#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gwp s LEU 2 N 0.00 2.37 0.32 0.99 1.43 -1.26 -5.15 118.68 117.38 3gwp s LEU 2 Ca 0.00 -0.78 0.00 0.00 -1.03 0.00 0.00 54.13 52.32 3gwp s LEU 2 Cb 0.00 -0.92 0.53 0.00 0.03 0.00 0.00 46.19 45.83 3gwp s LEU 2 CO 0.00 0.04 1.97 1.05 0.23 0.00 0.00 176.35 179.64 3gwp h GLU 3 N 3.64 0.94 -0.36 1.70 -0.00 -2.05 -1.78 114.58 116.67 3gwp h GLU 3 Ca -0.45 -0.07 -0.05 0.00 -0.00 0.00 0.00 59.36 58.79 3gwp h GLU 3 Cb 1.19 -0.20 -0.02 0.00 -0.00 0.00 0.00 28.75 29.72 3gwp h GLU 3 CO 0.45 0.64 0.02 0.66 -0.00 0.00 0.00 179.01 180.78 3gwp h SER 4 N 0.96 0.52 0.20 3.06 4.64 -2.02 -2.00 113.55 118.90 3gwp h SER 4 Ca 0.25 -0.09 -0.01 0.00 -0.47 0.00 0.00 61.79 61.47 3gwp h SER 4 Cb -0.06 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 61.89 3gwp h SER 4 CO -0.05 0.57 -0.09 0.74 -0.87 0.00 0.00 176.83 177.13 3gwp h THR 5 N 0.53 0.90 0.00 2.95 2.02 -1.77 -1.08 112.91 116.47 3gwp h THR 5 Ca 0.12 -0.73 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 3gwp h THR 5 Cb 0.31 1.32 -0.01 0.00 -1.74 0.00 0.00 68.15 68.04 3gwp h THR 5 CO 0.01 0.16 -0.17 0.07 0.37 0.00 0.00 175.52 175.96 3gwp h LYS 6 N -0.64 0.00 -0.07 6.66 2.10 -1.48 0.13 116.57 123.27 3gwp h LYS 6 Ca -0.03 0.00 -0.20 0.00 -2.00 0.00 0.00 60.65 58.43 3gwp h LYS 6 Cb 0.46 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.79 3gwp h LYS 6 CO 0.04 0.17 -0.78 0.37 -2.00 0.00 0.00 179.45 177.25 3gwp h GLN 7 N 0.00 0.43 -0.16 0.07 5.75 -1.32 -2.71 115.11 117.17 3gwp h GLN 7 Ca -0.00 -0.37 -0.04 0.00 -0.15 0.00 0.00 58.65 58.09 3gwp h GLN 7 Cb 0.42 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3gwp h GLN 7 CO 0.02 1.02 -0.04 0.35 -2.65 0.00 0.00 178.83 177.54 3gwp h PHE 8 N 0.28 0.35 -0.07 3.99 3.04 -0.18 -3.06 116.94 121.29 3gwp h PHE 8 Ca -0.04 -0.07 0.02 0.00 3.98 0.00 0.00 57.97 61.86 3gwp h PHE 8 Cb 1.37 -0.09 -0.00 0.00 2.56 0.00 0.00 35.95 39.79 3gwp h PHE 8 CO 0.05 0.58 0.09 -0.07 -2.02 0.00 0.00 178.31 176.93 3gwp h LEU 9 N 0.02 0.00 -1.94 0.59 3.38 -0.76 -1.91 115.31 114.69 3gwp h LEU 9 Ca 0.04 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3gwp h LEU 9 Cb 0.46 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3gwp h LEU 9 CO 0.02 0.00 0.23 0.11 0.09 0.00 0.00 178.44 178.89 3gwp h LYS 10 N 0.00 0.06 -0.01 1.13 1.79 -1.37 -0.40 116.57 117.78 3gwp h LYS 10 Ca 0.04 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.51 3gwp h LYS 10 Cb 0.21 -0.01 -0.00 0.00 -1.58 0.00 0.00 32.23 30.84 3gwp h LYS 10 CO -0.00 0.04 0.01 1.57 -1.08 0.00 0.00 179.45 179.99 3gwp h LYS 11 N 0.07 0.00 -0.80 3.15 -0.00 -1.50 -1.11 116.57 116.37 3gwp h LYS 11 Ca 0.15 0.00 -0.14 0.00 -0.00 0.00 0.00 60.65 60.67 3gwp h LYS 11 Cb 0.53 0.00 -0.08 0.00 -0.00 0.00 0.00 32.23 32.68 3gwp h LYS 11 CO -0.01 0.00 0.17 0.66 -0.00 0.00 0.00 179.45 180.27 3gwp n TYR 12 N -4.42 1.80 -2.05 0.07 4.02 -0.17 -4.92 117.16 111.50 3gwp n TYR 12 Ca -0.03 -0.88 -0.20 0.00 -0.01 0.00 0.00 57.90 56.78 3gwp n TYR 12 Cb 0.10 -0.54 -0.04 0.00 -0.02 0.00 0.00 39.34 38.84 3gwp n TYR 12 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 3gwp n ASN 13 N 0.04 -5.66 -4.62 7.72 5.15 -0.42 -4.92 115.26 112.54 3gwp n ASN 13 Ca 0.29 0.21 -0.43 0.00 -0.60 0.00 0.00 54.58 54.05 3gwp n ASN 13 Cb 1.10 -4.80 -0.02 0.00 -0.53 0.00 0.00 39.78 35.53 3gwp n ASN 13 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gwp s ILE 14 N -2.91 4.41 0.70 -1.44 1.01 -1.17 -4.85 121.20 116.95 3gwp s ILE 14 Ca 0.00 1.55 -0.03 0.00 0.00 0.00 0.00 60.65 62.17 3gwp s ILE 14 Cb 0.00 -4.48 0.10 0.00 0.01 0.00 0.00 42.46 38.09 3gwp s ILE 14 CO 0.00 -0.66 0.98 0.54 0.00 0.00 0.00 174.94 175.79 3gwp s ASN 15 N 1.94 4.52 0.26 3.58 2.20 -1.26 -4.44 114.94 121.74 3gwp s ASN 15 Ca 0.46 -0.09 0.26 0.00 -0.94 0.00 0.00 52.86 52.55 3gwp s ASN 15 Cb -0.10 -0.42 0.85 0.00 -2.00 0.00 0.00 41.25 39.57 3gwp s ASN 15 CO 0.21 -1.73 1.76 0.44 -2.94 0.00 0.00 177.10 174.83 3gwp h ASP 16 N -0.51 0.00 0.34 3.54 3.32 -1.97 -2.31 116.42 118.83 3gwp h ASP 16 Ca -0.40 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.64 3gwp h ASP 16 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 3gwp h ASP 16 CO 0.46 0.00 -0.16 0.03 -1.72 0.00 0.00 179.24 177.85 3gwp h ARG 17 N 0.00 -0.44 -0.62 3.56 2.47 -1.95 0.06 114.38 117.46 3gwp h ARG 17 Ca 0.00 0.03 -0.08 0.00 -1.26 0.00 0.00 59.98 58.67 3gwp h ARG 17 Cb 0.64 0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 29.03 3gwp h ARG 17 CO 0.00 -0.15 0.07 0.28 0.56 0.00 0.00 179.97 180.73 3gwp h VAL 18 N -0.72 1.26 -0.52 2.04 2.07 -1.94 -1.27 116.25 117.18 3gwp h VAL 18 Ca -0.05 -1.05 -0.10 0.00 0.82 0.00 0.00 66.70 66.33 3gwp h VAL 18 Cb 0.49 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.98 3gwp h VAL 18 CO 0.08 0.39 -0.05 0.25 0.02 0.00 0.00 177.57 178.25 3gwp h LEU 19 N 0.94 0.94 -0.71 2.57 5.85 -1.42 0.20 115.31 123.69 3gwp h LEU 19 Ca 0.18 -0.33 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 3gwp h LEU 19 Cb 0.47 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 3gwp h LEU 19 CO 0.02 1.05 -0.40 0.11 -0.34 0.00 0.00 178.44 178.88 3gwp h LYS 20 N 0.82 0.53 -0.44 1.25 6.56 -0.92 -2.38 116.57 121.99 3gwp h LYS 20 Ca 0.14 -0.26 -0.10 0.00 -1.06 0.00 0.00 60.65 59.37 3gwp h LYS 20 Cb 0.60 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.24 3gwp h LYS 20 CO 0.04 0.84 -0.14 1.25 -2.06 0.00 0.00 179.45 179.38 3gwp h LEU 21 N 0.44 0.80 -0.17 2.94 5.85 -0.91 -3.09 115.31 121.16 3gwp h LEU 21 Ca 0.04 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 3gwp h LEU 21 Cb 0.89 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 3gwp h LEU 21 CO 0.08 0.95 0.07 0.22 -0.34 0.00 0.00 178.44 179.42 3gwp h TYR 22 N 0.72 0.26 -0.67 1.25 3.20 -0.38 -2.04 116.97 119.31 3gwp h TYR 22 Ca 0.12 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.07 3gwp h TYR 22 Cb 0.64 -0.08 -0.08 0.00 1.54 0.00 0.00 36.73 38.75 3gwp h TYR 22 CO 0.03 0.32 0.27 0.93 -1.64 0.00 0.00 178.16 178.08 3gwp h GLU 23 N 0.13 0.44 -0.07 1.82 4.39 -1.39 -1.96 114.58 117.95 3gwp h GLU 23 Ca 0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.73 3gwp h GLU 23 Cb 0.17 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.72 3gwp h GLU 23 CO -0.00 0.29 0.02 1.15 -1.16 0.00 0.00 179.01 179.31 3gwp h THR 24 N 0.46 1.17 0.00 1.13 2.02 -1.50 -2.03 112.91 114.16 3gwp h THR 24 Ca 0.35 -0.52 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3gwp h THR 24 Cb 0.45 1.39 0.00 0.00 -1.74 0.00 0.00 68.15 68.25 3gwp h THR 24 CO -0.33 0.14 0.00 0.00 0.37 0.00 0.00 175.52 175.71 3gwp n ALA 25 N -2.22 1.18 0.00 6.16 0.00 -0.74 -1.84 120.51 123.06 3gwp n ALA 25 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 3gwp n ALA 25 Cb 0.13 -0.96 0.00 0.00 0.00 0.00 0.00 19.45 18.62 3gwp n ALA 25 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3gwp n ASN 27 N 0.71 0.00 -0.19 0.00 2.85 -0.77 -3.04 115.26 114.82 3gwp n ASN 27 Ca 0.00 0.00 -0.09 0.00 -0.11 0.00 0.00 54.58 54.38 3gwp n ASN 27 Cb 0.00 0.00 0.03 0.00 1.24 0.00 0.00 39.78 41.05 3gwp n ASN 27 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 3gwp h ASP 28 N 0.00 1.02 -0.15 1.20 3.32 -1.64 -3.23 116.42 116.94 3gwp h ASP 28 Ca 0.00 -0.32 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3gwp h ASP 28 Cb 0.00 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.27 3gwp h ASP 28 CO 0.00 1.11 0.00 2.30 -1.72 0.00 0.00 179.24 180.93 3gwp n ILE 29 N -4.16 0.19 -0.32 0.35 -5.35 -1.17 -4.40 119.36 104.50 3gwp n ILE 29 Ca 0.02 -0.26 -0.04 0.00 -0.27 0.00 0.00 62.75 62.20 3gwp n ILE 29 Cb 0.38 0.16 0.08 0.00 -1.74 0.00 0.00 39.64 38.52 3gwp n ILE 29 CO 0.00 0.00 0.00 1.56 -1.76 0.00 0.00 176.55 176.35 3gwp h GLN 30 N 1.48 1.17 -0.45 6.28 1.08 -1.87 -2.03 115.11 120.76 3gwp h GLN 30 Ca 0.00 -0.11 -0.06 0.00 -1.45 0.00 0.00 58.65 57.03 3gwp h GLN 30 Cb 0.33 -0.24 -0.02 0.00 -0.05 0.00 0.00 27.48 27.49 3gwp h GLN 30 CO 0.00 0.82 0.03 -0.91 -0.95 0.00 0.00 178.83 177.82 3gwp h ASN 31 N 1.18 0.69 -0.16 1.46 2.35 -1.86 -2.29 115.58 116.94 3gwp h ASN 31 Ca 0.31 -0.15 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 3gwp h ASN 31 Cb -0.04 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.14 3gwp h ASN 31 CO -0.06 0.74 -0.38 -0.61 -1.65 0.00 0.00 177.43 175.47 3gwp h GLN 32 N 0.69 0.69 -0.35 0.81 5.75 -1.77 -2.87 115.11 118.06 3gwp h GLN 32 Ca 0.14 -0.35 -0.04 0.00 -0.15 0.00 0.00 58.65 58.25 3gwp h GLN 32 Cb 0.38 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.92 3gwp h GLN 32 CO 0.01 0.96 0.04 0.74 -2.65 0.00 0.00 178.83 177.93 3gwp h PHE 33 N 0.57 0.53 -0.17 3.99 -1.00 -1.10 -2.81 116.94 116.95 3gwp h PHE 33 Ca 0.05 -0.04 -0.12 0.00 2.81 0.00 0.00 57.97 60.67 3gwp h PHE 33 Cb 0.91 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.30 3gwp h PHE 33 CO 0.04 0.50 -0.39 -0.22 -1.61 0.00 0.00 178.31 176.63 3gwp h LYS 34 N 0.51 0.37 -0.59 1.51 3.64 -1.21 -2.03 116.57 118.77 3gwp h LYS 34 Ca 0.11 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.21 3gwp h LYS 34 Cb 0.27 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3gwp h LYS 34 CO 0.00 0.71 -0.03 0.82 -2.27 0.00 0.00 179.45 178.68 3gwp h ILE 35 N 0.31 1.27 -0.46 2.00 2.04 -1.35 -2.97 117.51 118.35 3gwp h ILE 35 Ca 0.03 -1.19 -0.09 0.00 1.00 0.00 0.00 64.86 64.60 3gwp h ILE 35 Cb 0.84 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 3gwp h ILE 35 CO 0.07 0.43 -0.09 -0.07 0.00 0.00 0.00 178.15 178.49 3gwp h LEU 36 N 0.97 0.81 -0.87 1.44 4.07 -1.32 -2.94 115.31 117.47 3gwp h LEU 36 Ca 0.16 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.89 3gwp h LEU 36 Cb 0.60 -0.22 -0.04 0.00 1.08 0.00 0.00 40.66 42.08 3gwp h LEU 36 CO 0.04 0.93 0.56 0.44 -1.08 0.00 0.00 178.44 179.32 3gwp h ASP 37 N 0.75 1.01 1.74 -0.43 3.32 -1.21 0.41 116.42 122.00 3gwp h ASP 37 Ca 0.13 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 57.13 3gwp h ASP 37 Cb 0.58 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.87 3gwp h ASP 37 CO 0.04 0.74 -0.26 -2.24 -1.72 0.00 0.00 179.24 175.80 3gwp h ASP 38 N 1.18 0.00 0.04 6.45 3.04 -1.56 -1.65 116.42 123.91 3gwp h ASP 38 Ca 0.32 0.00 -0.23 0.00 -3.24 0.00 0.00 57.03 53.88 3gwp h ASP 38 Cb -0.11 0.00 0.01 0.00 -1.04 0.00 0.00 39.33 38.19 3gwp h ASP 38 CO -0.07 0.05 -0.85 0.40 -2.04 0.00 0.00 179.24 176.74 3gwp h ILE 39 N 0.00 1.31 -0.43 4.15 2.04 -1.30 -3.12 117.51 120.17 3gwp h ILE 39 Ca -0.00 -2.13 -0.10 0.00 1.00 0.00 0.00 64.86 63.63 3gwp h ILE 39 Cb 1.04 2.15 -0.02 0.00 -0.74 0.00 0.00 36.82 39.26 3gwp h ILE 39 CO 0.01 0.66 -0.13 -0.09 0.00 0.00 0.00 178.15 178.59 3gwp h ARG 40 N 0.41 0.78 -0.77 2.37 2.43 -0.90 -2.88 114.38 115.83 3gwp h ARG 40 Ca -0.07 -0.27 0.05 0.00 -0.81 0.00 0.00 59.98 58.88 3gwp h ARG 40 Cb 1.47 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.91 3gwp h ARG 40 CO 0.16 0.87 0.47 1.49 -1.51 0.00 0.00 179.97 181.46 3gwp h GLU 41 N 0.70 0.86 -0.15 0.20 4.81 -1.27 -0.73 114.58 119.01 3gwp h GLU 41 Ca 0.11 -0.05 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 3gwp h GLU 41 Cb 0.62 -0.19 -0.00 0.00 0.63 0.00 0.00 28.75 29.80 3gwp h GLU 41 CO 0.04 0.57 -0.14 0.35 -0.73 0.00 0.00 179.01 179.10 3gwp h PHE 42 N 0.89 0.42 -0.67 0.92 3.57 -1.51 -2.96 116.94 117.60 3gwp h PHE 42 Ca 0.33 -0.12 -0.02 0.00 3.53 0.00 0.00 57.97 61.68 3gwp h PHE 42 Cb 0.11 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 38.73 3gwp h PHE 42 CO -0.04 0.74 0.34 -0.91 -2.23 0.00 0.00 178.31 176.20 3gwp h ASN 43 N -0.01 0.84 -0.59 0.41 2.35 -1.28 0.31 115.58 117.61 3gwp h ASN 43 Ca 0.02 -0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.62 3gwp h ASN 43 Cb 0.66 -0.21 -0.03 0.00 0.05 0.00 0.00 38.32 38.79 3gwp h ASN 43 CO 0.03 0.70 0.08 -0.61 -1.65 0.00 0.00 177.43 175.98 3gwp h GLN 44 N 0.94 1.02 -0.27 0.81 5.75 -1.19 -0.93 115.11 121.24 3gwp h GLN 44 Ca 0.23 -0.27 -0.15 0.00 -0.15 0.00 0.00 58.65 58.31 3gwp h GLN 44 Cb 0.06 -0.12 -0.01 0.00 1.07 0.00 0.00 27.48 28.49 3gwp h GLN 44 CO -0.03 0.95 -0.46 1.25 -2.65 0.00 0.00 178.83 177.88 3gwp h LEU 45 N 0.95 0.76 -0.44 -2.39 5.85 -1.20 -1.74 115.31 117.09 3gwp h LEU 45 Ca 0.19 -0.37 -0.02 0.00 0.84 0.00 0.00 57.88 58.52 3gwp h LEU 45 Cb 0.44 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 3gwp h LEU 45 CO 0.01 1.10 0.21 0.50 -0.34 0.00 0.00 178.44 179.92 3gwp h LYS 46 N 0.56 0.64 -0.26 1.25 3.64 -0.10 -1.24 116.57 121.06 3gwp h LYS 46 Ca 0.03 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.24 3gwp h LYS 46 Cb 1.01 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.71 3gwp h LYS 46 CO 0.10 0.55 -0.14 0.28 -2.27 0.00 0.00 179.45 177.97 3gwp h VAL 47 N 0.57 1.30 -0.50 2.00 2.07 -1.17 -2.64 116.25 117.88 3gwp h VAL 47 Ca 0.15 -1.23 0.06 0.00 0.82 0.00 0.00 66.70 66.50 3gwp h VAL 47 Cb 0.13 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 3gwp h VAL 47 CO -0.02 0.39 0.21 0.25 0.02 0.00 0.00 177.57 178.41 3gwp h LEU 48 N 0.28 0.25 -1.14 2.57 5.85 -1.20 -1.95 115.31 119.97 3gwp h LEU 48 Ca 0.06 0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.80 3gwp h LEU 48 Cb 0.65 0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.66 3gwp h LEU 48 CO 0.04 0.17 0.27 -1.13 -0.34 0.00 0.00 178.44 177.46 3gwp h ASN 49 N 0.40 0.79 -0.87 1.25 -0.73 -1.20 -2.29 115.58 112.93 3gwp h ASN 49 Ca 0.23 -0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.31 3gwp h ASN 49 Cb 0.21 -0.20 -0.04 0.00 0.27 0.00 0.00 38.32 38.55 3gwp h ASN 49 CO -0.21 0.69 0.55 0.00 -0.37 0.00 0.00 177.43 178.09 3gwp h ALA 50 N 1.43 1.11 -0.09 1.57 0.00 -0.99 -0.90 119.26 121.39 3gwp h ALA 50 Ca 0.21 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 3gwp h ALA 50 Cb 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 3gwp h ALA 50 CO -0.02 0.54 -0.01 0.74 0.00 0.00 0.00 179.25 180.50 3gwp h PHE 51 N 1.19 0.18 -0.33 0.00 -1.00 -1.14 -3.01 116.94 112.84 3gwp h PHE 51 Ca 0.32 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.05 3gwp h PHE 51 Cb -0.09 -0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.41 3gwp h PHE 51 CO -0.00 0.45 0.15 1.96 -1.61 0.00 0.00 178.31 179.25 3gwp h GLN 52 N -0.13 0.48 -0.26 1.51 4.20 -1.27 -2.00 115.11 117.65 3gwp h GLN 52 Ca 0.03 -0.07 -0.02 0.00 0.06 0.00 0.00 58.65 58.64 3gwp h GLN 52 Cb 0.38 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.06 3gwp h GLN 52 CO 0.01 0.45 0.06 0.93 -0.67 0.00 0.00 178.83 179.61 3gwp h GLU 53 N 0.39 0.37 -0.06 1.46 4.39 -1.26 -1.65 114.58 118.22 3gwp h GLU 53 Ca 0.11 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3gwp h GLU 53 Cb 0.13 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.71 3gwp h GLU 53 CO -0.01 0.34 0.00 0.39 -1.16 0.00 0.00 179.01 178.57 3gwp n GLU 54 N -4.39 1.46 -3.79 2.33 -0.58 -1.05 -4.96 120.64 109.66 3gwp n GLU 54 Ca 0.01 -0.68 -0.23 0.00 -0.42 0.00 0.00 57.16 55.83 3gwp n GLU 54 Cb 0.16 -1.43 0.01 0.00 -0.57 0.00 0.00 31.44 29.61 3gwp n GLU 54 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3gwp n ARG 55 N -0.14 -4.21 -2.23 3.49 1.74 -0.62 -4.93 116.66 109.77 3gwp n ARG 55 Ca 0.18 0.54 -0.41 0.00 -0.77 0.00 0.00 57.85 57.40 3gwp n ARG 55 Cb 0.26 -4.92 -0.03 0.00 -1.02 0.00 0.00 32.46 26.75 3gwp n ARG 55 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3gwp s ILE 56 N -3.77 3.00 0.30 0.55 -1.09 -1.03 -5.01 121.20 114.16 3gwp s ILE 56 Ca 0.02 0.97 0.04 0.00 -2.23 0.00 0.00 60.65 