwp s ALA 88 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 51.96 51.10 1gwp s ALA 88 Cb 0.00 -2.92 0.00 0.00 0.00 0.00 0.00 23.12 20.20 1gwp s ALA 88 CO 0.00 -4.29 0.00 0.41 0.00 0.00 0.00 175.76 171.88 1gwp n GLY 89 N 0.64 0.53 2.83 0.00 0.00 -1.26 -4.78 105.19 103.15 1gwp n GLY 89 Ca 0.13 -1.33 -0.40 0.00 0.00 0.00 0.00 46.02 44.42 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 2.28 -3.34 1.61 -0.04 -1.26 -4.91 135.00 129.34 1gwp n PRO 90 Ca 0.00 -2.12 -0.38 0.00 -0.04 0.00 0.00 63.50 60.96 1gwp n PRO 90 Cb 0.00 -2.99 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 1gwp n PRO 90 CO 0.00 0.00 0.00 -1.50 -0.04 0.00 0.00 175.50 173.96 1gwp s ILE 91 N 3.88 4.94 0.73 0.52 2.07 -1.26 -5.05 121.20 127.03 1gwp s ILE 91 Ca 0.52 1.06 -0.16 0.00 -1.41 0.00 0.00 60.65 60.67 1gwp s ILE 91 Cb 0.14 -3.83 0.04 0.00 0.13 0.00 0.00 42.46 38.94 1gwp s ILE 91 CO 0.01 0.49 1.25 0.00 -1.91 0.00 0.00 174.94 174.78 1gwp s ALA 92 N -0.59 2.11 -1.08 1.50 0.00 -1.26 -4.85 121.76 117.58 1gwp s ALA 92 Ca 0.27 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 1gwp s ALA 92 Cb -0.18 -3.52 -0.00 0.00 0.00 0.00 0.00 23.12 19.42 1gwp s ALA 92 CO 0.15 -1.94 1.75 -1.25 0.00 0.00 0.00 175.76 174.48 1gwp s PRO 93 N -3.77 3.15 0.00 0.00 0.04 -1.26 -1.88 135.00 131.29 1gwp s PRO 93 Ca 0.78 -1.09 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1gwp s PRO 93 Cb -0.33 -5.29 0.00 0.00 0.04 0.00 0.00 34.50 28.92 1gwp s PRO 93 CO 0.45 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.98 1gwp n GLY 94 N 6.33 0.15 2.29 0.56 0.00 -1.26 -5.02 105.19 108.24 1gwp n GLY 94 Ca 0.41 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.22 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 2.35 -2.95 1.61 1.13 -0.79 -4.71 117.38 114.02 1gwp n GLN 95 Ca 0.00 -1.38 -0.26 0.00 -1.94 0.00 0.00 57.00 53.43 1gwp n GLN 95 Cb 0.00 -2.30 0.03 0.00 0.11 0.00 0.00 30.24 28.07 1gwp n GLN 95 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 1gwp n MET 96 N 3.28 -1.28 -4.04 -1.09 0.00 -1.26 -4.87 117.12 107.87 1gwp n MET 96 Ca 0.50 1.03 -0.31 0.00 -0.00 0.00 0.00 57.70 58.93 1gwp n MET 96 Cb 0.44 -1.43 -0.06 0.00 0.00 0.00 0.00 33.22 32.17 1gwp n MET 96 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 1gwp s ARG 97 N -1.73 2.96 -0.14 2.12 3.52 -1.26 -5.04 118.95 119.38 1gwp s ARG 97 Ca 0.25 -0.64 -0.30 0.00 -0.13 0.00 0.00 55.73 54.91 1gwp s ARG 97 Cb -0.03 -2.78 -0.08 0.00 -1.56 0.00 0.00 34.95 30.51 1gwp s ARG 97 CO 0.56 0.58 2.10 0.39 -0.81 0.00 0.00 175.30 178.13 1gwp n GLU 98 N 0.52 2.15 -2.42 5.12 -0.58 -1.26 -4.93 120.64 119.23 1gwp n GLU 98 Ca -0.09 0.69 -0.34 0.00 -0.42 0.00 0.00 57.16 57.01 1gwp n GLU 98 Cb 0.52 -3.00 -0.02 0.00 -0.57 0.00 0.00 31.44 28.36 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1gwp s PRO 99 N 5.49 3.69 -0.48 3.49 0.04 -1.26 -4.80 135.00 141.18 1gwp s PRO 99 Ca 0.97 1.30 0.03 0.00 0.04 0.00 0.00 61.00 63.35 1gwp s PRO 99 Cb -0.47 -2.08 0.59 0.00 0.04 0.00 0.00 34.50 32.57 1gwp s PRO 99 CO 0.41 -0.51 1.86 0.54 0.04 0.00 0.00 177.00 179.34 1gwp n ARG 100 N -1.25 2.34 0.00 4.56 1.74 -1.26 -4.91 116.66 117.88 1gwp n ARG 100 Ca 0.09 -3.14 0.00 0.00 -0.77 0.00 0.00 57.85 54.03 1gwp n ARG 100 Cb 0.53 -2.16 0.00 0.00 -1.02 0.00 0.00 32.46 29.81 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 -1.08 2.17 0.34 -0.13 0.00 -1.26 -3.25 105.19 101.98 1gwp n GLY 101 Ca 0.56 -0.36 0.22 0.00 0.00 0.00 0.00 46.02 46.45 1gwp n GLY 101 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1gwp h SER 102 N 0.00 0.56 -0.47 1.61 4.64 -1.91 1.48 113.55 119.46 1gwp h SER 102 Ca 0.00 0.18 -0.07 0.00 -0.47 0.00 0.00 61.79 61.42 1gwp h SER 102 Cb 0.00 0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1gwp h SER 102 CO 0.00 -0.07 0.03 -0.78 -0.87 0.00 0.00 176.83 175.14 1gwp h ASP 103 N 0.39 0.84 -0.08 4.97 1.82 -1.93 -1.25 116.42 121.18 1gwp h ASP 103 Ca 0.71 -0.20 0.02 0.00 -0.39 0.00 0.00 57.03 57.17 1gwp h ASP 103 Cb 1.56 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 41.35 1gwp h ASP 103 CO -0.57 0.88 0.13 0.40 -1.61 0.00 0.00 179.24 178.47 1gwp h ILE 104 N 0.81 0.30 0.00 2.25 2.04 0.17 0.70 117.51 123.79 1gwp h ILE 104 Ca 0.16 0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.98 1gwp h ILE 104 Cb 0.45 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 1gwp h ILE 104 CO 0.02 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 177.97 1gwp h ALA 105 N 1.81 0.98 0.00 1.87 0.00 -0.70 -3.46 119.26 119.76 1gwp h ALA 105 Ca 0.04 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1gwp h ALA 105 Cb 0.29 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1gwp h ALA 105 CO -0.00 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 1gwp n GLY 106 N 0.35 0.72 0.29 0.00 0.00 0.25 -4.93 105.19 101.86 1gwp n GLY 106 Ca 0.01 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.97 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 1.25 0.00 2.61 2.02 -1.73 -3.25 112.91 113.81 1gwp h THR 107 Ca 0.00 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.09 1gwp h THR 107 Cb 0.00 0.85 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1gwp h THR 107 CO 0.00 0.38 -1.57 0.41 0.37 0.00 0.00 175.52 175.11 1gwp n THR 108 N -4.20 0.12 -4.37 3.16 -1.04 -1.26 -5.01 114.28 101.69 1gwp n THR 108 Ca 0.03 -0.30 -0.23 0.00 -2.04 0.00 0.00 64.05 61.50 1gwp n THR 108 Cb 0.32 0.08 -0.08 0.00 -1.82 0.00 0.00 70.33 68.82 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 -3.50 4.15 0.35 8.00 1.04 -1.23 -5.10 113.70 117.41 1gwp s SER 109 Ca -0.04 -0.82 0.03 0.00 0.48 0.00 0.00 55.95 55.60 1gwp s SER 109 Cb 0.07 -0.61 0.03 0.00 0.10 0.00 0.00 66.02 65.61 1gwp s SER 109 CO 