#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 2.51 0.14 0.52 1.01 -1.26 -1.42 121.20 122.70 1gwp s ILE 2 Ca 0.00 -1.07 -0.03 0.00 0.00 0.00 0.00 60.65 59.56 1gwp s ILE 2 Cb 0.00 -1.97 -0.03 0.00 0.01 0.00 0.00 42.46 40.47 1gwp s ILE 2 CO 0.00 0.49 0.11 0.68 0.00 0.00 0.00 174.94 176.22 1gwp s VAL 3 N -0.75 0.09 -0.02 2.92 -7.23 -0.04 -4.97 120.40 110.40 1gwp s VAL 3 Ca 0.12 -1.82 -0.19 0.00 -1.81 0.00 0.00 61.98 58.28 1gwp s VAL 3 Cb -0.10 -2.04 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 1gwp s VAL 3 CO 0.01 -0.40 0.54 -1.10 -0.31 0.00 0.00 175.10 173.85 1gwp s GLN 4 N -4.04 4.25 0.13 4.82 -0.21 -1.26 -1.05 119.66 122.30 1gwp s GLN 4 Ca 0.24 0.63 0.01 0.00 0.02 0.00 0.00 55.36 56.26 1gwp s GLN 4 Cb 0.07 -3.33 -0.00 0.00 1.00 0.00 0.00 33.01 30.74 1gwp s GLN 4 CO 0.02 0.40 0.14 0.27 -2.12 0.00 0.00 175.29 174.00 1gwp n ASN 5 N 2.70 -0.38 0.00 5.90 0.23 0.13 -4.92 115.26 118.93 1gwp n ASN 5 Ca -0.08 -1.76 0.00 0.00 -0.53 0.00 0.00 54.58 52.21 1gwp n ASN 5 Cb 0.51 0.78 0.00 0.00 -2.08 0.00 0.00 39.78 39.00 1gwp n ASN 5 CO 0.00 0.00 0.00 0.18 -0.93 0.00 0.00 177.26 176.51 1gwp n LEU 6 N 0.00 0.00 0.00 -4.53 4.77 -1.26 -1.64 117.00 114.34 1gwp n LEU 6 Ca 0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.00 1gwp n LEU 6 Cb 0.22 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.31 1gwp n LEU 6 CO 0.11 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.17 1gwp n GLN 7 N 0.00 0.00 -0.85 3.23 0.00 -1.26 -4.95 117.38 113.55 1gwp n GLN 7 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 56.96 1gwp n GLN 7 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 30.24 30.20 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 0.00 0.11 3.47 2.61 0.00 -1.11 -5.14 105.19 105.12 1gwp n GLY 8 Ca 0.00 -0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 1gwp n GLY 8 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1gwp s GLN 9 N 0.00 1.69 -0.14 1.61 0.74 -0.65 -4.97 119.66 117.93 1gwp s GLN 9 Ca 0.00 -1.52 -0.03 0.00 0.05 0.00 0.00 55.36 53.86 1gwp s GLN 9 Cb 0.01 -1.90 -0.03 0.00 1.10 0.00 0.00 33.01 32.19 1gwp s GLN 9 CO -0.00 0.39 -0.03 -1.64 -0.55 0.00 0.00 175.29 173.45 1gwp s MET 10 N -2.92 3.55 0.04 1.67 -1.94 -1.26 0.23 119.30 118.66 1gwp s MET 10 Ca 0.24 -0.51 -0.05 0.00 -1.71 0.00 0.00 55.69 53.66 1gwp s MET 10 Cb -0.07 -2.88 -0.02 0.00 2.01 0.00 0.00 34.83 33.87 1gwp s MET 10 CO 0.12 0.32 0.07 0.14 -0.01 0.00 0.00 175.02 175.67 1gwp s VAL 11 N 0.15 0.15 0.23 -6.03 -7.23 -0.22 -4.96 120.40 102.49 1gwp s VAL 11 Ca -0.01 -1.20 -0.02 0.00 -1.81 0.00 0.00 61.98 58.94 1gwp s VAL 11 Cb -0.14 -0.99 -0.04 0.00 0.56 0.00 0.00 36.38 35.77 1gwp s VAL 11 CO 0.03 -0.66 0.44 -1.38 -0.31 0.00 0.00 175.10 173.21 1gwp s HIS 12 N -2.84 3.48 -0.32 2.82 -3.43 -1.26 -0.86 115.29 112.88 1gwp s HIS 12 Ca -0.03 0.42 0.10 0.00 -0.80 0.00 0.00 55.06 54.74 1gwp s HIS 12 Cb 0.00 -1.92 0.46 0.00 -1.43 0.00 0.00 32.58 29.69 1gwp s HIS 12 CO -0.06 0.32 1.14 0.00 -2.00 0.00 0.00 174.74 174.14 1gwp n GLN 13 N -0.77 3.12 -0.22 -0.38 10.64 -0.51 -4.94 117.38 124.33 1gwp n GLN 13 Ca -0.04 -4.09 0.03 0.00 -1.83 0.00 0.00 57.00 51.07 1gwp n GLN 13 Cb 0.54 -2.10 -0.01 0.00 -0.86 0.00 0.00 30.24 27.81 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 -0.60 -1.09 -2.25 2.61 0.00 -1.26 -4.82 120.51 113.10 1gwp n ALA 14 Ca 0.35 0.07 -0.14 0.00 0.00 0.00 0.00 53.44 53.71 1gwp n ALA 14 Cb 0.86 -0.33 0.09 0.00 0.00 0.00 0.00 19.45 20.07 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 -1.19 0.00 -4.46 0.00 3.06 -1.26 -4.07 119.36 111.44 1gwp n ILE 15 Ca 0.00 -0.90 -0.25 0.00 -2.50 0.00 0.00 62.75 59.11 1gwp n ILE 15 Cb 0.10 -1.23 -0.13 0.00 0.54 0.00 0.00 39.64 38.92 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 -3.69 2.55 0.09 9.51 0.15 -1.26 -5.04 113.70 116.00 1gwp s SER 16 Ca 0.43 -0.61 -0.13 0.00 0.70 0.00 0.00 55.95 56.34 1gwp s SER 16 Cb -0.02 -0.17 -0.20 0.00 -1.71 0.00 0.00 66.02 63.92 1gwp s SER 16 CO 0.29 0.11 1.24 1.55 1.20 0.00 0.00 173.24 177.63 1gwp h PRO 17 N 4.44 0.73 -0.21 5.44 0.13 -1.99 -1.89 132.00 138.64 1gwp h PRO 17 Ca -0.45 -0.71 -0.03 0.00 -0.87 0.00 0.00 66.00 63.94 1gwp h PRO 17 Cb 1.17 0.18 -0.01 0.00 0.13 0.00 0.00 31.00 32.47 1gwp h PRO 17 CO 0.41 1.30 -0.00 0.00 -0.23 0.00 0.00 178.00 179.48 1gwp h ARG 18 N 0.45 0.31 0.13 0.86 3.08 -1.97 0.60 114.38 117.82 1gwp h ARG 18 Ca -0.10 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 59.90 1gwp h ARG 18 Cb 1.58 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.58 1gwp h ARG 18 CO 0.19 0.34 -0.06 1.15 -1.07 0.00 0.00 179.97 180.52 1gwp h THR 19 N 0.30 0.77 -1.01 2.04 2.02 -1.97 -1.58 112.91 113.48 1gwp h THR 19 Ca 0.07 -1.25 0.03 0.00 0.77 0.00 0.00 66.41 66.03 1gwp h THR 19 Cb 0.21 1.35 -0.06 0.00 -1.74 0.00 0.00 68.15 67.92 1gwp h THR 19 CO 0.00 0.22 0.66 -0.07 0.37 0.00 0.00 175.52 176.71 1gwp h LEU 20 N -0.93 1.12 0.96 2.58 3.38 -1.22 0.27 115.31 121.47 1gwp h LEU 20 Ca -0.02 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 1gwp h LEU 20 Cb 0.49 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 