59.45 3gwp s ILE 56 Cb -0.01 -3.62 -0.03 0.00 -1.58 0.00 0.00 42.46 37.23 3gwp s ILE 56 CO 0.84 0.22 0.27 -0.94 -1.23 0.00 0.00 174.94 174.10 3gwp s SER 57 N -0.44 1.28 0.46 3.58 1.04 -1.26 -4.98 113.70 113.38 3gwp s SER 57 Ca 0.49 -1.65 0.12 0.00 0.48 0.00 0.00 55.95 55.39 3gwp s SER 57 Cb -0.37 0.53 1.05 0.00 0.10 0.00 0.00 66.02 67.33 3gwp s SER 57 CO 0.47 -1.04 2.08 1.05 0.98 0.00 0.00 173.24 176.78 3gwp h GLU 58 N 2.23 0.23 -0.09 4.02 9.09 -2.02 -2.40 114.58 125.65 3gwp h GLU 58 Ca -0.27 -0.02 0.03 0.00 0.05 0.00 0.00 59.36 59.14 3gwp h GLU 58 Cb 1.24 -0.05 -0.00 0.00 -1.65 0.00 0.00 28.75 28.28 3gwp h GLU 58 CO 0.40 0.18 0.08 0.00 0.05 0.00 0.00 179.01 179.72 3gwp h ALA 59 N 1.86 1.89 0.00 1.06 0.00 -1.98 -1.96 119.26 120.12 3gwp h ALA 59 Ca 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3gwp h ALA 59 Cb 0.03 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3gwp h ALA 59 CO -0.01 -0.13 0.00 0.45 0.00 0.00 0.00 179.25 179.56 3gwp h HIS 60 N 0.00 0.00 -0.58 0.00 -0.00 -1.82 -3.01 115.15 109.74 3gwp h HIS 60 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 3gwp h HIS 60 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 3gwp h HIS 60 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 177.93 179.12 3gwp n PHE 61 N -2.45 1.55 -1.35 2.45 3.72 -0.74 -4.01 117.46 116.63 3gwp n PHE 61 Ca 0.02 -0.59 -0.30 0.00 -0.05 0.00 0.00 57.45 56.53 3gwp n PHE 61 Cb 0.24 -0.31 0.21 0.00 -0.94 0.00 0.00 39.48 38.68 3gwp n PHE 61 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 3gwp s THR 62 N -2.07 1.79 0.40 4.37 -1.32 -1.14 -4.90 115.64 112.77 3gwp s THR 62 Ca 0.48 0.00 -0.25 0.00 -1.21 0.00 0.00 61.69 60.71 3gwp s THR 62 Cb 0.33 -2.64 -0.11 0.00 -1.51 0.00 0.00 72.50 68.56 3gwp s THR 62 CO 0.20 0.00 0.99 -3.20 -2.21 0.00 0.00 174.62 170.40 3gwp n ASN 63 N -4.33 1.17 -3.52 8.08 5.15 -1.26 -4.92 115.26 115.63 3gwp n ASN 63 Ca 0.12 1.05 -0.22 0.00 -0.60 0.00 0.00 54.58 54.93 3gwp n ASN 63 Cb 0.59 -1.33 -0.14 0.00 -0.53 0.00 0.00 39.78 38.37 3gwp n ASN 63 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 3gwp s SER 64 N -0.71 2.17 0.41 1.20 0.15 -1.26 -5.07 113.70 110.59 3gwp s SER 64 Ca 0.62 -0.66 0.03 0.00 0.70 0.00 0.00 55.95 56.65 3gwp s SER 64 Cb -0.58 0.08 -0.03 0.00 -1.71 0.00 0.00 66.02 63.77 3gwp s SER 64 CO 0.58 -0.37 0.09 -0.94 1.20 0.00 0.00 173.24 173.79 3gwp s SER 65 N 2.23 2.96 0.92 5.45 1.04 -1.26 -4.03 113.70 121.02 3gwp s SER 65 Ca 0.07 -1.59 0.00 0.00 0.48 0.00 0.00 55.95 54.91 3gwp s SER 65 Cb -0.16 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.30 3gwp s SER 65 CO -0.21 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 173.80 3gwp n GLY 66 N -0.92 2.76 0.22 7.32 0.00 -1.26 -2.38 105.19 110.93 3gwp n GLY 66 Ca -0.07 -0.20 -0.08 0.00 0.00 0.00 0.00 46.02 45.67 3gwp n GLY 66 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 3gwp h TYR 67 N 0.00 0.70 -1.42 1.61 0.05 -1.98 -3.35 116.97 112.57 3gwp h TYR 67 Ca 0.00 -0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.76 3gwp h TYR 67 Cb 0.00 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 37.52 3gwp h TYR 67 CO 0.00 0.52 0.00 0.41 -1.05 0.00 0.00 178.16 178.04 3gwp n GLY 68 N -1.00 0.72 3.72 3.88 0.00 -1.00 0.45 105.19 111.95 3gwp n GLY 68 Ca 0.02 -0.57 -0.42 0.00 0.00 0.00 0.00 46.02 45.06 3gwp n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gwp s TYR 69 N -2.95 3.38 -1.36 1.61 2.02 -1.26 -3.31 117.35 115.47 3gwp s TYR 69 Ca 0.00 1.24 -0.04 0.00 -0.37 0.00 0.00 57.07 57.91 3gwp s TYR 69 Cb 0.00 -3.50 0.00 0.00 -0.40 0.00 0.00 41.96 38.07 3gwp s TYR 69 CO 0.00 -1.56 0.47 0.41 -1.57 0.00 0.00 175.55 173.30 3gwp n GLY 70 N 2.97 -0.35 3.58 0.71 0.00 -1.26 -4.91 105.19 105.92 3gwp n GLY 70 Ca 0.08 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3gwp n GLY 70 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gwp s ASP 71 N -2.69 5.80 0.29 1.61 2.15 -1.21 -4.86 116.67 117.76 3gwp s ASP 71 Ca 0.23 0.84 -0.01 0.00 0.43 0.00 0.00 52.55 54.05 3gwp s ASP 71 Cb -0.10 -2.53 0.43 0.00 -0.30 0.00 0.00 42.92 40.41 3gwp s ASP 71 CO 0.29 -1.86 1.85 0.16 -0.17 0.00 0.00 175.17 175.44 3gwp h ILE 72 N 6.73 1.22 -0.57 4.11 3.07 -1.93 -2.06 117.51 128.08 3gwp h ILE 72 Ca -0.30 -0.74 -0.03 0.00 1.55 0.00 0.00 64.86 65.34 3gwp h ILE 72 Cb 1.15 0.60 -0.03 0.00 -0.27 0.00 0.00 36.82 38.27 3gwp h ILE 72 CO 1.11 0.28 0.24 1.23 -1.05 0.00 0.00 178.15 179.96 3gwp h GLY 73 N 0.96 0.92 0.51 0.16 0.00 -1.90 -1.21 103.07 102.52 3gwp h GLY 73 Ca 0.19 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 3gwp h GLY 73 CO -0.01 0.47 -0.07 -0.09 0.00 0.00 0.00 176.54 176.83 3gwp h ARG 74 N 0.79 -0.20 -0.81 4.80 2.43 -1.83 -2.75 114.38 116.81 3gwp h ARG 74 Ca 0.19 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.36 3gwp h ARG 74 Cb 0.19 0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 29.75 3gwp h ARG 74 CO -0.02 0.22 0.44 -0.44 -1.51 0.00 0.00 179.97 178.65 3gwp h ASP 75 N -0.70 1.02 0.12 -3.80 3.32 -1.38 -2.35 116.42 112.65 3gwp h ASP 75 Ca -0.02 -0.10 -0.11 0.00 0.02 0.00 0.00 57.03 56.81 3gwp h ASP 75 Cb 0.50 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 3gwp h ASP 75 CO 0.03 0.83 -0.38 0.28 -1.72 0.00 0.00 179.24 178.28 3gwp h SER 76 N 1.13 0.36 -0.48 6.45 0.02 -1.33 -1.82 113.55 117.89 3gwp h SER 76 Ca 0.28 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 61.02 3gwp h SER 76 Cb 0.04 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.46 3gwp h SER 76 CO -0.04 0.72 0.08 0.25 -1.14 0.00 0.00 176.83 176.69 3gwp h LEU 77 N 0.30 0.81 -0.55 5.07 5.85 -1.15 0.22 115.31 125.86 3gwp h LEU 77 Ca 0.03 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3gwp h LEU 77 Cb 0.81 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.61 3gwp h LEU 77 CO 0.06 0.83 0.04 0.44 -0.34 0.00 0.00 178.44 179.47 3gwp h ASP 78 N 0.81 0.92 -0.65 1.25 5.19 -1.21 -1.96 116.42 120.77 3gwp h ASP 78 Ca 0.17 -0.29 -0.07 0.00 -0.62 0.00 0.00 57.03 56.23 3gwp h ASP 78 Cb 0.37 -0.25 -0.03 0.00 0.18 0.00 0.00 39.33 39.61 3gwp h ASP 78 CO 0.01 0.98 0.16 0.00 -3.12 0.00 0.00 179.24 177.26 3gwp h ALA 79 N 0.97 1.01 -0.43 3.45 0.00 -0.71 -1.03 119.26 122.52 3gwp h ALA 79 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 3gwp h ALA 79 Cb 0.48 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3gwp h ALA 79 CO 0.02 0.64 -0.01 0.28 0.00 0.00 0.00 179.25 180.18 3gwp h VAL 80 N 1.01 1.26 -0.46 0.00 2.07 -0.46 -2.30 116.25 117.37 3gwp h VAL 80 Ca 0.21 -1.05 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 3gwp h VAL 80 Cb 0.36 1.09 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 3gwp h VAL 80 CO 0.00 0.36 0.26 1.88 0.02 0.00 0.00 177.57 180.09 3gwp h TYR 81 N 0.61 0.62 -0.97 1.57 -1.99 -1.21 -1.45 116.97 114.15 3gwp h TYR 81 Ca 0.12 -0.01 0.07 0.00 2.00 0.00 0.00 58.73 60.91 3gwp h TYR 81 Cb 0.50 -0.20 -0.07 0.00 2.00 0.00 0.00 36.73 38.97 3gwp h TYR 81 CO 0.04 0.46 0.63 0.00 -0.00 0.00 0.00 178.16 179.28 3gwp h ALA 82 N 1.11 1.46 -0.25 3.88 0.00 -1.08 -0.28 119.26 124.10 3gwp h ALA 82 Ca 0.16 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.95 3gwp h ALA 82 Cb 0.03 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 3gwp h ALA 82 CO -0.03 0.39 -0.24 0.00 0.00 0.00 0.00 179.25 179.36 3gwp h ARG 83 N 1.10 0.61 -0.62 0.00 3.08 -1.22 0.26 114.38 117.60 3gwp h ARG 83 Ca 0.42 -0.32 0.00 0.00 0.07 0.00 0.00 59.98 60.16 3gwp h ARG 83 Cb 0.22 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.25 3gwp h ARG 83 CO -0.17 0.92 0.39 0.28 -1.07 0.00 0.00 179.97 180.32 3gwp h VAL 84 N 0.33 1.17 -0.11 2.04 2.07 -0.67 -2.41 116.25 118.67 3gwp h VAL 84 Ca 0.04 