0.48 -0.00 0.26 0.35 0.98 0.00 0.00 173.24 175.31 1gwp n THR 110 N -0.79 0.00 0.16 2.02 -2.24 -1.26 -4.12 114.28 108.05 1gwp n THR 110 Ca -0.06 -1.41 -0.14 0.00 -2.27 0.00 0.00 64.05 60.17 1gwp n THR 110 Cb 0.60 -0.19 -0.07 0.00 -2.10 0.00 0.00 70.33 68.56 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 -0.98 -0.86 3.22 5.85 -1.99 -0.66 115.31 119.90 1gwp h LEU 111 Ca -0.22 0.10 0.22 0.00 0.84 0.00 0.00 57.88 58.82 1gwp h LEU 111 Cb 0.82 0.35 -0.14 0.00 0.37 0.00 0.00 40.66 42.06 1gwp h LEU 111 CO 0.35 -0.46 0.15 1.56 -0.34 0.00 0.00 178.44 179.71 1gwp h GLN 112 N -0.64 0.15 -0.72 1.25 4.20 -1.99 0.76 115.11 118.12 1gwp h GLN 112 Ca 0.00 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 1gwp h GLN 112 Cb 0.63 -0.03 -0.04 0.00 0.30 0.00 0.00 27.48 28.34 1gwp h GLN 112 CO -0.14 0.10 0.45 0.93 -0.67 0.00 0.00 178.83 179.50 1gwp h GLU 113 N 0.16 0.97 -0.15 1.46 5.08 -1.69 -1.16 114.58 119.25 1gwp h GLU 113 Ca 0.52 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.73 1gwp h GLU 113 Cb 1.03 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 30.06 1gwp h GLU 113 CO -0.69 0.67 -0.26 1.96 -1.00 0.00 0.00 179.01 179.70 1gwp h GLN 114 N 0.98 0.27 -0.30 2.33 7.50 0.18 -1.49 115.11 124.58 1gwp h GLN 114 Ca 0.26 -0.09 -0.03 0.00 0.50 0.00 0.00 58.65 59.29 1gwp h GLN 114 Cb -0.06 -0.02 -0.01 0.00 0.05 0.00 0.00 27.48 27.44 1gwp h GLN 114 CO -0.05 0.51 0.07 0.82 -1.50 0.00 0.00 178.83 178.68 1gwp h ILE 115 N 0.24 1.22 0.09 2.54 1.08 0.68 -0.56 117.51 122.80 1gwp h ILE 115 Ca 0.04 -0.74 -0.00 0.00 -0.39 0.00 0.00 64.86 63.77 1gwp h ILE 115 Cb 0.59 1.14 0.00 0.00 -3.07 0.00 0.00 36.82 35.48 1gwp h ILE 115 CO 0.04 0.24 -0.05 1.23 -0.69 0.00 0.00 178.15 178.93 1gwp h GLY 116 N 0.32 -0.13 0.30 5.37 0.00 -0.95 -0.74 103.07 107.23 1gwp h GLY 116 Ca 0.09 0.05 0.12 0.00 0.00 0.00 0.00 47.33 47.59 1gwp h GLY 116 CO 0.00 -0.05 0.31 1.49 0.00 0.00 0.00 176.54 178.29 1gwp h TRP 117 N -0.26 0.54 0.00 5.60 6.55 -1.22 1.60 115.95 128.75 1gwp h TRP 117 Ca -0.01 0.03 -0.03 0.00 0.95 0.00 0.00 58.89 59.83 1gwp h TRP 117 Cb 0.22 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.38 1gwp h TRP 117 CO -0.03 0.13 -0.12 0.52 -1.05 0.00 0.00 178.44 177.89 1gwp h MET 118 N 0.49 0.00 -0.27 0.49 2.86 -0.75 1.62 114.93 119.38 1gwp h MET 118 Ca 0.38 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.97 1gwp h MET 118 Cb 0.50 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1gwp h MET 118 CO -0.34 0.12 -0.01 2.41 1.06 0.00 0.00 176.91 180.16 1gwp n THR 119 N -4.06 2.33 -2.20 2.22 -1.04 0.18 -4.39 114.28 107.32 1gwp n THR 119 Ca -0.02 -2.08 -0.27 0.00 -2.04 0.00 0.00 64.05 59.63 1gwp n THR 119 Cb 0.21 -0.27 0.12 0.00 -1.82 0.00 0.00 70.33 68.56 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 2.15 -0.29 -1.42 5.04 0.49 -4.85 115.29 113.49 1gwp s HIS 120 