40.99 1gwp h LEU 20 CO 0.03 0.77 -0.46 -1.13 0.09 0.00 0.00 178.44 177.74 1gwp h ASN 21 N 1.30 -1.10 -0.72 -0.43 -0.73 0.13 0.17 115.58 114.20 1gwp h ASN 21 Ca 0.39 0.04 0.13 0.00 1.87 0.00 0.00 56.30 58.74 1gwp h ASN 21 Cb -0.04 0.28 -0.09 0.00 0.27 0.00 0.00 38.32 38.74 1gwp h ASN 21 CO -0.11 -0.77 0.27 0.00 -0.37 0.00 0.00 177.43 176.44 1gwp h ALA 22 N -1.38 0.98 0.38 1.57 0.00 -1.00 -0.56 119.26 119.25 1gwp h ALA 22 Ca -0.13 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.89 1gwp h ALA 22 Cb 0.99 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1gwp h ALA 22 CO 0.22 -0.22 -0.52 2.35 0.00 0.00 0.00 179.25 181.08 1gwp h TRP 23 N 0.41 -1.45 -0.94 0.00 2.91 -0.20 0.55 115.95 117.23 1gwp h TRP 23 Ca 0.39 0.02 0.28 0.00 1.13 0.00 0.00 58.89 60.71 1gwp h TRP 23 Cb 0.58 0.58 -0.15 0.00 -0.51 0.00 0.00 29.16 29.66 1gwp h TRP 23 CO -0.18 -0.65 0.33 0.28 -1.03 0.00 0.00 178.44 177.18 1gwp h VAL 24 N -0.93 0.23 -0.59 2.65 2.07 0.57 1.76 116.25 122.02 1gwp h VAL 24 Ca -0.04 -0.06 -0.09 0.00 0.82 0.00 0.00 66.70 67.32 1gwp h VAL 24 Cb 0.84 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 1gwp h VAL 24 CO -0.14 0.03 -0.01 0.11 0.02 0.00 0.00 177.57 177.59 1gwp h LYS 25 N 0.19 1.03 -0.57 1.57 1.57 0.38 0.38 116.57 121.12 1gwp h LYS 25 Ca 0.64 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 59.08 1gwp h LYS 25 Cb 1.40 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.59 1gwp h LYS 25 CO -0.69 1.01 0.29 0.28 -0.57 0.00 0.00 179.45 179.77 1gwp h VAL 26 N 0.94 1.20 -0.42 0.50 2.07 0.76 0.40 116.25 121.70 1gwp h VAL 26 Ca 0.17 -0.55 -0.15 0.00 0.82 0.00 0.00 66.70 66.99 1gwp h VAL 26 Cb 0.55 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.83 1gwp h VAL 26 CO 0.03 0.22 -0.33 0.58 0.02 0.00 0.00 177.57 178.09 1gwp h VAL 27 N 0.77 1.27 0.00 2.57 2.07 0.20 0.71 116.25 123.83 1gwp h VAL 27 Ca 0.20 -1.51 -0.02 0.00 0.82 0.00 0.00 66.70 66.19 1gwp h VAL 27 Cb 0.10 1.30 -0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1gwp h VAL 27 CO -0.03 0.51 -0.10 -0.08 0.02 0.00 0.00 177.57 177.89 1gwp h GLU 28 N 0.80 0.00 0.05 1.57 4.57 0.22 1.89 114.58 123.68 1gwp h GLU 28 Ca 0.08 0.00 -0.34 0.00 -1.18 0.00 0.00 59.36 57.91 1gwp h GLU 28 Cb 0.93 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.47 1gwp h GLU 28 CO 0.09 0.10 -2.01 -1.91 -1.18 0.00 0.00 179.01 174.10 1gwp n GLU 29 N -3.32 0.69 -0.02 1.92 2.13 0.14 -4.74 120.64 117.44 1gwp n GLU 29 Ca -0.01 0.23 -0.02 0.00 0.66 0.00 0.00 57.16 58.02 1gwp n GLU 29 Cb 0.30 -1.69 -0.01 0.00 0.27 0.00 0.00 31.44 30.31 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 -3.21 0.12 -0.87 5.31 4.01 0.24 -5.07 118.16 118.69 1gwp n LYS 30 Ca -0.29 0.05 0.00 0.00 -0.51 0.00 0.00 58.31 57.56 1gwp n LYS 30 Cb 1.06 -0.65 0.00 0.00 -0.51 0.00 0.00 35.03 34.93 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 -2.98 -0.50 -2.88 7.82 0.00 0.64 -4.72 120.51 117.88 1gwp n ALA 31 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.37 1gwp n ALA 31 Cb 0.12 -0.18 0.01 0.00 0.00 0.00 0.00 19.45 19.39 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 -0.76 -3.14 -4.70 0.00 3.01 -1.26 -5.06 117.46 105.55 1gwp n PHE 32 Ca 0.00 1.24 -0.31 0.00 1.01 0.00 0.00 57.45 59.39 1gwp n PHE 32 Cb 0.29 -4.00 -0.09 0.00 -0.01 0.00 0.00 39.48 35.67 1gwp n PHE 32 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 1gwp s SER 33 N -2.73 3.98 0.00 4.37 0.01 -1.26 -4.89 113.70 113.19 1gwp s SER 33 Ca 0.13 -1.55 0.24 0.00 1.31 0.00 0.00 55.95 56.08 1gwp s SER 33 Cb -0.04 0.19 1.38 0.00 0.21 0.00 0.00 66.02 67.76 1gwp s SER 33 CO 0.73 -0.71 1.79 -0.81 0.41 0.00 0.00 173.24 174.65 1gwp n PRO 34 N -1.14 0.67 -0.07 12.44 -0.04 -1.26 -1.97 135.00 143.62 1gwp n PRO 34 Ca -0.14 0.01 0.07 0.00 -0.04 0.00 0.00 63.50 63.41 1gwp n PRO 34 Cb 0.67 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.73 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 -1.06 1.57 -0.01 0.54 1.02 -1.26 -4.27 120.64 117.17 1gwp n GLU 35 Ca 0.17 -1.63 0.07 0.00 -0.02 0.00 0.00 57.16 55.75 1gwp n GLU 35 Cb 0.10 -1.30 -0.10 0.00 -0.02 0.00 0.00 31.44 30.11 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 0.83 0.00 -0.22 2.62 3.14 -0.83 -4.06 118.33 119.81 1gwp n VAL 36 Ca 0.11 -0.30 -0.08 0.00 -2.96 0.00 0.00 64.34 61.11 1gwp n VAL 36 Cb 0.40 0.32 0.03 0.00 -1.06 0.00 0.00 33.84 33.53 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 1.24 -0.03 1.55 1.08 -1.73 0.15 117.51 119.76 1gwp h ILE 37 Ca 0.00 -0.80 -0.21 0.00 -0.39 0.00 0.00 64.86 63.46 1gwp h ILE 37 Cb 0.59 0.62 -0.00 0.00 -3.07 0.00 0.00 36.82 34.96 1gwp h ILE 37 CO 0.00 0.31 -0.85 1.55 -0.69 0.00 0.00 178.15 178.47 1gwp h PRO 38 N 0.86 0.39 -0.37 2.37 0.13 -1.80 -1.80 132.00 131.77 1gwp h PRO 38 Ca 0.20 -0.38 -0.10 0.00 -0.87 0.00 0.00 66.00 64.84 1gwp h PRO 38 Cb 0.26 0.10 -0.02 0.00 0.13 0.00 0.00 31.00 31.48 1gwp h PRO 38 CO -0.01 1.04 -0.20 0.52 -0.23 0.00 0.00 178.00 179.12 1gwp h MET 39 N 0.24 0.71 -0.05 0.86 2.86 -1.64 -0.85 114.93 117.06 1gwp h MET 39 Ca -0.06 -0.27 -0.10 0.00 -2.06 