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.23 3gwp h VAL 84 Cb 0.80 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 3gwp h VAL 84 CO 0.06 0.17 0.00 0.49 0.02 0.00 0.00 177.57 178.31 3gwp n PHE 85 N -4.64 0.13 -3.69 1.57 3.72 -0.17 -4.96 117.46 109.42 3gwp n PHE 85 Ca 0.05 -0.06 -0.28 0.00 -0.05 0.00 0.00 57.45 57.11 3gwp n PHE 85 Cb 0.03 0.00 0.03 0.00 -0.94 0.00 0.00 39.48 38.60 3gwp n PHE 85 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3gwp n ASN 86 N 0.32 -5.04 -4.87 4.37 3.02 0.15 -4.40 115.26 108.82 3gwp n ASN 86 Ca 0.17 -0.63 -0.22 0.00 -0.03 0.00 0.00 54.58 53.87 3gwp n ASN 86 Cb 0.36 -4.03 -0.03 0.00 -0.61 0.00 0.00 39.78 35.46 3gwp n ASN 86 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 3gwp s THR 87 N -3.23 2.43 -0.04 3.41 -4.23 0.67 -4.92 115.64 109.72 3gwp s THR 87 Ca 0.58 -1.41 -0.21 0.00 -1.18 0.00 0.00 61.69 59.48 3gwp s THR 87 Cb -0.29 -2.83 -0.15 0.00 1.34 0.00 0.00 72.50 70.57 3gwp s THR 87 CO 0.71 0.00 0.87 -0.33 -0.54 0.00 0.00 174.62 175.34 3gwp h GLU 88 N 1.01 -0.27 -5.06 3.99 5.08 -1.79 -3.41 114.58 114.14 3gwp h GLU 88 Ca -0.40 0.02 -0.54 0.00 -1.00 0.00 0.00 59.36 57.43 3gwp h GLU 88 Cb 1.27 0.06 -0.13 0.00 0.50 0.00 0.00 28.75 30.45 3gwp h GLU 88 CO 0.59 0.12 -0.53 0.45 -1.00 0.00 0.00 179.01 178.63 3gwp s SER 89 N -5.36 2.68 0.15 1.42 0.15 -0.55 -4.87 113.70 107.31 3gwp s SER 89 Ca -0.12 -1.63 -0.19 0.00 0.70 0.00 0.00 55.95 54.71 3gwp s SER 89 Cb 0.01 0.42 0.05 0.00 -1.71 0.00 0.00 66.02 64.78 3gwp s SER 89 CO 0.45 -0.88 0.50 0.00 1.20 0.00 0.00 173.24 174.51 3gwp s ALA 90 N -3.24 -1.21 -0.38 5.45 0.00 -1.26 -2.21 121.76 118.91 3gwp s ALA 90 Ca 0.26 0.15 0.01 0.00 0.00 0.00 0.00 51.96 52.37 3gwp s ALA 90 Cb 0.04 0.79 0.14 0.00 0.00 0.00 0.00 23.12 24.09 3gwp s ALA 90 CO 0.15 -0.72 0.22 -1.17 0.00 0.00 0.00 175.76 174.24 3gwp s LEU 91 N -2.79 1.47 -0.45 0.00 2.96 0.10 -4.85 118.68 115.13 3gwp s LEU 91 Ca 0.03 -2.34 -0.11 0.00 -0.22 0.00 0.00 54.13 51.49 3gwp s LEU 91 Cb 0.00 -0.58 0.09 0.00 0.50 0.00 0.00 46.19 46.21 3gwp s LEU 91 CO -0.11 -0.29 0.32 -0.69 -1.32 0.00 0.00 176.35 174.26 3gwp s VAL 92 N 0.83 4.49 0.01 1.68 1.01 -1.26 -1.97 120.40 125.19 3gwp s VAL 92 Ca 0.18 -1.43 0.06 0.00 0.00 0.00 0.00 61.98 60.79 3gwp s VAL 92 Cb -0.22 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 3gwp s VAL 92 CO -0.00 -0.61 -0.18 -0.13 0.00 0.00 0.00 175.10 174.18 3gwp s ARG 93 N 1.47 1.34 0.00 2.72 1.81 -1.19 -4.81 118.95 120.29 3gwp s ARG 93 Ca 0.04 -0.70 0.31 0.00 -1.72 0.00 0.00 55.73 53.65 3gwp s ARG 93 Cb -0.25 -1.33 1.79 0.00 -0.45 0.00 0.00 34.95 34.71 3gwp s ARG 93 CO 0.02 0.36 2.15 -0.35 -0.68 0.00 0.00 175.30 176.80 3gwp n PRO 94 N 2.38 0.88 0.23 3.54 -0.04 -1.26 -2.81 135.00 137.92 3gwp n PRO 94 Ca -0.16 0.00 0.12 0.00 -0.04 0.00 0.00 63.50 63.43 3gwp n PRO 94 Cb 0.54 -1.50 0.32 0.00 -0.04 0.00 0.00 33.50 32.82 3gwp n PRO 94 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 3gwp h HIS 95 N 0.00 0.00 -2.62 0.54 3.86 -1.93 -3.33 115.15 111.67 3gwp h HIS 95 Ca 0.00 0.00 -0.55 0.00 -1.16 0.00 0.00 60.37 58.66 3gwp h HIS 95 Cb 0.04 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.50 3gwp h HIS 95 CO 0.00 0.06 1.12 -0.06 0.86 0.00 0.00 177.93 179.91 3gwp s PHE 96 N -3.34 1.95 0.49 2.45 0.08 -1.24 -4.88 117.98 113.48 3gwp s PHE 96 Ca 0.05 0.30 0.14 0.00 0.12 0.00 0.00 56.93 57.53 3gwp s PHE 96 Cb 0.07 -3.94 1.15 0.00 -0.57 0.00 0.00 43.02 39.72 3gwp s PHE 96 CO 0.64 -3.64 2.10 -0.39 -0.10 0.00 0.00 175.22 173.83 3gwp h VAL 97 N 5.83 1.04 -1.79 -0.44 -1.51 -1.89 -3.05 116.25 114.44 3gwp h VAL 97 Ca -0.38 -0.16 0.05 0.00 -1.23 0.00 0.00 66.70 64.99 3gwp h VAL 97 Cb 1.18 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 3gwp h VAL 97 CO 0.97 0.05 0.18 -0.46 -1.23 0.00 0.00 177.57 177.08 3gwp n ASN 98 N -4.49 -0.47 -0.27 4.19 0.23 -1.26 -4.70 115.26 108.48 3gwp n ASN 98 Ca -0.02 -1.23 -0.06 0.00 -0.53 0.00 0.00 54.58 52.74 3gwp n ASN 98 Cb 0.12 0.76 0.06 0.00 -2.08 0.00 0.00 39.78 38.64 3gwp n ASN 98 CO 0.00 0.00 0.00 1.23 -0.93 0.00 0.00 177.26 177.56 3gwp h GLY 99 N 0.56 1.17 1.34 4.83 0.00 -1.86 -2.94 103.07 106.17 3gwp h GLY 99 Ca -0.08 -0.59 0.04 0.00 0.00 0.00 0.00 47.33 46.70 3gwp h GLY 99 CO 0.10 0.56 0.36 -0.84 0.00 0.00 0.00 176.54 176.72 3gwp h THR 100 N 1.06 1.05 0.24 4.70 2.02 -1.96 0.80 112.91 120.82 3gwp h THR 100 Ca 0.26 -0.20 -0.01 0.00 0.77 0.00 0.00 66.41 67.22 3gwp h THR 100 Cb 0.13 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3gwp h THR 100 CO -0.03 0.11 -0.11 -0.74 0.37 0.00 0.00 175.52 175.11 3gwp h HIS 101 N 0.59 -0.30 -0.22 3.16 6.17 -1.92 -0.36 115.15 122.27 3gwp h HIS 101 Ca 0.22 -0.01 0.04 0.00 0.71 0.00 0.00 60.37 61.33 3gwp h HIS 101 Cb 0.14 0.10 -0.03 0.00 2.52 0.00 0.00 27.41 30.13 3gwp h HIS 101 CO -0.00 -0.04 0.00 0.00 0.71 0.00 0.00 177.93 178.60 3gwp h ALA 102 N 0.17 0.19 -0.26 5.26 0.00 -1.22 0.53 119.26 123.92 3gwp h ALA 102 Ca -0.03 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gwp h ALA 102 Cb 0.39 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3gwp h ALA 102 CO 0.05 -0.43 0.11 -0.07 0.00 0.00 0.00 179.25 178.92 3gwp h LEU 103 N 0.07 0.35 -0.95 0.00 3.38 -0.90 -2.52 115.31 114.74 3gwp h LEU 103 Ca 0.10 -0.15 -0.06 0.00 0.09 0.00 0.00 57.88 57.86 3gwp h LEU 103 Cb 0.13 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3gwp h LEU 103 CO -0.17 0.41 0.11 1.23 0.09 0.00 0.00 178.44 180.10 3gwp h GLY 104 N 0.28 0.94 1.45 0.83 0.00 -0.78 -2.56 103.07 103.23 3gwp h GLY 104 Ca 0.09 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 3gwp h GLY 104 CO -0.01 0.53 0.31 0.00 0.00 0.00 0.00 176.54 177.38 3gwp h ALA 105 N 1.28 1.54 -0.31 3.60 0.00 0.25 -1.19 119.26 124.43 3gwp h ALA 105 Ca 0.18 -0.07 -0.13 0.00 0.00 0.00 0.00 54.91 54.89 3gwp h ALA 105 Cb 0.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 3gwp h ALA 105 CO 0.00 0.40 -0.30 0.00 0.00 0.00 0.00 179.25 179.35 3gwp h ALA 106 N 1.60 0.46 0.23 0.00 0.00 -1.09 -2.07 119.26 118.38 3gwp h ALA 106 Ca 0.19 -0.41 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3gwp h ALA 106 Cb -0.01 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3gwp h ALA 106 CO -0.04 0.48 -0.11 -0.07 0.00 0.00 0.00 179.25 179.52 3gwp h LEU 107 N 0.52 -0.26 -1.67 0.00 3.38 -1.06 -1.25 115.31 114.96 3gwp h LEU 107 Ca 0.05 -0.22 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 3gwp h LEU 107 Cb 0.87 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 3gwp h LEU 107 CO 0.07 0.10 0.15 -0.26 0.09 0.00 0.00 178.44 178.60 3gwp h PHE 108 N -0.66 0.36 -0.28 1.13 0.04 -1.34 -2.15 116.94 114.05 3gwp h PHE 108 Ca -0.03 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.57 3gwp h PHE 108 Cb 0.46 -0.12 -0.00 0.00 2.20 0.00 0.00 35.95 38.49 3gwp h PHE 108 CO 0.03 0.25 -0.49 0.78 -0.60 0.00 0.00 178.31 178.28 3gwp h GLY 109 N 0.43 0.83 -2.53 -1.45 0.00 -1.27 -3.31 103.07 95.78 3gwp h GLY 109 Ca 0.10 -0.93 0.00 0.00 0.00 0.00 0.00 47.33 46.50 3gwp h GLY 109 CO -0.02 0.83 0.00 0.70 0.00 0.00 0.00 176.54 178.06 3gwp n ASN 110 N -4.01 4.60 -3.91 0.19 3.02 -0.48 -4.59 115.26 110.08 3gwp n ASN 110 Ca -0.03 -2.76 -0.24 0.00 -0.03 0.00 0.00 54.58 51.52 3gwp n ASN 110 Cb 0.59 -0.57 -0.17 0.00 -0.61 0.00 0.00 39.78 39.02 3gwp n ASN 110 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3gwp s LEU 111 N -2.41 1.22 0.26 3.41 1.43 -0.83 -4.94 118.68 116.83 3gwp s LEU 111 Ca 0.47 -0.22 0.09 0.00 -1.03 0.00 0.00 54.13 53.44 3gwp s LEU 111 Cb 0.34 -0.66 -0.04 0.00 0.03 0.00 0.00 46.19 45.86 3gwp s LEU 111 CO 0.15 -0.08 0.03 -0.13 0.23 0.00 0.00 176.35 176.56 3gwp s ARG 112 N 1.30 2.42 0.20 1.70 1.81 -1.26 -4.84 118.95 120.28 3gwp s ARG 112 