Ca 0.42 0.23 0.01 0.00 -1.54 0.00 0.00 55.06 54.18 1gwp s HIS 120 Cb 0.35 -3.46 0.09 0.00 0.04 0.00 0.00 32.58 29.60 1gwp s HIS 120 CO 0.07 -1.91 0.04 1.21 -2.34 0.00 0.00 174.74 171.81 1gwp s ASN 121 N -4.70 4.08 0.71 9.88 3.84 -1.26 0.19 114.94 127.67 1gwp s ASN 121 Ca 0.66 -1.57 -0.11 0.00 0.21 0.00 0.00 52.86 52.05 1gwp s ASN 121 Cb -0.07 -1.12 0.01 0.00 -0.55 0.00 0.00 41.25 39.53 1gwp s ASN 121 CO 0.47 -0.35 1.06 -2.16 -2.79 0.00 0.00 177.10 173.34 1gwp s PRO 122 N 1.40 2.84 -0.21 0.43 0.04 -1.26 -5.09 135.00 133.15 1gwp s PRO 122 Ca 0.05 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1gwp s PRO 122 Cb -0.18 -1.98 -0.01 0.00 0.04 0.00 0.00 34.50 32.37 1gwp s PRO 122 CO -0.14 -1.16 1.30 -1.25 0.04 0.00 0.00 177.00 175.79 1gwp s PRO 123 N -5.06 4.10 -0.14 0.56 0.04 0.50 -4.96 135.00 130.05 1gwp s PRO 123 Ca 0.58 1.54 -0.29 0.00 0.04 0.00 0.00 61.00 62.87 1gwp s PRO 123 Cb -0.14 -3.82 -0.01 0.00 0.04 0.00 0.00 34.50 30.57 1gwp s PRO 123 CO 0.55 -0.88 1.13 0.42 0.04 0.00 0.00 177.00 178.26 1gwp s ILE 124 N 3.89 4.49 0.00 0.56 1.09 0.54 -4.88 121.20 126.89 1gwp s ILE 124 Ca 0.56 1.79 -0.04 0.00 -1.10 0.00 0.00 60.65 61.86 1gwp s ILE 124 Cb -0.20 -4.15 -0.19 0.00 -1.06 0.00 0.00 42.46 36.85 1gwp s ILE 124 CO 0.18 -0.08 2.77 -0.81 -0.10 0.00 0.00 174.94 176.91 1gwp n PRO 125 N 5.76 1.45 -0.37 2.79 -0.04 -1.26 -2.99 135.00 140.35 1gwp n PRO 125 Ca 0.11 -0.71 0.34 0.00 -0.04 0.00 0.00 63.50 63.21 1gwp n PRO 125 Cb 0.46 -1.83 0.70 0.00 -0.04 0.00 0.00 33.50 32.79 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 2.19 0.37 0.47 0.52 3.04 -1.89 0.36 116.25 121.31 1gwp h VAL 126 Ca 0.13 -0.03 -0.02 0.00 -1.01 0.00 0.00 66.70 65.77 1gwp h VAL 126 Cb 1.12 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 1gwp h VAL 126 CO 0.28 0.02 -0.22 1.23 -1.01 0.00 0.00 177.57 177.86 1gwp h GLY 127 N 0.09 -0.65 0.32 3.17 0.00 -1.82 -1.44 103.07 102.74 1gwp h GLY 127 Ca 0.63 0.24 0.15 0.00 0.00 0.00 0.00 47.33 48.34 1gwp h GLY 127 CO -0.10 -0.24 0.59 -2.09 0.00 0.00 0.00 176.54 174.70 1gwp h GLU 128 N -1.13 0.83 0.95 4.80 4.81 -1.34 0.39 114.58 123.88 1gwp h GLU 128 Ca -0.06 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.07 1gwp h GLU 128 Cb 0.48 -0.19 0.01 0.00 0.63 0.00 0.00 28.75 29.68 1gwp h GLU 128 CO 0.11 0.55 -0.45 0.82 -0.73 0.00 0.00 179.01 179.30 1gwp h ILE 129 N 0.85 0.00 -0.92 2.32 2.04 -0.43 -0.77 117.51 120.60 1gwp h ILE 129 Ca 0.51 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 66.51 1gwp h ILE 129 Cb 0.64 0.00 -0.08 0.00 -0.74 0.00 0.00 36.82 36.64 1gwp h ILE 129 CO -0.32 0.00 0.59 0.22 0.00 0.00 0.00 178.15 178.64 1gwp h TYR 130 N -1.28 0.89 -0.49 1.37 3.20 -0.59 0.17 116.97 120.25 1gwp h TYR 130 Ca -0.13 0.03 0.02 0.00 3.14 0.00 0.00 58.73 61.79 1gwp h TYR 130 Cb 0.97 -0.28 -0.03 0.00 1.54 0.00 0.00 36.73 38.93 