0.00 0.00 59.70 57.22 1gwp h MET 39 Cb 1.46 -0.04 0.01 0.00 0.06 0.00 0.00 31.60 33.08 1gwp h MET 39 CO 0.15 0.86 -0.36 0.35 1.06 0.00 0.00 176.91 178.96 1gwp h PHE 40 N 0.63 0.46 -0.99 -0.22 3.57 -0.71 0.12 116.94 119.80 1gwp h PHE 40 Ca 0.09 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.39 1gwp h PHE 40 Cb 0.68 -0.07 -0.05 0.00 2.79 0.00 0.00 35.95 39.30 1gwp h PHE 40 CO 0.03 0.97 0.65 0.66 -2.23 0.00 0.00 178.31 178.40 1gwp h SER 41 N -0.18 1.14 0.62 0.41 4.64 -1.28 -0.96 113.55 117.94 1gwp h SER 41 Ca -0.03 -0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 61.06 1gwp h SER 41 Cb 1.03 -0.29 -0.01 0.00 -0.31 0.00 0.00 62.40 62.83 1gwp h SER 41 CO 0.07 0.83 -0.86 0.00 -0.87 0.00 0.00 176.83 176.00 1gwp h ALA 42 N 1.38 0.55 -0.57 5.18 0.00 -1.17 -1.05 119.26 123.57 1gwp h ALA 42 Ca 0.36 -0.72 0.03 0.00 0.00 0.00 0.00 54.91 54.58 1gwp h ALA 42 Cb -0.15 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.52 1gwp h ALA 42 CO -0.08 0.93 0.34 -0.07 0.00 0.00 0.00 179.25 180.37 1gwp h LEU 43 N 0.09 0.54 0.00 0.00 3.38 0.30 -3.35 115.31 116.26 1gwp h LEU 43 Ca -0.04 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1gwp h LEU 43 Cb 1.49 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 42.13 1gwp h LEU 43 CO 0.13 0.37 0.00 -0.24 0.09 0.00 0.00 178.44 178.79 1gwp n SER 44 N -4.78 0.00 0.00 -0.43 2.88 -0.47 -4.91 113.62 105.91 1gwp n SER 44 Ca 0.05 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.59 1gwp n SER 44 Cb 0.09 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.55 1gwp n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1gwp n GLU 45 N -0.60 0.00 0.00 -1.46 2.13 -0.40 -3.94 120.64 116.37 1gwp n GLU 45 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1gwp n GLU 45 Cb 0.00 -0.91 0.00 0.00 0.27 0.00 0.00 31.44 30.80 1gwp n GLU 45 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1gwp n GLY 46 N -2.00 0.00 3.78 8.31 0.00 -1.26 -4.38 105.19 109.63 1gwp n GLY 46 Ca 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 2.35 1.14 4.61 0.00 -1.25 -4.39 121.76 124.22 1gwp s ALA 47 Ca 0.00 0.26 -0.12 0.00 0.00 0.00 0.00 51.96 52.10 1gwp s ALA 47 Cb 0.00 -3.26 0.18 0.00 0.00 0.00 0.00 23.12 20.04 1gwp s ALA 47 CO 0.00 -1.62 0.66 0.25 0.00 0.00 0.00 175.76 175.05 1gwp n THR 48 N -3.35 0.00 0.05 0.00 -2.24 -1.26 -4.67 114.28 102.81 1gwp n THR 48 Ca 0.09 -0.31 -0.14 0.00 -2.27 0.00 0.00 64.05 61.42 1gwp n THR 48 Cb 0.53 -1.19 -0.04 0.00 -2.10 0.00 0.00 70.33 67.54 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 0.50 -0.09 -0.78 0.13 -1.92 -1.34 132.00 128.50 1gwp h PRO 49 Ca -0.25 -0.49 -0.17 0.00 -0.87 0.00 0.00 66.00 64.23 1gwp h PRO 49 Cb 0.74 0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.99 1gwp h PRO 49 CO 0.16 1.13 -0.66 0.37 -0.23 0.00 0.00 178.00 178.77 1gwp h GLN 50 N 0.31 0.37 0.40 0.86 4.15 -1.95 0.91 115.11 120.16 1gwp h GLN 50 Ca -0.07 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.05 1gwp h GLN 50 Cb 1.51 0.05 0.00 0.00 0.21 0.00 0.00 27.48 29.25 1gwp h GLN 50 CO 0.16 0.90 -0.19 -0.44 -1.93 0.00 0.00 178.83 177.33 1gwp h ASP 51 N 0.27 -0.45 -0.84 -0.69 5.19 -1.91 -0.56 116.42 117.42 1gwp h ASP 51 Ca -0.02 -0.09 0.06 0.00 -0.62 0.00 0.00 57.03 56.36 1gwp h ASP 51 Cb 1.21 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 40.78 1gwp h ASP 51 CO 0.11 -0.02 0.52 -0.07 -3.12 0.00 0.00 179.24 176.66 1gwp h LEU 52 N -1.05 0.83 -0.75 1.55 3.38 -1.31 0.29 115.31 118.24 1gwp h LEU 52 Ca -0.05 0.01 0.03 0.00 0.09 0.00 0.00 57.88 57.96 1gwp h LEU 52 Cb 0.51 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.06 1gwp h LEU 52 CO 0.09 0.54 0.48 -1.13 0.09 0.00 0.00 178.44 178.51 1gwp h ASN 53 N 0.97 0.79 -0.01 -0.43 -1.24 -0.83 -0.23 115.58 114.59 1gwp h ASN 53 Ca 0.36 -0.00 -0.11 0.00 0.71 0.00 0.00 56.30 57.25 1gwp h ASN 53 Cb 0.14 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.00 1gwp h ASN 53 CO -0.16 0.55 -0.34 0.74 -1.29 0.00 0.00 177.43 176.93 1gwp h THR 54 N 0.94 1.29 -0.56 -3.57 2.02 0.39 0.19 112.91 113.60 1gwp h THR 54 Ca 0.30 -1.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.00 1gwp h THR 54 Cb -0.00 1.49 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1gwp h THR 54 CO -0.10 0.45 0.23 0.24 0.37 0.00 0.00 175.52 176.71 1gwp h MET 55 N 0.42 0.84 -0.02 6.66 2.86 0.64 0.44 114.93 126.77 1gwp h MET 55 Ca 0.05 -0.15 -0.13 0.00 -2.06 0.00 0.00 59.70 57.41 1gwp h MET 55 Cb 0.80 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.33 1gwp h MET 55 CO 0.06 0.73 -0.48 -0.07 1.06 0.00 0.00 176.91 178.22 1gwp h LEU 56 N 0.77 0.45 -2.34 1.22 4.07 -0.94 -3.04 115.31 115.50 1gwp h LEU 56 Ca 0.19 -0.74 -0.01 0.00 0.08 0.00 0.00 57.88 57.40 1gwp h LEU 56 Cb 0.20 -0.14 -0.00 0.00 1.08 0.00 0.00 40.66 41.80 1gwp h LEU 56 CO -0.02 1.13 -0.04 0.78 -1.08 0.00 0.00 178.44 179.21 1gwp h ASN 57 N -0.18 0.00 -0.76 -0.43 4.21 -0.52 -1.38 115.58 116.52 1gwp h ASN 57 Ca -0.05 0.00 -0.06 0.00 1.21 0.00 0.00 56.30 57.40 1gwp h ASN 57 Cb 1.19 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 38.35 1gwp h ASN 57 CO 0.09 