Ca -0.04 -1.33 -0.32 0.00 -1.72 0.00 0.00 55.73 52.32 3gwp s ARG 112 Cb -0.14 -2.25 -0.15 0.00 -0.45 0.00 0.00 34.95 31.96 3gwp s ARG 112 CO -0.03 0.38 1.27 -2.30 -0.68 0.00 0.00 175.30 173.94 3gwp n PRO 113 N -0.91 1.53 0.00 3.54 -0.02 -1.26 -2.03 135.00 135.85 3gwp n PRO 113 Ca -0.07 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 61.96 3gwp n PRO 113 Cb 0.59 -2.11 0.00 0.00 -0.02 0.00 0.00 33.50 31.95 3gwp n PRO 113 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gwp n GLY 114 N 2.10 2.65 3.77 -1.23 0.00 0.36 -4.96 105.19 107.87 3gwp n GLY 114 Ca 0.14 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.60 3gwp n GLY 114 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3gwp s ASN 115 N 0.53 6.66 0.00 1.61 0.01 -0.86 -4.75 114.94 118.14 3gwp s ASN 115 Ca 0.00 2.41 0.00 0.00 -0.71 0.00 0.00 52.86 54.56 3gwp s ASN 115 Cb 0.00 -2.62 0.00 0.00 0.41 0.00 0.00 41.25 39.04 3gwp s ASN 115 CO 0.00 -0.58 0.00 0.41 -1.51 0.00 0.00 177.10 175.42 3gwp n THR 116 N 0.36 0.00 0.00 1.60 -1.04 -0.32 -1.03 114.28 113.85 3gwp n THR 116 Ca 0.03 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 3gwp n THR 116 Cb 0.45 -0.75 0.00 0.00 -1.82 0.00 0.00 70.33 68.21 3gwp n THR 116 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3gwp n LEU 118 N 0.00 0.00 -4.60 -4.42 7.94 -1.09 -2.70 117.00 112.13 3gwp n LEU 118 Ca 0.00 0.00 -0.42 0.00 -1.11 0.00 0.00 56.01 54.48 3gwp n LEU 118 Cb 0.00 0.00 -0.04 0.00 0.53 0.00 0.00 43.42 43.91 3gwp n LEU 118 CO 0.00 0.00 0.68 -0.44 -1.11 0.00 0.00 177.39 176.52 3gwp s SER 119 N 0.00 6.63 0.00 1.96 0.01 -1.09 -0.72 113.70 120.48 3gwp s SER 119 Ca 0.00 0.49 0.28 0.00 1.31 0.00 0.00 55.95 58.03 3gwp s SER 119 Cb 0.00 -2.44 1.00 0.00 0.21 0.00 0.00 66.02 64.80 3gwp s SER 119 CO 0.00 -0.80 1.72 1.33 0.41 0.00 0.00 173.24 175.90 3gwp n VAL 120 N 5.89 0.00 -2.29 3.43 0.24 -0.89 -1.14 118.33 123.58 3gwp n VAL 120 Ca 0.05 -0.10 -0.29 0.00 -2.04 0.00 0.00 64.34 61.96 3gwp n VAL 120 Cb 0.48 0.17 0.01 0.00 -1.47 0.00 0.00 33.84 33.04 3gwp n VAL 120 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3gwp n GLY 122 N -0.54 0.16 3.72 0.00 0.00 -0.75 -4.69 105.19 103.09 3gwp n GLY 122 Ca 0.43 -0.92 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 3gwp n GLY 122 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gwp s GLU 123 N 0.00 4.39 1.07 1.61 2.02 -1.26 -4.72 118.70 121.80 3gwp s GLU 123 Ca 0.00 1.94 -0.18 0.00 0.02 0.00 0.00 54.97 56.75 3gwp s GLU 123 Cb 0.00 -3.28 0.26 0.00 0.10 0.00 0.00 34.13 31.22 3gwp s GLU 123 CO 0.00 -0.31 0.99 -0.35 0.02 0.00 0.00 175.26 175.61 3gwp n PRO 124 N 3.65 -2.74 -1.58 0.39 -0.04 -1.26 -4.93 135.00 128.49 3gwp n PRO 124 Ca 0.09 -1.58 -0.50 0.00 -0.04 0.00 0.00 63.50 61.47 3gwp n PRO 124 Cb 0.44 -1.43 -0.05 0.00 -0.04 0.00 0.00 33.50 32.42 3gwp n PRO 124 CO 0.00 0.00 0.00 0.98 -0.04 0.00 0.00 175.50 176.44 3gwp n TYR 125 N -4.51 1.34 -0.35 0.54 9.36 -1.26 -4.85 117.16 117.42 3gwp n TYR 125 Ca 0.14 0.68 0.29 0.00 3.32 0.00 0.00 57.90 62.32 3gwp n TYR 125 Cb 0.52 -2.29 0.54 0.00 -0.63 0.00 0.00 39.34 37.49 3gwp n TYR 125 CO 0.00 0.00 0.00 0.38 0.22 0.00 0.00 176.86 177.46 3gwp h ASP 126 N 3.81 0.41 1.04 2.98 2.03 -2.03 0.58 116.42 125.24 3gwp h ASP 126 Ca -0.45 0.19 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 3gwp h ASP 126 Cb 1.34 0.16 0.00 0.00 -0.83 0.00 0.00 39.33 40.00 3gwp h ASP 126 CO 0.73 -0.21 0.00 0.35 -1.03 0.00 0.00 179.24 179.08 3gwp n THR 127 N -5.00 0.50 1.41 1.15 -2.24 -1.26 -3.28 114.28 105.56 3gwp n THR 127 Ca 0.34 -0.02 0.14 0.00 -2.27 0.00 0.00 64.05 62.23 3gwp n THR 127 Cb 1.15 -0.71 0.48 0.00 -2.10 0.00 0.00 70.33 69.14 3gwp n THR 127 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 3gwp n LEU 128 N -1.89 1.32 -0.05 3.22 7.94 0.19 -4.34 117.00 123.41 3gwp n LEU 128 Ca 0.05 -0.41 -0.12 0.00 -1.11 0.00 0.00 56.01 54.43 3gwp n LEU 128 Cb 0.33 -0.04 -0.06 0.00 0.53 0.00 0.00 43.42 44.18 3gwp n LEU 128 CO 0.25 0.23 0.77 0.45 -1.11 0.00 0.00 177.39 177.98 3gwp h HIS 129 N 1.93 0.28 -0.01 1.96 3.86 -1.66 -2.75 115.15 118.77 3gwp h HIS 129 Ca 0.00 -0.04 -0.10 0.00 -1.16 0.00 0.00 60.37 59.06 3gwp h HIS 129 Cb 0.50 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 3gwp h HIS 129 CO 0.00 0.44 -0.49 -0.44 0.86 0.00 0.00 177.93 178.30 3gwp h ASP 130 N 0.04 0.01 -0.37 2.45 3.32 -1.84 0.46 116.42 120.48 3gwp h ASP 130 Ca 0.05 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3gwp h ASP 130 Cb 0.32 -0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.85 3gwp h ASP 130 CO 0.00 0.50 0.22 0.58 -1.72 0.00 0.00 179.24 178.83 3gwp h VAL 131 N 0.01 1.12 0.08 -1.35 2.07 -1.77 -2.95 116.25 113.47 3gwp h VAL 131 Ca -0.00 -0.29 -0.25 0.00 0.82 0.00 0.00 66.70 66.97 3gwp h VAL 131 Cb 0.87 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 3gwp h VAL 131 CO 0.06 0.13 -1.12 0.40 0.02 0.00 0.00 177.57 177.06 3gwp h ILE 132 N 0.49 1.46 -2.54 4.57 2.04 -1.37 -1.95 117.51 120.21 3gwp h ILE 132 Ca 0.13 -2.83 -0.04 0.00 1.00 0.00 0.00 64.86 63.13 3gwp h ILE 132 Cb 0.01 2.74 0.02 0.00 -0.74 0.00 0.00 36.82 38.85 3gwp h ILE 132 CO -0.02 0.83 -0.10 0.61 0.00 0.00 0.00 178.15 179.47 3gwp n GLY 133 N 1.30 0.36 0.18 5.37 0.00 0.16 -2.13 105.19 110.43 3gwp n GLY 133 Ca -0.08 -0.38 -0.13 0.00 0.00 0.00 0.00 46.02 45.42 3gwp n GLY 133 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3gwp h ILE 134 N -0.23 0.76 -3.75 -0.61 2.04 -1.78 -3.42 117.51 110.52 3gwp h ILE 134 Ca -0.08 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.12 3gwp h ILE 134 Cb 1.04 1.06 -0.17 0.00 -0.74 0.00 0.00 36.82 38.02 3gwp h ILE 134 CO 0.06 0.11 -0.47 0.42 0.00 0.00 0.00 178.15 178.28 3gwp s THR 135 N -4.86 0.13 -0.56 -0.27 -4.23 -1.26 -5.00 115.64 99.59 3gwp s THR 135 Ca -0.14 -1.09 -0.12 0.00 -1.18 0.00 0.00 61.69 59.15 3gwp s THR 135 Cb 0.03 -1.02 0.02 0.00 1.34 0.00 0.00 72.50 72.87 3gwp s THR 135 CO 0.57 -0.60 0.64 -1.84 -0.54 0.00 0.00 174.62 172.85 3gwp n GLU 136 N 0.56 -1.93 -3.64 3.99 -0.00 -1.26 -4.89 120.64 113.47 3gwp n GLU 136 Ca -0.18 1.74 -0.38 0.00 -0.00 0.00 0.00 57.16 58.34 3gwp n GLU 136 Cb 0.59 -5.00 -0.11 0.00 -0.00 0.00 0.00 31.44 26.91 3gwp n GLU 136 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.13 176.33 3gwp s ASN 137 N -2.63 5.69 0.32 -1.84 0.02 -1.26 -5.02 114.94 110.23 3gwp s ASN 137 Ca 0.17 -0.19 0.04 0.00 -1.02 0.00 0.00 52.86 51.85 3gwp s ASN 137 Cb -0.04 -2.05 -0.02 0.00 0.02 0.00 0.00 41.25 39.16 3gwp s ASN 137 CO 0.79 -0.09 0.48 -0.94 0.02 0.00 0.00 177.10 177.36 3gwp s SER 138 N 1.69 6.14 -0.30 -1.22 1.04 -1.26 -5.15 113.70 114.64 3gwp s SER 138 Ca 0.06 0.11 -0.29 0.00 0.48 0.00 0.00 55.95 56.31 3gwp s SER 138 Cb -0.16 -1.66 -0.01 0.00 0.10 0.00 0.00 66.02 64.28 3gwp s SER 138 CO 0.08 -0.32 1.57 0.21 0.98 0.00 0.00 173.24 175.76 3gwp s ASN 139 N -4.08 6.30 -0.35 7.02 2.47 -1.26 -4.81 114.94 120.22 3gwp s ASN 139 Ca 0.41 1.32 0.14 0.00 0.42 0.00 0.00 52.86 55.14 3gwp s ASN 139 Cb -0.09 -2.53 0.43 0.00 -1.45 0.00 0.00 41.25 37.60 3gwp s ASN 139 CO 0.32 -1.37 1.20 0.61 -3.72 0.00 0.00 177.10 174.15 3gwp n GLY 141 N 4.87 1.50 3.84 1.21 0.00 -1.26 -5.25 105.19 110.11 3gwp n GLY 141 Ca 0.19 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 45.27 3gwp n GLY 141 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gwp s SER 142 N -2.13 4.08 0.29 1.61 1.04 -1.26 -4.85 113.70 112.48 3gwp s SER 142 Ca 0.23 0.89 -0.00 0.00 0.48 0.00 0.00 55.95 57.55 3gwp s SER 142 Cb 0.42 -1.44 0.50 0.00 0.10 0.00 0.00 66.02 65.60 3gwp s SER 142 CO -0.04 -2.18 1.91 -0.07 0.98 0.00 0.00 173.24 173.83 3gwp h LEU 143 N -1.25 0.94 -0.87 2.42 3.38 -1.11 -1.53 115.31 117.29 3gwp h LEU 143 