1gwp h TYR 130 CO 0.01 0.32 0.29 -0.22 -1.64 0.00 0.00 178.16 176.93 1gwp h LYS 131 N 0.75 0.57 -0.19 1.82 3.11 0.06 0.21 116.57 122.89 1gwp h LYS 131 Ca 0.47 -0.03 -0.12 0.00 -2.81 0.00 0.00 60.65 58.16 1gwp h LYS 131 Cb 0.71 -0.13 -0.01 0.00 -1.00 0.00 0.00 32.23 31.80 1gwp h LYS 131 CO -0.23 0.37 -0.40 -0.09 -2.81 0.00 0.00 179.45 176.30 1gwp h ARG 132 N 0.58 0.43 0.27 1.90 1.12 0.54 -1.55 114.38 117.67 1gwp h ARG 132 Ca 0.20 -0.21 -0.01 0.00 -1.11 0.00 0.00 59.98 58.84 1gwp h ARG 132 Cb 0.02 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.98 1gwp h ARG 132 CO -0.09 0.76 -0.13 -1.49 -3.11 0.00 0.00 179.97 175.91 1gwp h TRP 133 N 0.36 -0.34 -0.76 2.20 4.06 0.18 0.49 115.95 122.14 1gwp h TRP 133 Ca 0.03 -0.01 0.15 0.00 2.06 0.00 0.00 58.89 61.12 1gwp h TRP 133 Cb 0.85 0.11 -0.14 0.00 -1.00 0.00 0.00 29.16 28.98 1gwp h TRP 133 CO 0.03 -0.21 -0.23 0.82 -3.56 0.00 0.00 178.44 175.29 1gwp h ILE 134 N -0.41 0.21 -0.66 1.49 2.04 -0.67 1.56 117.51 121.08 1gwp h ILE 134 Ca -0.04 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.88 1gwp h ILE 134 Cb 0.28 0.21 -0.04 0.00 -0.74 0.00 0.00 36.82 36.53 1gwp h ILE 134 CO 0.06 0.00 0.43 0.40 0.00 0.00 0.00 178.15 179.04 1gwp h ILE 135 N -0.03 1.03 -0.31 -0.67 5.03 -1.21 -0.02 117.51 121.34 1gwp h ILE 135 Ca 0.35 -0.24 0.02 0.00 -0.12 0.00 0.00 64.86 64.87 1gwp h ILE 135 Cb 0.57 0.28 -0.03 0.00 -3.03 0.00 0.00 36.82 34.60 1gwp h ILE 135 CO -0.79 0.13 0.14 0.25 -0.68 0.00 0.00 178.15 177.20 1gwp h LEU 136 N 0.70 0.20 0.05 1.44 6.46 0.72 0.04 115.31 124.93 1gwp h LEU 136 Ca 0.28 0.02 -0.00 0.00 -0.12 0.00 0.00 57.88 58.05 1gwp h LEU 136 Cb 0.21 -0.02 0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1gwp h LEU 136 CO -0.08 0.16 -0.02 1.23 -0.62 0.00 0.00 178.44 179.10 1gwp h GLY 137 N 0.30 -0.07 -0.07 3.75 0.00 0.18 -0.89 103.07 106.27 1gwp h GLY 137 Ca 0.13 0.03 0.14 0.00 0.00 0.00 0.00 47.33 47.63 1gwp h GLY 137 CO -0.10 -0.02 0.06 1.41 0.00 0.00 0.00 176.54 177.89 1gwp h LEU 138 N -0.29 -0.18 -0.37 3.11 3.38 -0.81 0.56 115.31 120.71 1gwp h LEU 138 Ca -0.01 0.15 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 1gwp h LEU 138 Cb 0.27 0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 1gwp h LEU 138 CO 0.01 -0.09 0.22 -1.13 0.09 0.00 0.00 178.44 177.54 1gwp h ASN 139 N 0.17 0.45 -0.75 -0.43 -1.24 -0.83 -0.78 115.58 112.17 1gwp h ASN 139 Ca 0.36 -0.07 0.06 0.00 0.71 0.00 0.00 56.30 57.36 1gwp h ASN 139 Cb 0.59 -0.11 -0.05 0.00 0.73 0.00 0.00 38.32 39.48 1gwp h ASN 139 CO -0.53 0.39 0.49 0.50 -1.29 0.00 0.00 177.43 176.99 1gwp h LYS 140 N 0.48 0.79 -0.08 6.67 3.64 0.78 0.44 116.57 129.27 1gwp h LYS 140 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 1gwp h LYS 140 Cb 0.02 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1gwp h LYS 140 CO -0.02 0.52 0.03 0.82 -2.27 0.00 