0.04 0.24 0.74 -1.29 0.00 0.00 177.43 177.26 1gwp h THR 58 N 0.00 1.26 -1.61 2.81 2.02 -0.00 -3.45 112.91 113.94 1gwp h THR 58 Ca -0.00 -0.91 -0.48 0.00 0.77 0.00 0.00 66.41 65.79 1gwp h THR 58 Cb 0.14 0.42 0.25 0.00 -1.74 0.00 0.00 68.15 67.22 1gwp h THR 58 CO 0.01 0.36 -2.01 0.55 0.37 0.00 0.00 175.52 174.80 1gwp n VAL 59 N -4.25 0.00 0.03 3.16 3.14 -0.52 -4.84 118.33 115.05 1gwp n VAL 59 Ca 0.06 -0.15 -0.14 0.00 -2.96 0.00 0.00 64.34 61.16 1gwp n VAL 59 Cb 0.23 -0.25 -0.09 0.00 -1.06 0.00 0.00 33.84 32.67 1gwp n VAL 59 CO 0.00 0.00 0.00 1.23 -6.46 0.00 0.00 176.83 171.60 1gwp h GLY 60 N -1.44 -1.16 0.00 7.55 0.00 -1.86 -3.46 103.07 102.71 1gwp h GLY 60 Ca -0.45 0.66 0.00 0.00 0.00 0.00 0.00 47.33 47.54 1gwp h GLY 60 CO 0.28 -0.26 0.00 0.61 0.00 0.00 0.00 176.54 177.17 1gwp n GLY 61 N -1.40 -0.40 3.59 4.60 0.00 -1.26 -5.11 105.19 105.21 1gwp n GLY 61 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 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 2.73 0.11 1.61 3.76 -1.26 -4.88 115.29 117.36 1gwp s HIS 62 Ca 0.00 0.60 -0.15 0.00 -0.15 0.00 0.00 55.06 55.36 1gwp s HIS 62 Cb 0.00 -4.47 -0.06 0.00 1.11 0.00 0.00 32.58 29.15 1gwp s HIS 62 CO 0.00 -1.40 1.46 0.37 -0.85 0.00 0.00 174.74 174.33 1gwp h GLN 63 N 9.36 0.72 0.00 1.40 4.15 -1.99 0.18 115.11 128.92 1gwp h GLN 63 Ca -0.24 -0.34 -0.00 0.00 0.77 0.00 0.00 58.65 58.85 1gwp h GLN 63 Cb 1.06 -0.01 0.00 0.00 0.21 0.00 0.00 27.48 28.74 1gwp h GLN 63 CO 1.15 0.94 -0.00 0.00 -1.93 0.00 0.00 178.83 179.00 1gwp h ALA 64 N 0.76 -0.00 0.10 3.38 0.00 -1.98 0.41 119.26 121.92 1gwp h ALA 64 Ca 0.07 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gwp h ALA 64 Cb 0.76 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 1gwp h ALA 64 CO 0.06 -0.40 -0.09 0.00 0.00 0.00 0.00 179.25 178.82 1gwp h ALA 65 N 0.80 -0.17 -0.98 0.00 0.00 -1.96 -1.27 119.26 115.67 1gwp h ALA 65 Ca -0.00 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 54.93 1gwp h ALA 65 Cb 0.20 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.05 1gwp h ALA 65 CO 0.00 -0.61 0.64 0.52 0.00 0.00 0.00 179.25 179.80 1gwp h MET 66 N -0.20 1.17 0.03 0.00 2.07 -0.55 -1.05 114.93 116.40 1gwp h MET 66 Ca 0.00 -0.07 0.02 0.00 -2.07 0.00 0.00 59.70 57.58 1gwp h MET 66 Cb 0.19 -0.26 -0.02 0.00 -1.87 0.00 0.00 31.60 29.63 1gwp h MET 66 CO -0.02 0.77 -0.11 0.37 1.07 0.00 0.00 176.91 178.99 1gwp h GLN 67 N 1.21 -0.20 -0.89 1.72 4.15 0.41 0.50 115.11 122.00 1gwp h GLN 67 Ca 0.40 0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.85 1gwp h GLN 67 Cb 0.06 0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.76 1gwp h GLN 67 CO -0.14 -0.13 0.59 0.52 -1.93 0.00 0.00 178.83 177.74 1gwp h MET 68 N -0.21 1.17 -0.38 1.69 2.86 -0.74 -0.74 114.93 118.58 1gwp h MET 68 Ca 0.03 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 1gwp h MET 68 Cb 0.25 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.62 1gwp h MET 68 CO -0.09 0.77 0.05 1.25 1.06 0.00 0.00 176.91 179.95 1gwp h LEU 69 N 1.21 0.53 -0.03 1.22 6.46 -0.57 0.18 115.31 124.32 1gwp h LEU 69 Ca 0.33 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 1gwp h LEU 69 Cb -0.14 -0.14 -0.00 0.00 -0.73 0.00 0.00 40.66 39.65 1gwp h LEU 69 CO -0.07 0.57 -0.01 0.50 -0.62 0.00 0.00 178.44 178.81 1gwp h LYS 70 N 0.56 0.06 -0.46 1.25 1.63 0.44 -0.35 116.57 119.69 1gwp h LYS 70 Ca 0.12 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.91 1gwp h LYS 70 Cb 0.28 -0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 31.88 1gwp h LYS 70 CO 0.00 0.42 0.31 1.49 -3.45 0.00 0.00 179.45 178.22 1gwp h GLU 71 N -0.31 0.61 0.83 1.90 4.22 -0.83 -0.99 114.58 120.02 1gwp h GLU 71 Ca 0.01 -0.04 -0.04 0.00 0.08 0.00 0.00 59.36 59.37 1gwp h GLU 71 Cb 0.40 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1gwp h GLU 71 CO 0.00 0.41 -0.49 1.15 -2.18 0.00 0.00 179.01 177.91 1gwp h THR 72 N 0.63 0.02 -0.75 0.32 2.02 -0.60 -0.22 112.91 114.33 1gwp h THR 72 Ca 0.17 0.00 0.17 0.00 0.77 0.00 0.00 66.41 67.52 1gwp h THR 72 Cb -0.07 0.02 -0.13 0.00 -1.74 0.00 0.00 68.15 66.24 1gwp h THR 72 CO -0.04 0.00 0.01 0.40 0.37 0.00 0.00 175.52 176.26 1gwp h ILE 73 N -1.22 0.34 -0.79 3.11 2.04 -0.95 1.25 117.51 121.29 1gwp h ILE 73 Ca -0.11 -0.04 0.07 0.00 1.00 0.00 0.00 64.86 65.78 1gwp h ILE 73 Cb 0.97 0.23 -0.05 0.00 -0.74 0.00 0.00 36.82 37.23 1gwp h ILE 73 CO 0.13 0.02 0.51 -1.13 0.00 0.00 0.00 178.15 177.68 1gwp h ASN 74 N 0.10 0.73 0.63 1.72 -0.73 -0.83 -1.33 115.58 115.87 1gwp h ASN 74 Ca 0.41 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.56 1gwp h ASN 74 Cb 0.72 -0.15 0.01 0.00 0.27 0.00 0.00 38.32 39.17 1gwp h ASN 74 CO -0.66 0.46 -0.30 -0.08 -0.37 0.00 0.00 177.43 176.48 1gwp h GLU 75 N 0.82 -0.82 -0.81 6.67 4.81 0.33 -1.05 114.58 124.53 1gwp h GLU 75 Ca 0.34 0.06 0.20 0.00 -0.13 0.00 0.00 59.36 59.83 1gwp h GLU 75 Cb 0.28 0.19 -0.13 0.00 0.63 0.00 0.00 28.75 29.72 1gwp h GLU 75 CO -0.12 -0.50 0.20 0.93 -0.73 0.00 0.00 179.01 178.79 1gwp h GLU 76 N -1.04 0.23 -0.16 1.92 4.39 -0.50 0.30 114.58 119.72 1gwp h GLU 76 Ca -0.09 -0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.60 1gwp h GLU 76 Cb 0.69 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.28 1gwp h GLU 76 CO 0.14 0.15 0.10 0.00 -1.16 0.00 0.00 179.01 178.24 1gwp h ALA 77 N 1.70 0.19 -0.47 3.43 0.00 -1.14 0.24 119.26 123.22 1gwp h ALA 77 Ca 0.48 -0.01 0.09 0.00 0.00 0.00 0.00 54.91 55.48 1gwp h ALA 77 Cb 0.90 -0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.56 1gwp h ALA 77 CO -0.59 -0.33 -0.03 0.00 0.00 0.00 0.00 179.25 178.29 1gwp h ALA 78 N 1.06 0.40 -0.48 0.00 0.00 0.85 0.24 119.26 121.33 1gwp h ALA 78 Ca 0.06 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.11 1gwp h ALA 78 Cb -0.01 0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 1gwp h ALA 78 CO -0.02 -0.41 0.27 0.93 0.00 0.00 0.00 179.25 180.02 1gwp h GLU 79 N 0.08 0.65 -0.53 0.00 5.08 -0.46 -0.84 114.58 118.56 1gwp h GLU 79 Ca 0.23 -0.06 0.01 0.00 -1.00 0.00 0.00 59.36 58.54 1gwp h GLU 79 Cb 0.35 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.44 1gwp h GLU 79 CO -0.42 0.48 0.35 2.35 -1.00 0.00 0.00 179.01 180.77 1gwp h TRP 80 N 0.66 0.66 -0.29 4.33 2.91 0.15 0.38 115.95 124.75 1gwp h TRP 80 Ca 0.17 0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.20 1gwp h TRP 80 Cb 0.01 -0.22 -0.01 0.00 -0.51 0.00 0.00 29.16 28.43 1gwp h TRP 80 CO 0.00 0.41 0.14 0.22 -1.03 0.00 0.00 178.44 178.18 1gwp h ASP 81 N 0.71 0.38 -1.00 2.65 1.82 -0.04 0.91 116.42 121.85 1gwp h ASP 81 Ca 0.20 -0.13 0.03 0.00 -0.39 0.00 0.00 57.03 56.74 1gwp h ASP 81 Cb -0.07 -0.10 -0.06 0.00 0.68 0.00 0.00 39.33 39.79 1gwp h ASP 81 CO -0.05 0.40 0.66 -0.09 -1.61 0.00 0.00 179.24 178.55 1gwp h ARG 82 N 0.33 1.25 0.00 0.28 9.65 -0.55 -3.34 114.38 122.01 1gwp h ARG 82 Ca 0.10 -0.08 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1gwp h ARG 82 Cb 0.13 -0.28 0.00 0.00 -1.39 0.00 0.00 29.97 28.42 1gwp h ARG 82 CO -0.01 0.83 0.00 1.28 2.80 0.00 0.00 179.97 184.87 1gwp n LEU 83 N -4.43 2.85 -4.64 3.80 4.77 0.13 -4.76 117.00 114.73 1gwp n LEU 83 Ca 0.13 0.02 -0.43 0.00 -0.03 0.00 0.00 56.01 55.70 1gwp n LEU 83 Cb 0.08 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 1gwp n LEU 83 CO 0.35 0.00 1.31 -1.00 -1.33 0.00 0.00 177.39 176.72 1gwp s HIS 84 N -0.03 2.24 0.00 -1.77 3.76 0.31 -5.00 115.29 114.80 1gwp s HIS 84 Ca 0.00 0.58 0.00 0.00 -0.15 0.00 0.00 55.06 55.49 1gwp s HIS 84 Cb 0.00 -3.91 0.00 0.00 1.11 0.00 0.00 32.58 29.78 1gwp s HIS 84 CO 0.00 -2.79 0.00 -0.35 -0.85 0.00 0.00 174.74 170.75 1gwp n PRO 85 N 7.41 -0.47 -3.86 8.40 -0.04 -1.26 -4.16 135.00 141.02 1gwp n PRO 85 Ca 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 1gwp n PRO 85 Cb 0.45 0.00 0.01 0.00 -0.04 0.00 0.00 33.50 33.92 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 -0.98 0.00 -0.14 0.52 0.11 -1.26 -4.84 120.40 113.81 1gwp s VAL 86 Ca 0.00 -0.59 -0.03 0.00 -2.93 0.00 0.00 61.98 58.44 1gwp s VAL 86 Cb 0.00 -2.75 -0.02 0.00 -1.53 0.00 0.00 36.38 32.07 1gwp s VAL 86 CO 0.00 0.00 -0.06 -2.28 -3.33 0.00 0.00 175.10 169.43 1gwp s HIS 87 N -2.32 2.97 0.19 1.54 2.46 -1.26 -5.00 115.29 113.87 1gwp s HIS 87 Ca 0.20 -0.34 0.00 0.00 0.47 0.00 0.00 55.06 55.39 1gwp s HIS 87 Cb -0.02 -1.91 0.00 0.00 -0.13 0.00 0.00 32.58 30.52 1gwp s HIS 87 CO 0.05 -0.04 0.00 0.00 -2.47 0.00 0.00 174.74 172.28 1gwp n ALA 88 N 3.41 -1.56 -1.12 1.58 0.00 -1.26 -4.90 120.51 116.67 1gwp n ALA 88 Ca -0.18 0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.54 1gwp n ALA 88 Cb 0.53 -0.59 0.00 0.00 0.00 0.00 0.00 19.45 19.39 1gwp n ALA 88 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1gwp n GLY 89 N -3.10 1.45 3.78 0.00 0.00 -1.26 -5.00 105.19 101.06 1gwp n GLY 89 Ca -0.01 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.37 0.41 1.61 0.04 -1.26 -5.09 135.00 131.08 1gwp s PRO 90 Ca 0.00 -0.00 0.07 0.00 0.04 0.00 0.00 61.00 61.11 1gwp s PRO 90 Cb 0.00 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.70 1gwp s PRO 90 CO 0.00 -2.66 0.11 -1.50 0.04 0.00 0.00 177.00 172.98 1gwp s ILE 91 N -3.38 2.18 0.15 0.56 2.07 -1.26 -5.08 121.20 116.43 1gwp s ILE 91 Ca 0.69 -1.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.10 1gwp s ILE 91 Cb -0.10 -3.00 -0.04 0.00 0.13 0.00 0.00 42.46 39.45 1gwp s ILE 91 CO 0.54 -0.00 0.32 0.00 -1.91 0.00 0.00 174.94 173.88 1gwp s ALA 92 N -2.65 3.91 -1.09 1.50 0.00 -1.26 -5.01 121.76 117.17 1gwp s ALA 92 Ca 0.38 -0.88 -0.22 0.00 0.00 0.00 0.00 51.96 51.24 1gwp s ALA 92 Cb 0.06 -1.90 -0.00 0.00 0.00 0.00 0.00 23.12 21.28 1gwp s ALA 92 CO 0.21 0.57 1.76 -1.25 0.00 0.00 0.00 175.76 177.04 1gwp s PRO 93 N -3.07 3.16 0.00 0.00 0.04 -1.26 -1.88 135.00 131.99 1gwp s PRO 93 Ca 0.37 -1.11 0.00 0.00 0.04 0.00 0.00 61.00 60.29 1gwp s PRO 93 Cb -0.11 -5.30 0.00 0.00 0.04 0.00 0.00 34.50 29.13 1gwp s PRO 93 CO 0.28 -2.92 0.00 0.41 0.04 0.00 0.00 177.00 174.81 1gwp n GLY 94 N 6.30 0.17 3.58 0.56 0.00 -1.26 -5.11 105.19 109.43 1gwp n GLY 94 Ca 0.41 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 46.02 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 3.81 -1.37 1.61 -1.52 -0.79 -4.97 119.66 116.43 1gwp s GLN 