Ca -0.48 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.41 3gwp h LEU 143 Cb 1.33 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3gwp h LEU 143 CO 0.64 0.61 -0.10 0.50 0.09 0.00 0.00 178.44 180.18 3gwp h LYS 144 N 1.07 0.73 0.00 1.13 1.63 -1.32 0.42 116.57 120.23 3gwp h LYS 144 Ca 0.40 -0.23 -0.00 0.00 -0.85 0.00 0.00 60.65 59.96 3gwp h LYS 144 Cb 0.18 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 31.74 3gwp h LYS 144 CO -0.15 0.81 -0.02 0.93 -3.45 0.00 0.00 179.45 177.57 3gwp h GLU 145 N 0.67 0.00 -0.64 1.90 5.08 -1.60 -2.42 114.58 117.56 3gwp h GLU 145 Ca 0.12 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.48 3gwp h GLU 145 Cb 0.55 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.80 3gwp h GLU 145 CO 0.03 0.02 0.00 1.19 -1.00 0.00 0.00 179.01 179.25 3gwp n PHE 146 N -3.12 1.59 -1.02 4.33 3.72 -0.84 -4.93 117.46 117.19 3gwp n PHE 146 Ca 0.01 -0.63 -0.01 0.00 -0.05 0.00 0.00 57.45 56.77 3gwp n PHE 146 Cb 0.34 -0.29 -0.00 0.00 -0.94 0.00 0.00 39.48 38.59 3gwp n PHE 146 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gwp n GLY 147 N 1.04 0.48 3.54 1.37 0.00 -0.91 -4.17 105.19 106.54 3gwp n GLY 147 Ca 0.26 -0.56 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3gwp n GLY 147 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gwp s ILE 148 N -2.00 5.24 0.70 -0.61 1.01 0.14 -0.49 121.20 125.19 3gwp s ILE 148 Ca 0.00 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 3gwp s ILE 148 Cb 0.00 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.74 3gwp s ILE 148 CO 0.00 -0.02 1.09 0.20 0.00 0.00 0.00 174.94 176.21 3gwp s ASN 149 N 1.73 5.54 -0.02 3.58 0.01 -0.20 -2.97 114.94 122.61 3gwp s ASN 149 Ca 0.09 1.16 0.01 0.00 -0.71 0.00 0.00 52.86 53.41 3gwp s ASN 149 Cb -0.17 -1.99 0.01 0.00 0.41 0.00 0.00 41.25 39.51 3gwp s ASN 149 CO 0.11 -1.29 -0.04 -0.47 -1.51 0.00 0.00 177.10 173.90 3gwp s TYR 150 N -3.34 0.51 0.24 2.20 5.04 -1.26 -4.35 117.35 116.39 3gwp s TYR 150 Ca 0.58 -0.10 0.05 0.00 -2.44 0.00 0.00 57.07 55.16 3gwp s TYR 150 Cb -0.11 -0.40 -0.05 0.00 0.35 0.00 0.00 41.96 41.75 3gwp s TYR 150 CO 0.52 -0.06 -0.04 -1.59 -1.34 0.00 0.00 175.55 173.04 3gwp s LYS 151 N 0.26 1.40 -0.02 4.97 0.00 -1.26 -5.02 119.74 120.07 3gwp s LYS 151 Ca -0.03 -1.70 -0.06 0.00 0.00 0.00 0.00 55.97 54.18 3gwp s LYS 151 Cb -0.06 -0.83 0.01 0.00 0.00 0.00 0.00 37.83 36.94 3gwp s LYS 151 CO -0.00 -0.03 0.14 -1.14 0.00 0.00 0.00 175.35 174.32 3gwp s GLN 152 N -3.80 0.38 -0.06 1.78 0.74 -1.26 -2.69 119.66 114.74 3gwp s GLN 152 Ca 0.28 -0.20 -0.03 0.00 0.05 0.00 0.00 55.36 55.46 3gwp s GLN 152 Cb 0.05 0.16 0.04 0.00 1.10 0.00 0.00 33.01 34.35 3gwp s GLN 152 CO 0.09 -0.08 0.06 0.08 -0.55 0.00 0.00 175.29 174.89 3gwp s VAL 153 N -0.89 -0.09 0.58 1.34 1.01 -0.29 -4.95 120.40 117.10 3gwp s VAL 153 Ca -0.10 0.31 -0.14 0.00 0.00 0.00 0.00 61.98 62.06 3gwp s VAL 153 Cb -0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 36.38 36.03 3gwp s VAL 153 CO 0.01 0.10 1.01 -1.81 0.00 0.00 0.00 175.10 174.41 3gwp s ASP 154 N 2.16 6.35 0.79 3.32 1.11 -1.26 -1.82 116.67 127.32 3gwp s ASP 154 Ca 0.04 1.51 -0.11 0.00 0.18 0.00 0.00 52.55 54.18 3gwp s ASP 154 Cb -0.13 -2.49 0.07 0.00 1.07 0.00 0.00 42.92 41.44 3gwp s ASP 154 CO -0.04 -0.78 1.09 -0.76 1.18 0.00 0.00 175.17 175.85 3gwp s LEU 155 N -4.68 2.84 0.89 1.23 1.43 -1.26 -4.45 118.68 114.68 3gwp s LEU 155 Ca 0.57 1.69 -0.11 0.00 -1.03 0.00 0.00 54.13 55.25 3gwp s LEU 155 Cb -0.11 -4.34 0.12 0.00 0.03 0.00 0.00 46.19 41.89 3gwp s LEU 155 CO 0.43 -2.09 1.09 -0.54 0.23 0.00 0.00 176.35 175.47 3gwp s LYS 156 N -4.95 1.33 0.35 1.70 3.01 -0.38 -4.87 119.74 115.94 3gwp s LYS 156 Ca 0.61 0.90 0.07 0.00 -1.01 0.00 0.00 55.97 56.54 3gwp s LYS 156 Cb -0.17 -1.81 0.75 0.00 -1.01 0.00 0.00 37.83 35.59 3gwp s LYS 156 CO 0.56 -2.21 1.92 1.05 0.51 0.00 0.00 175.35 177.18 3gwp h GLU 157 N -1.53 0.73 0.00 1.68 9.09 -1.96 -2.01 114.58 120.58 3gwp h GLU 157 Ca -0.49 -0.04 -0.00 0.00 0.05 0.00 0.00 59.36 58.88 3gwp h GLU 157 Cb 1.28 -0.17 -0.00 0.00 -1.65 0.00 0.00 28.75 28.21 3gwp h GLU 157 CO 0.54 0.48 -0.00 0.38 0.05 0.00 0.00 179.01 180.46 3gwp h ASP 158 N 0.75 0.00 0.00 3.06 3.04 -2.03 -3.47 116.42 117.77 3gwp h ASP 158 Ca 0.37 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.16 3gwp h ASP 158 Cb 0.44 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.73 3gwp h ASP 158 CO -0.15 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 177.67 3gwp n GLY 159 N 0.05 0.88 3.76 7.15 0.00 -0.76 -4.77 105.19 111.50 3gwp n GLY 159 Ca 0.01 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.65 3gwp n GLY 159 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gwp s LYS 160 N 0.00 2.33 0.35 1.61 0.00 -1.26 -4.65 119.74 118.13 3gwp s LYS 160 Ca 0.00 1.31 -0.27 0.00 0.00 0.00 0.00 55.97 57.01 3gwp s LYS 160 Cb 0.00 -1.90 -0.09 0.00 0.00 0.00 0.00 37.83 35.84 3gwp s LYS 160 CO 0.00 -1.60 1.14 -1.25 0.00 0.00 0.00 175.35 173.64 3gwp s PRO 161 N -4.55 4.31 -1.05 1.78 0.04 -1.26 -1.24 135.00 133.02 3gwp s PRO 161 Ca 0.64 1.81 -0.20 0.00 0.04 0.00 0.00 61.00 63.29 3gwp s PRO 161 Cb -0.19 -2.87 0.08 0.00 0.04 0.00 0.00 34.50 31.56 3gwp s PRO 161 CO 0.51 -0.09 1.41 1.21 0.04 0.00 0.00 177.00 180.07 3gwp s ASN 162 N -1.06 6.62 0.47 6.66 3.84 -1.26 -4.76 114.94 125.45 3gwp s ASN 162 Ca 0.52 -1.86 0.24 0.00 0.21 0.00 0.00 52.86 51.96 3gwp s ASN 162 Cb -0.31 -2.52 1.13 0.00 -0.55 0.00 0.00 41.25 39.01 3gwp s ASN 162 CO 0.39 -1.29 1.94 -0.07 -2.79 0.00 0.00 177.10 175.28 3gwp h LEU 163 N 11.93 0.00 -0.27 3.21 3.38 -1.96 -2.44 115.31 129.15 3gwp h LEU 163 Ca 0.23 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.08 3gwp h LEU 163 Cb 0.98 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.73 3gwp h LEU 163 CO 1.34 0.21 -0.32 -0.33 0.09 0.00 0.00 178.44 179.43 3gwp h GLU 164 N 0.00 0.69 -0.03 1.13 4.39 -2.01 -2.92 114.58 115.84 3gwp h GLU 164 Ca -0.00 -0.38 -0.16 0.00 0.34 0.00 0.00 59.36 59.16 3gwp h GLU 164 Cb 0.54 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 3gwp h GLU 164 CO 0.03 1.00 -0.69 1.49 -1.16 0.00 0.00 179.01 179.68 3gwp h GLU 165 N 0.43 0.16 -0.62 2.33 4.57 -1.94 -2.84 114.58 116.68 3gwp h GLU 165 Ca 0.04 -0.13 -0.02 0.00 -1.18 0.00 0.00 59.36 58.07 3gwp h GLU 165 Cb 0.90 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 29.48 3gwp h GLU 165 CO 0.08 0.79 0.32 0.82 -1.18 0.00 0.00 179.01 179.84 3gwp h ILE 166 N 0.11 1.21 -0.30 2.32 2.04 -1.46 -2.08 117.51 119.35 3gwp h ILE 166 Ca -0.02 -0.55 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 3gwp h ILE 166 Cb 1.23 0.44 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 3gwp h ILE 166 CO 0.10 0.23 0.07 -0.33 0.00 0.00 0.00 178.15 178.22 3gwp h GLU 167 N 0.84 0.48 -0.76 2.37 5.08 -1.46 -1.69 114.58 119.43 3gwp h GLU 167 Ca 0.21 -0.12 0.03 0.00 -1.00 0.00 0.00 59.36 58.48 3gwp h GLU 167 Cb 0.08 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.22 3gwp h GLU 167 CO -0.03 0.56 0.49 -0.22 -1.00 0.00 0.00 179.01 178.81 3gwp h LYS 168 N 0.31 0.93 -0.14 2.33 3.64 -1.42 0.00 116.57 122.23 3gwp h LYS 168 Ca 0.09 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3gwp h LYS 168 Cb 0.30 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 3gwp h LYS 168 CO 0.00 0.62 -0.05 0.28 -2.27 0.00 0.00 179.45 178.03 3gwp h VAL 169 N 0.96 1.30 -0.63 2.00 2.07 -1.28 -1.45 116.25 119.23 3gwp h VAL 169 Ca 0.30 -1.05 -0.09 0.00 0.82 0.00 0.00 66.70 66.68 3gwp h VAL 169 Cb -0.01 1.70 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 3gwp h VAL 169 CO -0.10 0.31 0.04 -0.07 0.02 0.00 0.00 177.57 177.76 3gwp h LEU 170 N -0.03 1.05 -0.38 2.57 3.38 -1.17 -2.24 115.31 