0.00 179.45 178.52 1gwp h ILE 141 N 0.81 1.17 0.00 2.00 2.04 0.92 -1.20 117.51 123.24 1gwp h ILE 141 Ca 0.32 -0.52 -0.04 0.00 1.00 0.00 0.00 64.86 65.62 1gwp h ILE 141 Cb 0.22 1.36 -0.01 0.00 -0.74 0.00 0.00 36.82 37.65 1gwp h ILE 141 CO -0.10 0.15 -0.21 0.58 0.00 0.00 0.00 178.15 178.56 1gwp h VAL 142 N -0.05 0.96 -0.34 1.67 2.07 -0.12 -1.43 116.25 119.02 1gwp h VAL 142 Ca 0.03 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.72 1gwp h VAL 142 Cb 0.21 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.41 1gwp h VAL 142 CO -0.00 0.21 0.04 -0.09 0.02 0.00 0.00 177.57 177.75 1gwp h ARG 143 N 0.00 0.57 -0.42 1.57 2.43 0.44 -0.95 114.38 118.02 1gwp h ARG 143 Ca -0.00 -0.16 -0.12 0.00 -0.81 0.00 0.00 59.98 58.88 1gwp h ARG 143 Cb 0.43 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.91 1gwp h ARG 143 CO 0.03 0.67 -0.22 1.98 -1.51 0.00 0.00 179.97 180.92 1gwp h MET 144 N 0.40 0.89 0.11 0.20 4.05 -0.75 -3.20 114.93 116.64 1gwp h MET 144 Ca 0.10 -0.40 -0.00 0.00 -0.28 0.00 0.00 59.70 59.12 1gwp h MET 144 Cb 0.38 -0.02 -0.00 0.00 -0.80 0.00 0.00 31.60 31.16 1gwp h MET 144 CO 0.01 1.05 -0.07 1.88 0.23 0.00 0.00 176.91 180.00 1gwp h TYR 145 N 0.72 -0.19 -6.44 1.39 -1.99 -1.17 -3.47 116.97 105.81 1gwp h TYR 145 Ca 0.09 -0.00 -0.36 0.00 2.00 0.00 0.00 58.73 60.46 1gwp h TYR 145 Cb 0.79 0.07 0.02 0.00 2.00 0.00 0.00 36.73 39.61 1gwp h TYR 145 CO 0.06 -0.12 -1.15 -1.13 -0.00 0.00 0.00 178.16 175.82 1gwp n SER 146 N -5.18 -5.73 -4.73 3.88 3.41 -0.37 -4.93 113.62 99.97 1gwp n SER 146 Ca -0.08 -0.09 -0.29 0.00 -0.26 0.00 0.00 58.87 58.15 1gwp n SER 146 Cb 0.11 -2.01 0.14 0.00 -0.26 0.00 0.00 64.21 62.19 1gwp n SER 146 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gwp s PRO 147 N -2.47 1.03 -0.58 4.33 0.04 -1.26 -5.01 135.00 131.08 1gwp s PRO 147 Ca 0.37 0.25 0.05 0.00 0.04 0.00 0.00 61.00 61.71 1gwp s PRO 147 Cb -0.04 -1.83 0.35 0.00 0.04 0.00 0.00 34.50 33.02 1gwp s PRO 147 CO 0.87 -2.26 1.03 -2.37 0.04 0.00 0.00 177.00 174.31 1gwp n THR 148 N -3.80 3.09 -2.31 1.26 5.66 -1.26 -4.94 114.28 111.97 1gwp n THR 148 Ca 0.07 -5.47 -0.02 0.00 -3.05 0.00 0.00 64.05 55.59 1gwp n THR 148 Cb 0.59 -1.38 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 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 -0.29 -5.90 -3.88 1.09 7.64 -1.26 -5.06 113.62 105.96 1gwp n SER 149 Ca 0.34 0.76 -0.19 0.00 1.01 0.00 0.00 58.87 60.79 1gwp n SER 149 Cb 0.44 -3.83 -0.16 0.00 -1.01 0.00 0.00 64.21 59.64 1gwp n SER 149 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1gwp s ILE 150 N -1.35 0.46 0.00 0.44 1.01 -1.26 -5.31 121.20 115.19 1gwp s ILE 150 Ca 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.62 1gwp s ILE 150 Cb -0.01 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.96 1gwp s ILE 150 CO 0.51 0.21 0.00 -0.11 0.00 0.00 0.00 174.94 175.54