95 Ca 0.00 0.09 -0.09 0.00 -1.95 0.00 0.00 55.36 53.41 1gwp s GLN 95 Cb 0.00 -3.75 0.10 0.00 -0.22 0.00 0.00 33.01 29.14 1gwp s GLN 95 CO 0.00 -0.56 2.23 -0.12 -0.25 0.00 0.00 175.29 176.60 1gwp n MET 96 N 5.75 3.77 -1.99 2.91 0.00 -1.26 -4.67 117.12 121.63 1gwp n MET 96 Ca -0.03 -3.16 -0.29 0.00 -0.00 0.00 0.00 57.70 54.21 1gwp n MET 96 Cb 0.49 -2.89 0.18 0.00 0.00 0.00 0.00 33.22 31.00 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 0.69 0.75 0.01 2.12 6.06 -1.26 -4.95 118.95 122.38 1gwp s ARG 97 Ca 0.49 -0.46 -0.31 0.00 -2.50 0.00 0.00 55.73 52.94 1gwp s ARG 97 Cb 0.14 -1.89 -0.10 0.00 0.06 0.00 0.00 34.95 33.16 1gwp s ARG 97 CO -0.05 -2.32 1.93 -1.91 -2.50 0.00 0.00 175.30 170.46 1gwp n GLU 98 N -3.68 2.68 -2.31 5.12 2.13 -1.26 -4.86 120.64 118.45 1gwp n GLU 98 Ca 0.15 0.98 -0.34 0.00 0.66 0.00 0.00 57.16 58.61 1gwp n GLU 98 Cb 0.60 -2.90 -0.04 0.00 0.27 0.00 0.00 31.44 29.36 1gwp n GLU 98 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1gwp s PRO 99 N 4.15 3.09 -1.19 5.31 0.04 -1.26 -4.90 135.00 140.24 1gwp s PRO 99 Ca 0.89 -0.71 -0.17 0.00 0.04 0.00 0.00 61.00 61.06 1gwp s PRO 99 Cb -0.51 -5.21 0.12 0.00 0.04 0.00 0.00 34.50 28.94 1gwp s PRO 99 CO 0.44 -2.77 1.51 -0.98 0.04 0.00 0.00 177.00 175.24 1gwp s ARG 100 N 5.97 3.94 -0.02 4.56 3.03 -1.26 -4.71 118.95 130.46 1gwp s ARG 100 Ca 0.58 -2.12 -0.01 0.00 2.03 0.00 0.00 55.73 56.20 1gwp s ARG 100 Cb -0.03 -5.25 0.00 0.00 -1.03 0.00 0.00 34.95 28.65 1gwp s ARG 100 CO -0.05 -1.99 0.02 0.41 -1.13 0.00 0.00 175.30 172.56 1gwp n GLY 101 N 5.03 -0.49 0.00 3.88 0.00 -1.25 -4.22 105.19 108.14 1gwp n GLY 101 Ca 0.39 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.57 1gwp n GLY 101 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1gwp n SER 102 N 2.29 0.00 0.10 1.61 7.64 -1.26 -4.48 113.62 119.52 1gwp n SER 102 Ca -0.04 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.80 1gwp n SER 102 Cb 0.12 0.00 0.09 0.00 -1.01 0.00 0.00 64.21 63.41 1gwp n SER 102 CO 0.00 0.00 0.00 0.44 -3.01 0.00 0.00 175.04 172.47 1gwp h ASP 103 N 0.00 0.16 -0.02 6.43 3.32 -1.87 -2.76 116.42 121.68 1gwp h ASP 103 Ca 0.00 -0.11 0.01 0.00 0.02 0.00 0.00 57.03 56.95 1gwp h ASP 103 Cb 0.00 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 1gwp h ASP 103 CO 0.00 0.81 0.29 0.40 -1.72 0.00 0.00 179.24 179.02 1gwp h ILE 104 N 0.09 0.02 0.00 0.35 2.04 -1.92 1.49 117.51 119.59 1gwp h ILE 104 Ca -0.02 0.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.75 1gwp h ILE 104 Cb 1.25 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 38.03 1gwp h ILE 104 CO 0.10 0.00 -1.02 0.00 0.00 0.00 0.00 178.15 177.23 1gwp h ALA 105 N 1.44 0.64 0.00 1.87 0.00 -1.87 -3.44 119.26 117.89 1gwp h ALA 105 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1gwp h ALA 105 Cb 0.59 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1gwp h ALA 105 CO -0.00 0.51 0.00 0.41 0.00 0.00 0.00 179.25 180.17 1gwp n GLY 106 N 1.28 0.62 0.23 0.00 0.00 0.51 -4.93 105.19 102.90 1gwp n GLY 106 Ca -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 46.02 45.76 1gwp n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gwp h THR 107 N 0.00 1.23 0.00 2.61 1.03 -1.75 -3.18 112.91 112.85 1gwp h THR 107 Ca 0.00 -1.04 0.00 0.00 -0.01 0.00 0.00 66.41 65.36 1gwp h THR 107 Cb 0.00 1.37 0.00 0.00 -1.07 0.00 0.00 68.15 68.45 1gwp h THR 107 CO 0.00 0.32 -1.03 0.41 -0.01 0.00 0.00 175.52 175.21 1gwp n THR 108 N -4.19 0.00 -4.31 0.00 -1.04 -1.26 -5.02 114.28 98.46 1gwp n THR 108 Ca -0.01 -0.21 -0.23 0.00 -2.04 0.00 0.00 64.05 61.56 1gwp n THR 108 Cb 0.34 0.53 -0.08 0.00 -1.82 0.00 0.00 70.33 69.30 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 -2.45 4.36 0.32 8.00 1.04 -1.20 -5.04 113.70 118.74 1gwp s SER 109 Ca -0.01 -0.76 0.05 0.00 0.48 0.00 0.00 55.95 55.71 1gwp s SER 109 Cb 0.04 -0.71 0.05 0.00 0.10 0.00 0.00 66.02 65.51 1gwp s SER 109 CO 0.27 -0.05 0.44 0.35 0.98 0.00 0.00 173.24 175.24 1gwp n THR 110 N -0.88 0.00 -0.18 2.02 -2.24 -1.26 -4.39 114.28 107.35 1gwp n THR 110 Ca -0.06 -1.06 -0.08 0.00 -2.27 0.00 0.00 64.05 60.59 1gwp n THR 110 Cb 0.60 -0.74 0.02 0.00 -2.10 0.00 0.00 70.33 68.10 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 0.68 -0.34 3.22 5.85 -1.99 -0.72 115.31 122.00 1gwp h LEU 111 Ca -0.15 -0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.47 1gwp h LEU 111 Cb 0.68 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.51 1gwp h LEU 111 CO 0.21 0.62 0.16 -0.61 -0.34 0.00 0.00 178.44 178.48 1gwp h GLN 112 N 0.69 0.32 -0.97 1.25 4.15 -1.99 -0.76 115.11 117.80 1gwp h GLN 112 Ca 0.18 -0.02 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1gwp h GLN 112 Cb 0.12 -0.07 -0.05 0.00 0.21 0.00 0.00 27.48 27.69 1gwp h GLN 112 CO -0.02 0.21 0.64 0.93 -1.93 0.00 0.00 178.83 178.67 1gwp h GLU 113 N 0.33 1.28 -0.34 1.69 4.39 -1.86 -0.53 114.58 119.55 1gwp h GLU 113 Ca 0.15 -0.08 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1gwp h GLU 113 Cb 0.07 -0.29 -0.02 0.00 -0.10 0.00 0.00 28.75 28.41 1gwp h GLU 113 CO -0.11 0.85 0.21 0.37 -1.16 0.00 0.00 