118.49 3gwp h LEU 170 Ca 0.03 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.62 3gwp h LEU 170 Cb 0.50 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3gwp h LEU 170 CO 0.02 1.08 -0.14 0.11 0.09 0.00 0.00 178.44 179.60 3gwp h LYS 171 N 0.99 0.76 -0.02 1.13 1.57 -1.02 -3.11 116.57 116.87 3gwp h LYS 171 Ca 0.18 -0.31 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 3gwp h LYS 171 Cb 0.52 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3gwp h LYS 171 CO 0.02 0.93 0.00 -0.85 -0.57 0.00 0.00 179.45 178.98 3gwp n GLU 172 N -4.32 1.14 -3.33 3.15 0.00 -0.55 -4.52 120.64 112.21 3gwp n GLU 172 Ca -0.02 -0.20 -0.12 0.00 0.00 0.00 0.00 57.16 56.82 3gwp n GLU 172 Cb 0.38 -1.36 -0.06 0.00 0.00 0.00 0.00 31.44 30.40 3gwp n GLU 172 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 3gwp s ASP 173 N -1.69 0.62 0.00 -1.84 2.15 -0.85 -5.02 116.67 110.04 3gwp s ASP 173 Ca 0.33 -1.04 0.19 0.00 0.43 0.00 0.00 52.55 52.47 3gwp s ASP 173 Cb 0.16 0.91 0.85 0.00 -0.30 0.00 0.00 42.92 44.53 3gwp s ASP 173 CO 0.26 -0.29 1.61 -0.62 -0.17 0.00 0.00 175.17 175.97 3gwp n GLU 174 N 4.70 0.05 0.23 4.34 1.02 -1.26 -3.05 120.64 126.67 3gwp n GLU 174 Ca 0.07 0.16 0.15 0.00 -0.02 0.00 0.00 57.16 57.52 3gwp n GLU 174 Cb 0.48 -1.50 0.58 0.00 -0.02 0.00 0.00 31.44 30.98 3gwp n GLU 174 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3gwp h SER 175 N 0.00 0.00 -2.74 1.62 0.87 -1.91 -3.43 113.55 107.96 3gwp h SER 175 Ca 0.00 0.00 -0.57 0.00 -1.23 0.00 0.00 61.79 59.99 3gwp h SER 175 Cb 0.31 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.23 3gwp h SER 175 CO 0.00 0.00 1.24 -0.63 -0.53 0.00 0.00 176.83 176.91 3gwp s ILE 176 N -3.52 3.56 -0.69 2.23 1.01 -1.17 -1.17 121.20 121.46 3gwp s ILE 176 Ca 0.03 0.55 0.14 0.00 0.00 0.00 0.00 60.65 61.37 3gwp s ILE 176 Cb 0.09 -3.79 -0.15 0.00 0.01 0.00 0.00 42.46 38.61 3gwp s ILE 176 CO 0.53 -0.53 0.61 0.35 0.00 0.00 0.00 174.94 175.89 3gwp n THR 177 N 7.32 0.00 -3.94 2.92 -2.24 -1.10 -4.85 114.28 112.39 3gwp n THR 177 Ca 0.21 -0.16 -0.12 0.00 -2.27 0.00 0.00 64.05 61.71 3gwp n THR 177 Cb 0.47 1.00 -0.13 0.00 -2.10 0.00 0.00 70.33 69.57 3gwp n THR 177 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 3gwp s LEU 178 N -2.67 2.06 -0.16 3.22 2.96 -1.25 -1.01 118.68 121.83 3gwp s LEU 178 Ca 0.05 -0.14 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 3gwp s LEU 178 Cb 0.11 -0.02 0.01 0.00 0.50 0.00 0.00 46.19 46.79 3gwp s LEU 178 CO 0.58 -0.06 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.67 3gwp s VAL 179 N -0.38 2.15 -0.23 1.68 1.01 -0.18 -2.66 120.40 121.79 3gwp s VAL 179 Ca -0.03 -0.93 -0.16 0.00 0.00 0.00 0.00 61.98 60.87 3gwp s VAL 179 Cb -0.03 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.42 3gwp s VAL 179 CO -0.00 0.54 0.39 -2.28 0.00 0.00 0.00 175.10 173.75 3gwp s HIS 180 N 1.08 3.31 -0.33 5.22 2.46 0.10 -0.81 115.29 126.32 3gwp s HIS 180 Ca -0.00 0.53 0.02 0.00 0.47 0.00 0.00 55.06 56.08 3gwp s HIS 180 Cb -0.14 -2.55 0.10 0.00 -0.13 0.00 0.00 32.58 29.86 3gwp s HIS 180 CO -0.08 -0.12 0.07 0.42 -2.47 0.00 0.00 174.74 172.57 3gwp s ILE 181 N 1.69 1.78 -0.15 0.89 1.01 0.11 -2.09 121.20 124.44 3gwp s ILE 181 Ca 0.17 -2.04 -0.28 0.00 0.00 0.00 0.00 60.65 58.50 3gwp s ILE 181 Cb -0.15 -2.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.99 3gwp s ILE 181 CO 0.09 -0.64 0.95 -1.58 0.00 0.00 0.00 174.94 173.76 3gwp s GLN 182 N 1.12 4.35 -0.13 2.79 0.74 -1.26 -1.69 119.66 125.58 3gwp s GLN 182 Ca 0.11 1.26 -0.24 0.00 0.05 0.00 0.00 55.36 56.54 3gwp s GLN 182 Cb -0.19 -3.57 -0.26 0.00 1.10 0.00 0.00 33.01 30.09 3gwp s GLN 182 CO -0.14 -0.38 0.65 -0.09 -0.55 0.00 0.00 175.29 174.78 3gwp h ARG 183 N 7.25 0.11 -7.05 1.67 2.43 -1.83 -3.47 114.38 113.49 3gwp h ARG 183 Ca -0.28 -0.19 -0.52 0.00 -0.81 0.00 0.00 59.98 58.18 3gwp h ARG 183 Cb 1.12 0.07 0.10 0.00 -0.42 0.00 0.00 29.97 30.84 3gwp h ARG 183 CO 0.87 1.09 0.50 0.45 -1.51 0.00 0.00 179.97 181.38 3gwp s SER 184 N -6.65 5.58 0.00 -3.80 0.15 -1.26 -3.56 113.70 104.16 3gwp s SER 184 Ca -0.20 2.42 0.00 0.00 0.70 0.00 0.00 55.95 58.87 3gwp s SER 184 Cb 0.01 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.71 3gwp s SER 184 CO 0.72 -1.33 0.00 1.07 1.20 0.00 0.00 173.24 174.90 3gwp n THR 185 N -1.07 0.00 -2.21 6.45 5.66 -1.26 -4.92 114.28 116.92 3gwp n THR 185 Ca 0.11 0.00 -0.33 0.00 -3.05 0.00 0.00 64.05 60.78 3gwp n THR 185 Cb 0.48 -0.98 -0.04 0.00 -1.55 0.00 0.00 70.33 68.24 3gwp n THR 185 CO 0.00 0.00 0.00 0.86 -3.05 0.00 0.00 175.07 172.88 3gwp s TRP 189 N 1.42 2.00 -0.04 1.09 -0.11 -1.26 -5.13 118.94 116.92 3gwp s TRP 189 Ca 0.00 0.23 -0.31 0.00 1.22 0.00 0.00 56.10 57.24 3gwp s TRP 189 Cb 0.00 -4.26 0.13 0.00 -1.50 0.00 0.00 33.47 27.84 3gwp s TRP 189 CO 0.00 -1.90 1.33 1.03 -4.62 0.00 0.00 176.95 172.79 3gwp s ARG 190 N 6.40 0.29 0.23 5.86 1.81 -1.26 -5.14 118.95 127.14 3gwp s ARG 190 Ca 0.61 -0.17 -0.30 0.00 -1.72 0.00 0.00 55.73 54.16 3gwp s ARG 190 Cb -0.06 0.10 -0.09 0.00 -0.45 0.00 0.00 34.95 34.45 3gwp s ARG 190 CO 0.01 -0.13 1.26 1.03 -0.68 0.00 0.00 175.30 176.79 3gwp s ARG 191 N -2.27 4.43 0.47 3.54 0.52 -1.26 -4.81 118.95 119.57 3gwp s ARG 191 Ca 0.16 2.02 -0.22 0.00 -0.52 0.00 0.00 55.73 57.17 3gwp s ARG 191 Cb 0.05 -3.18 -0.07 0.00 0.52 0.00 0.00 34.95 32.27 3gwp s ARG 191 CO -0.04 -0.15 1.13 0.00 0.02 0.00 0.00 175.30 176.25 3gwp s ALA 192 N -0.32 2.93 -0.44 2.13 0.00 -1.26 -4.92 121.76 119.88 3gwp s ALA 192 Ca 0.53 0.84 -0.29 0.00 0.00 0.00 0.00 51.96 53.04 3gwp s ALA 192 Cb -0.36 -3.35 0.02 0.00 0.00 0.00 0.00 23.12 19.44 3gwp s ALA 192 CO 0.41 -0.57 1.20 -1.17 0.00 0.00 0.00 175.76 175.63 3gwp s LEU 193 N -3.14 3.66 0.77 0.00 2.96 -1.23 -4.78 118.68 116.93 3gwp s LEU 193 Ca 0.65 0.63 -0.10 0.00 -0.22 0.00 0.00 54.13 55.08 3gwp s LEU 193 Cb -0.25 -3.55 0.07 0.00 0.50 0.00 0.00 46.19 42.96 3gwp s LEU 193 CO 0.31 -1.25 1.12 -0.76 -1.32 0.00 0.00 176.35 174.45 3gwp s LEU 194 N 4.58 2.61 0.23 -0.68 1.43 -1.26 -4.72 118.68 120.87 3gwp s LEU 194 Ca 0.51 0.68 -0.08 0.00 -1.03 0.00 0.00 54.13 54.21 3gwp s LEU 194 Cb -0.09 -3.23 0.24 0.00 0.03 0.00 0.00 46.19 43.13 3gwp s LEU 194 CO 0.30 -1.79 1.88 0.40 0.23 0.00 0.00 176.35 177.36 3gwp h ILE 195 N -0.90 1.15 -0.47 -0.59 1.08 -1.95 -1.51 117.51 114.31 3gwp h ILE 195 Ca -0.45 -0.36 -0.06 0.00 -0.39 0.00 0.00 64.86 63.59 3gwp h ILE 195 Cb 1.32 0.00 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 3gwp h ILE 195 CO 0.64 0.19 0.04 -0.08 -0.69 0.00 0.00 178.15 178.25 3gwp h GLU 196 N 1.05 0.75 -0.49 2.37 4.57 -1.99 -2.14 114.58 118.70 3gwp h GLU 196 Ca 0.33 -0.18 -0.13 0.00 -1.18 0.00 0.00 59.36 58.20 3gwp h GLU 196 Cb -0.02 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 28.46 3gwp h GLU 196 CO -0.11 0.74 -0.21 -0.44 -1.18 0.00 0.00 179.01 177.82 3gwp h ASP 197 N 0.71 1.03 -0.99 1.04 3.32 -1.78 -2.29 116.42 117.46 3gwp h ASP 197 Ca 0.15 -0.39 0.02 0.00 0.02 0.00 0.00 57.03 56.83 3gwp h ASP 197 Cb 0.38 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 39.59 3gwp h ASP 197 CO 0.01 1.19 0.65 0.40 -1.72 0.00 0.00 179.24 179.78 3gwp h ILE 198 N 0.87 1.22 -0.76 0.35 2.04 -0.98 -1.46 117.51 118.79 3gwp h ILE 198 Ca 0.11 -0.45 -0.05 0.00 1.00 0.00 0.00 64.86 65.48 3gwp h ILE 198 Cb 0.79 -0.20 -0.03 0.00 -0.74 0.00 0.00 36.82 36.63 3gwp h ILE 198 CO 0.07 0.24 0.29 0.50 0.00 0.00 0.00 178.15 179.25 3gwp h LYS 199 N 1.31 1.15 -0.50 2.37 3.64 -1.24 -0.81 116.57 122.48 3gwp h LYS 199 Ca 0.38 -0.22 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 3gwp h LYS 199 Cb -0.09 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.52 3gwp h LYS 199 CO -0.10 0.94 0.33 0.66 -2.27 0.00 0.00 179.45 