179.01 179.17 1gwp h GLN 114 N 1.32 0.45 -0.33 2.33 -0.00 -0.30 -1.15 115.11 117.42 1gwp h GLN 114 Ca 0.36 -0.03 -0.04 0.00 -0.00 0.00 0.00 58.65 58.94 1gwp h GLN 114 Cb -0.15 -0.10 -0.02 0.00 0.00 0.00 0.00 27.48 27.21 1gwp h GLN 114 CO -0.08 0.32 0.05 0.82 0.00 0.00 0.00 178.83 179.94 1gwp h ILE 115 N 0.44 1.17 0.34 2.39 5.03 -0.59 -1.29 117.51 125.01 1gwp h ILE 115 Ca 0.12 -0.63 -0.02 0.00 -0.12 0.00 0.00 64.86 64.21 1gwp h ILE 115 Cb -0.02 0.87 0.00 0.00 -3.03 0.00 0.00 36.82 34.64 1gwp h ILE 115 CO -0.02 0.22 -0.16 1.23 -0.68 0.00 0.00 178.15 178.73 1gwp h GLY 116 N 0.75 -0.48 0.73 5.37 0.00 -0.20 0.88 103.07 110.12 1gwp h GLY 116 Ca 0.11 0.18 0.05 0.00 0.00 0.00 0.00 47.33 47.67 1gwp h GLY 116 CO 0.00 -0.17 0.34 1.49 0.00 0.00 0.00 176.54 178.20 1gwp h TRP 117 N -0.54 0.63 0.00 5.60 6.55 -0.99 0.94 115.95 128.14 1gwp h TRP 117 Ca -0.05 0.02 0.00 0.00 0.95 0.00 0.00 58.89 59.82 1gwp h TRP 117 Cb 0.40 -0.20 0.00 0.00 -0.86 0.00 0.00 29.16 28.51 1gwp h TRP 117 CO -0.03 0.32 0.00 -0.12 -1.05 0.00 0.00 178.44 177.56 1gwp n MET 118 N -4.80 0.06 -0.16 0.49 1.56 -0.51 -0.46 117.12 113.31 1gwp n MET 118 Ca 0.07 0.22 0.09 0.00 -0.27 0.00 0.00 57.70 57.81 1gwp n MET 118 Cb 0.14 -1.60 0.15 0.00 2.15 0.00 0.00 33.22 34.07 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 -1.70 1.95 -4.03 1.12 -1.04 0.30 -4.48 114.28 106.40 1gwp n THR 119 Ca 0.04 -2.38 -0.24 0.00 -2.04 0.00 0.00 64.05 59.43 1gwp n THR 119 Cb 0.25 -0.24 -0.07 0.00 -1.82 0.00 0.00 70.33 68.45 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 -2.93 2.63 -0.22 -1.42 4.02 0.28 -4.92 115.29 112.74 1gwp s HIS 120 Ca 0.33 -0.56 -0.03 0.00 1.02 0.00 0.00 55.06 55.82 1gwp s HIS 120 Cb 0.30 -1.98 0.00 0.00 -1.02 0.00 0.00 32.58 29.87 1gwp s HIS 120 CO 0.02 0.14 -0.07 -0.80 1.02 0.00 0.00 174.74 175.05 1gwp s ASN 121 N -3.94 4.12 0.79 1.40 -0.87 -1.26 0.31 114.94 115.49 1gwp s ASN 121 Ca 0.42 -0.50 -0.11 0.00 -1.57 0.00 0.00 52.86 51.10 1gwp s ASN 121 Cb 0.02 -1.69 0.07 0.00 -0.02 0.00 0.00 41.25 39.63 1gwp s ASN 121 CO 0.24 -0.03 1.09 -2.16 -2.57 0.00 0.00 177.10 173.67 1gwp s PRO 122 N 1.43 2.13 -0.21 -0.60 0.04 -1.26 -5.08 135.00 131.45 1gwp s PRO 122 Ca 0.05 0.66 -0.29 0.00 0.04 0.00 0.00 61.00 61.45 1gwp s PRO 122 Cb -0.14 -1.92 -0.01 0.00 0.04 0.00 0.00 34.50 32.46 1gwp s PRO 122 CO -0.05 -1.59 1.30 -1.25 0.04 0.00 0.00 177.00 175.45 1gwp s PRO 123 N -5.15 4.10 -0.27 0.56 0.04 0.15 -4.92 135.00 129.50 1gwp s PRO 123 Ca 0.61 1.53 -0.27 0.00 0.04 0.00 0.00 61.00 62.91 1gwp s PRO 123 Cb -0.14 -3.82 0.01 0.00 0.04 0.00 0.00 34.50 30.58 1gwp s PRO 123 CO 0.54 -0.89 0.95 0.42 0.04 0.00 0.00 177.00 178.07 1gwp s ILE 124 N 3.91 4.69 0.00 0.56 1.09 0.39 -4.90 121.20 126.94 1gwp s ILE 124 Ca 0.56 1.67 -0.02 0.00 -1.10 0.00 0.00 60.65 61.76 1gwp s ILE 124 Cb -0.20 -4.26 -0.08 0.00 -1.06 0.00 0.00 42.46 36.85 1gwp s ILE 124 CO 0.19 -0.26 2.04 -0.81 -0.10 0.00 0.00 174.94 176.00 1gwp n PRO 125 N 6.39 1.05 -0.39 2.79 -0.04 -1.26 -3.49 135.00 140.05 1gwp n PRO 125 Ca 0.09 -0.30 0.31 0.00 -0.04 0.00 0.00 63.50 63.56 1gwp n PRO 125 Cb 0.47 -1.42 0.61 0.00 -0.04 0.00 0.00 33.50 33.12 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 1.65 0.32 0.45 0.52 3.04 -1.91 0.36 116.25 120.68 1gwp h VAL 126 Ca 0.06 -0.07 -0.02 0.00 -1.01 0.00 0.00 66.70 65.66 1gwp h VAL 126 Cb 0.91 0.10 0.00 0.00 -2.01 0.00 0.00 31.29 30.29 1gwp h VAL 126 CO 0.12 0.04 -0.22 1.23 -1.01 0.00 0.00 177.57 177.73 1gwp h GLY 127 N 0.20 -0.63 0.42 3.17 0.00 -1.83 0.17 103.07 104.56 1gwp h GLY 127 Ca 0.70 0.23 0.15 0.00 0.00 0.00 0.00 47.33 48.41 1gwp h GLY 127 CO -0.31 -0.23 0.61 0.83 0.00 0.00 0.00 176.54 177.44 1gwp h GLU 128 N -0.68 0.79 0.67 4.80 5.08 -1.32 0.11 114.58 124.03 1gwp h GLU 128 Ca -0.06 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 1gwp h GLU 128 Cb 0.46 -0.18 0.01 0.00 0.50 0.00 0.00 28.75 29.54 1gwp h GLU 128 CO 0.10 0.52 -0.32 0.82 -1.00 0.00 0.00 179.01 179.13 1gwp h ILE 129 N 0.82 0.00 -0.92 3.13 2.04 -0.28 -0.84 117.51 121.46 1gwp h ILE 129 Ca 0.49 -0.02 0.21 0.00 1.00 0.00 0.00 64.86 66.54 1gwp h ILE 129 Cb 0.68 0.00 -0.12 0.00 -0.74 0.00 0.00 36.82 36.65 1gwp h ILE 129 CO -0.26 0.00 0.47 0.22 0.00 0.00 0.00 178.15 178.58 1gwp h TYR 130 N -0.92 0.80 -0.62 1.37 3.20 -0.12 0.38 116.97 121.05 1gwp h TYR 130 Ca -0.09 0.04 0.04 0.00 3.14 0.00 0.00 58.73 61.86 1gwp h TYR 130 Cb 0.69 -0.21 -0.05 0.00 1.54 0.00 0.00 36.73 38.71 1gwp h TYR 130 CO 0.07 0.05 0.35 -0.22 -1.64 0.00 0.00 178.16 176.77 1gwp h LYS 131 N 0.52 0.65 -0.20 1.82 3.64 -0.59 0.27 116.57 122.67 1gwp h LYS 131 Ca 0.56 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.80 1gwp h LYS 131 Cb 1.00 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.66 1gwp h LYS 131 CO -0.47 0.43 -0.31 -0.09 -2.27 0.00 0.00 179.45 176.74 1gwp h ARG 132 N 0.67 0.40 0.17 1.90 2.43 0.11 -1.18 114.38 118.88 1gwp h ARG 132 Ca 0.27 -0.17 -0.01 0.00 -0.81 0.00 0.00 59.98 59.26 1gwp h ARG 132 Cb 0.12 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 1gwp h ARG 132 CO -0.15 0.67 -0.08 -1.49 -1.51 0.00 0.00 179.97 177.42 1gwp h TRP 133 N 0.35 -0.21 -0.89 2.20 4.06 0.73 0.50 115.95 122.69 1gwp h TRP 133 Ca 0.05 -0.00 0.23 0.00 2.06 0.00 0.00 58.89 61.22 1gwp h TRP 133 Cb 0.72 0.07 -0.16 0.00 -1.00 0.00 0.00 29.16 28.80 1gwp h TRP 133 CO 0.02 -0.13 0.07 0.82 -3.56 0.00 0.00 178.44 175.66 1gwp h ILE 134 N -0.28 0.19 -0.81 1.49 2.04 -0.58 1.48 117.51 121.03 1gwp h ILE 134 Ca -0.02 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.79 1gwp h ILE 134 Cb 0.17 0.10 -0.04 0.00 -0.74 0.00 0.00 36.82 36.31 1gwp h ILE 134 CO 0.04 0.02 0.43 0.40 0.00 0.00 0.00 178.15 179.04 1gwp h ILE 135 N 0.09 1.24 -0.53 -0.67 1.08 -1.16 -0.10 117.51 117.46 1gwp h ILE 135 Ca 0.53 -0.63 0.09 0.00 -0.39 0.00 0.00 64.86 64.46 1gwp h ILE 135 Cb 1.04 0.17 -0.07 0.00 -3.07 0.00 0.00 36.82 34.89 1gwp h ILE 135 CO -0.78 0.28 0.14 0.25 -0.69 0.00 0.00 178.15 177.35 1gwp h LEU 136 N 1.14 0.08 0.12 1.44 6.46 0.71 0.53 115.31 125.78 1gwp h LEU 136 Ca 0.28 0.08 -0.01 0.00 -0.12 0.00 0.00 57.88 58.12 1gwp h LEU 136 Cb 0.05 0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 1gwp h LEU 136 CO -0.04 0.07 -0.06 1.23 -0.62 0.00 0.00 178.44 179.01 1gwp h GLY 137 N 0.29 -0.17 0.94 3.75 0.00 -0.49 -0.83 103.07 106.56 1gwp h GLY 137 Ca 0.27 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.79 1gwp h GLY 137 CO -0.31 -0.06 0.40 1.41 0.00 0.00 0.00 176.54 177.98 1gwp h LEU 138 N -0.44 0.20 -0.14 3.11 3.38 -0.49 0.42 115.31 121.35 1gwp h LEU 138 Ca -0.02 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1gwp h LEU 138 Cb 0.36 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.07 1gwp h LEU 138 CO 0.03 0.11 -0.19 -1.13 0.09 0.00 0.00 178.44 177.35 1gwp h ASN 139 N 0.21 0.41 -0.39 -0.43 -1.24 0.38 0.23 115.58 114.75 1gwp h ASN 139 Ca 0.28 -0.51 -0.05 0.00 0.71 0.00 0.00 56.30 56.74 1gwp h ASN 139 Cb 0.81 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.72 1gwp h ASN 139 CO -0.05 0.84 0.10 0.50 -1.29 0.00 0.00 177.43 177.53 1gwp h LYS 140 N -0.00 0.70 0.01 6.67 3.64 0.54 0.46 116.57 128.59 1gwp h LYS 140 Ca 0.02 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.26 1gwp h LYS 140 Cb 0.74 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1gwp h LYS 140 CO 0.04 0.65 -0.01 0.82 -2.27 0.00 0.00 179.45 178.68 1gwp h ILE 141 N 0.68 1.36 -0.20 2.00 2.04 -0.15 -2.11 117.51 121.14 1gwp h ILE 141 Ca 0.15 -1.14 -0.02 0.00 1.00 0.00 0.00 64.86 64.85 1gwp h ILE 141 Cb 0.27 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 1gwp h ILE 141 CO -0.00 0.29 0.05 0.58 0.00 0.00 0.00 178.15 179.07 1gwp h VAL 142 N -0.51 1.10 -0.18 1.67 2.07 -0.27 -1.26 116.25 118.87 1gwp h VAL 142 Ca -0.00 -0.35 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 1gwp h VAL 142 Cb 0.50 0.90 -0.01 0.00 -1.52 0.00 0.00 31.29 31.16 1gwp h VAL 142 CO 0.00 0.12 0.07 0.03 0.02 0.00 0.00 177.57 177.82 1gwp h ARG 143 N 0.27 0.26 -0.34 1.57 2.47 0.07 -1.71 114.38 116.97 1gwp h ARG 143 Ca 0.07 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 1gwp h ARG 143 Cb 0.11 -0.04 -0.02 0.00 -1.65 0.00 0.00 29.97 28.37 1gwp h ARG 143 CO -0.00 0.32 0.15 1.98 0.56 0.00 0.00 179.97 182.98 1gwp h MET 144 N 0.14 0.51 -0.28 0.04 4.05 -0.74 -3.01 114.93 115.63 1gwp h MET 144 Ca 0.06 -0.09 0.06 0.00 -0.28 0.00 0.00 59.70 59.46 1gwp h MET 144 Cb 0.16 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.81 1gwp h MET 144 CO -0.01 0.49 -0.12 1.88 0.23 0.00 0.00 176.91 179.38 1gwp h TYR 145 N 0.41 -0.29 -6.73 1.39 -1.99 -1.12 -3.46 116.97 105.17 1gwp h TYR 145 Ca 0.12 0.03 -0.49 0.00 2.00 0.00 0.00 58.73 60.39 1gwp h TYR 145 Cb 0.16 0.17 -0.00 0.00 2.00 0.00 0.00 36.73 39.06 1gwp h TYR 145 CO -0.01 -0.19 -1.08 0.45 -0.00 0.00 0.00 178.16 177.33 1gwp n SER 146 N -5.30 -4.61 -3.87 3.88 2.88 -0.65 -4.92 113.62 101.03 1gwp n SER 146 Ca -0.00 -0.97 -0.30 0.00 -1.33 0.00 0.00 58.87 56.27 1gwp n SER 146 Cb 0.21 -1.54 0.22 0.00 -0.75 0.00 0.00 64.21 62.35 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 -4.98 -0.46 0.04 -1.46 0.04 -1.26 -5.10 135.00 121.82 1gwp s PRO 147 Ca 0.02 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.75 1gwp s PRO 147 Cb -0.01 -1.71 -0.03 0.00 0.04 0.00 0.00 34.50 32.79 1gwp s PRO 147 CO 0.87 -3.16 -0.04 0.99 0.04 0.00 0.00 177.00 175.70 1gwp s THR 148 N -3.48 0.26 -0.32 1.26 2.01 -1.26 -5.09 115.64 109.02 1gwp s THR 148 Ca 0.74 -1.25 -0.40 0.00 0.31 0.00 0.00 61.69 61.09 1gwp s THR 148 Cb -0.06 -0.75 -0.16 0.00 0.01 0.00 0.00 72.50 71.55 1gwp s THR 148 CO 0.55 -0.63 1.81 -1.20 -0.69 0.00 0.00 174.62 174.45 1gwp n SER 149 N 1.07 2.20 -3.86 3.53 7.64 -1.26 -4.93 113.62 118.02 1gwp n SER 149 Ca -0.20 0.99 -0.12 0.00 1.01 0.00 0.00 58.87 60.54 1gwp n SER 149 Cb 0.57 -1.12 -0.14 0.00 -1.01 0.00 0.00 64.21 62.51 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 4.08 0.00 0.00 0.44 1.01 -1.26 -5.36 121.20 120.12 1gwp s ILE 150 Ca 1.01 -0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.65 1gwp s ILE 150 Cb -1.10 -0.06 0.00 0.00 0.01 0.00 0.00 42.46 41.31 1gwp s ILE 150 CO 0.65 -0.01 0.00 -0.11 0.00 0.00 0.00 174.94 175.47