179.02 3gwp h SER 200 N 1.11 0.55 0.01 4.20 4.64 -0.71 -0.57 113.55 122.78 3gwp h SER 200 Ca 0.25 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.31 3gwp h SER 200 Cb 0.23 -0.14 0.02 0.00 -0.31 0.00 0.00 62.40 62.21 3gwp h SER 200 CO -0.02 0.39 -1.00 0.40 -0.87 0.00 0.00 176.83 175.73 3gwp h ILE 201 N 0.65 1.30 0.22 0.95 2.04 -0.78 -2.86 117.51 119.03 3gwp h ILE 201 Ca 0.19 -2.24 -0.01 0.00 1.00 0.00 0.00 64.86 63.80 3gwp h ILE 201 Cb -0.03 2.44 0.00 0.00 -0.74 0.00 0.00 36.82 38.48 3gwp h ILE 201 CO -0.04 0.69 -0.11 0.58 0.00 0.00 0.00 178.15 179.27 3gwp h VAL 202 N 0.32 0.85 -0.65 1.67 2.07 -0.82 -2.12 116.25 117.57 3gwp h VAL 202 Ca -0.13 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 66.93 3gwp h VAL 202 Cb 1.66 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 32.53 3gwp h VAL 202 CO 0.20 0.11 0.43 0.44 0.02 0.00 0.00 177.57 178.76 3gwp h ASP 203 N -0.54 0.72 -0.52 0.57 3.32 -1.24 0.25 116.42 118.96 3gwp h ASP 203 Ca -0.03 -0.02 -0.04 0.00 0.02 0.00 0.00 57.03 56.97 3gwp h ASP 203 Cb 0.40 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3gwp h ASP 203 CO 0.05 0.51 0.19 0.00 -1.72 0.00 0.00 179.24 178.27 3gwp h VAL 205 N 0.71 1.24 0.00 0.00 -1.51 -0.88 -3.33 116.25 112.47 3gwp h VAL 205 Ca 0.17 -2.83 -0.09 0.00 -1.23 0.00 0.00 66.70 62.72 3gwp h VAL 205 Cb 0.23 2.84 -0.01 0.00 -2.13 0.00 0.00 31.29 32.22 3gwp h VAL 205 CO -0.01 0.84 -0.43 0.50 -1.23 0.00 0.00 177.57 177.24 3gwp h LYS 206 N 0.08 0.00 -0.51 5.19 1.63 -0.57 -2.99 116.57 119.40 3gwp h LYS 206 Ca -0.23 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.46 3gwp h LYS 206 Cb 2.03 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 33.64 3gwp h LYS 206 CO 0.19 0.43 -0.12 -0.97 -3.45 0.00 0.00 179.45 175.53 3gwp h ASN 207 N 0.00 0.98 -0.19 4.20 -1.24 -1.55 -2.65 115.58 115.14 3gwp h ASN 207 Ca -0.00 -0.36 -0.06 0.00 0.71 0.00 0.00 56.30 56.58 3gwp h ASN 207 Cb 0.80 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.58 3gwp h ASN 207 CO 0.06 1.12 -0.12 0.40 -1.29 0.00 0.00 177.43 177.59 3gwp h ILE 208 N 0.84 1.32 -1.32 2.57 2.04 -1.65 -3.43 117.51 117.88 3gwp h ILE 208 Ca 0.13 -1.22 -0.07 0.00 1.00 0.00 0.00 64.86 64.70 3gwp h ILE 208 Cb 0.68 1.71 -0.24 0.00 -0.74 0.00 0.00 36.82 38.23 3gwp h ILE 208 CO 0.05 0.37 -0.45 -0.60 0.00 0.00 0.00 178.15 177.52 3gwp s ARG 209 N -4.48 0.49 0.55 2.37 3.52 -1.14 -5.05 118.95 115.21 3gwp s ARG 209 Ca -0.14 0.37 0.28 0.00 -0.13 0.00 0.00 55.73 56.12 3gwp s ARG 209 Cb 0.06 0.00 1.46 0.00 -1.56 0.00 0.00 34.95 34.92 3gwp s ARG 209 CO 0.76 -1.03 1.94 1.57 -0.81 0.00 0.00 175.30 177.73 3gwp h LYS 210 N 8.07 0.00 0.00 5.12 2.10 -1.72 -2.18 116.57 127.96 3gwp h LYS 210 Ca -0.05 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 3gwp h LYS 210 Cb 1.16 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.49 3gwp h LYS 210 CO 0.20 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.40 3gwp n ASP 211 N -4.10 0.32 -4.71 7.07 10.43 -1.26 -4.75 116.55 119.55 3gwp n ASP 211 Ca 0.11 0.58 -0.42 0.00 2.57 0.00 0.00 54.79 57.64 3gwp n ASP 211 Cb 0.71 -0.65 -0.03 0.00 1.84 0.00 0.00 41.12 42.99 3gwp n ASP 211 CO 0.00 0.00 0.00 -0.63 -1.07 0.00 0.00 177.20 175.50 3gwp s ILE 212 N -3.16 3.51 -0.25 0.53 1.01 -0.82 -4.94 121.20 117.08 3gwp s ILE 212 Ca 0.05 1.05 -0.20 0.00 0.00 0.00 0.00 60.65 61.56 3gwp s ILE 212 Cb 0.09 -3.68 -0.02 0.00 0.01 0.00 0.00 42.46 38.86 3gwp s ILE 212 CO 0.31 0.07 0.61 -0.63 0.00 0.00 0.00 174.94 175.30 3gwp s ILE 213 N 1.35 5.00 -0.61 2.92 1.01 -0.18 -4.90 121.20 125.80 3gwp s ILE 213 Ca 0.63 1.10 -0.22 0.00 0.00 0.00 0.00 60.65 62.17 3gwp s ILE 213 Cb -0.35 -3.92 0.07 0.00 0.01 0.00 0.00 42.46 38.28 3gwp s ILE 213 CO 0.29 0.04 0.87 0.00 0.00 0.00 0.00 174.94 176.14 3gwp s PHE 215 N 3.60 3.48 -0.20 0.00 5.36 0.01 -1.34 117.98 128.89 3gwp s PHE 215 Ca 0.20 0.62 0.01 0.00 -0.96 0.00 0.00 56.93 56.80 3gwp s PHE 215 Cb -0.18 -2.33 0.04 0.00 -0.34 0.00 0.00 43.02 40.22 3gwp s PHE 215 CO 0.11 0.28 -0.11 0.08 -1.46 0.00 0.00 175.22 174.11 3gwp s VAL 216 N 0.33 1.73 -0.64 3.12 1.01 -0.48 -0.71 120.40 124.76 3gwp s VAL 216 Ca 0.17 -1.08 -0.26 0.00 0.00 0.00 0.00 61.98 60.81 3gwp s VAL 216 Cb -0.13 -1.79 -0.03 0.00 0.00 0.00 0.00 36.38 34.43 3gwp s VAL 216 CO 0.04 0.17 1.91 -0.62 0.00 0.00 0.00 175.10 176.61 3gwp s ASP 217 N 1.35 5.19 -0.14 3.32 2.15 -0.68 -2.92 116.67 124.94 3gwp s ASP 217 Ca -0.02 0.25 0.05 0.00 0.43 0.00 0.00 52.55 53.27 3gwp s ASP 217 Cb -0.16 -2.53 0.36 0.00 -0.30 0.00 0.00 42.92 40.29 3gwp s ASP 217 CO -0.08 -2.47 1.17 -3.20 -0.17 0.00 0.00 175.17 170.42 3gwp n ASN 218 N 13.14 3.24 -4.77 -0.34 5.15 -0.34 -2.50 115.26 128.84 3gwp n ASN 218 Ca 0.24 -2.51 -0.41 0.00 -0.60 0.00 0.00 54.58 51.30 3gwp n ASN 218 Cb 0.52 -0.61 -0.01 0.00 -0.53 0.00 0.00 39.78 39.15 3gwp n ASN 218 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gwp n TYR 220 N 0.72 0.00 1.13 0.00 4.01 -1.26 -4.22 117.16 117.53 3gwp n TYR 220 Ca 0.01 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.85 3gwp n TYR 220 Cb 0.40 -0.54 0.34 0.00 -0.31 0.00 0.00 39.34 39.23 3gwp n TYR 220 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gwp n GLY 221 N -1.73 0.42 3.69 2.72 0.00 -1.09 -3.64 105.19 105.56 3gwp n GLY 221 Ca 0.00 -0.43 -0.42 0.00 0.00 0.00 0.00 46.02 45.16 3gwp n GLY 221 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gwp s GLU 222 N -1.74 4.31 -0.36 1.61 8.01 -1.26 -4.60 118.70 124.66 3gwp s GLU 222 Ca 0.32 1.87 -0.08 0.00 0.01 0.00 0.00 54.97 57.09 3gwp s GLU 222 Cb 0.17 -3.56 0.01 0.00 -4.31 0.00 0.00 34.13 26.44 3gwp s GLU 222 CO 0.25 -0.53 0.28 1.19 0.01 0.00 0.00 175.26 176.46 3gwp n PHE 223 N 5.29 -3.74 -0.63 1.61 3.72 -1.26 -4.84 117.46 117.61 3gwp n PHE 223 Ca 0.12 1.59 -0.24 0.00 -0.05 0.00 0.00 57.45 58.88 3gwp n PHE 223 Cb 0.44 -4.02 0.02 0.00 -0.94 0.00 0.00 39.48 34.99 3gwp n PHE 223 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3gwp n ASP 225 N 0.24 -2.91 0.25 4.37 -0.08 -1.26 -4.91 116.55 112.25 3gwp n ASP 225 Ca 0.05 0.06 0.11 0.00 -1.51 0.00 0.00 54.79 53.50 3gwp n ASP 225 Cb 0.22 -0.40 0.65 0.00 2.34 0.00 0.00 41.12 43.93 3gwp n ASP 225 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3gwp h THR 226 N -0.63 0.70 -1.85 5.18 1.35 -1.99 -3.44 112.91 112.24 3gwp h THR 226 Ca -0.26 -0.63 -0.44 0.00 -0.55 0.00 0.00 66.41 64.53 3gwp h THR 226 Cb 0.85 1.39 0.01 0.00 -1.73 0.00 0.00 68.15 68.67 3gwp h THR 226 CO 0.14 0.15 -0.27 -0.54 -0.25 0.00 0.00 175.52 174.75 3gwp s LYS 227 N -4.23 2.99 0.32 4.72 1.02 -1.26 -4.95 119.74 118.36 3gwp s LYS 227 Ca -0.03 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 54.99 3gwp s LYS 227 Cb 0.13 -2.75 -0.06 0.00 -0.52 0.00 0.00 37.83 34.63 3gwp s LYS 227 CO 0.61 -0.12 0.07 -1.21 -0.92 0.00 0.00 175.35 173.78 3gwp s GLU 228 N -4.30 1.63 0.44 1.68 0.41 -1.26 -4.85 118.70 112.44 3gwp s GLU 228 Ca 0.49 -1.91 0.11 0.00 -0.41 0.00 0.00 54.97 53.25 3gwp s GLU 228 Cb -0.10 -0.75 0.99 0.00 -1.78 0.00 0.00 34.13 32.50 3gwp s GLU 228 CO 0.33 -0.23 2.05 -1.35 -0.49 0.00 0.00 175.26 175.57 3gwp h PRO 229 N 2.14 0.40 0.00 0.39 0.11 -1.96 -1.74 132.00 131.34 3gwp h PRO 229 Ca -0.40 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 3gwp h PRO 229 Cb 1.25 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 3gwp h PRO 229 CO 0.67 0.26 -0.02 1.79 -0.21 0.00 0.00 178.00 180.50 3gwp h THR 230 N 0.41 0.06 0.00 -1.15 1.35 -1.84 -2.24 112.91 109.50 3gwp h THR 230 Ca 0.17 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3gwp h THR 230 Cb 0.17 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3gwp h THR 230 CO -0.04 0.02 -0.09 0.47 -0.25 0.00 0.00 175.52 175.63 3gwp n ASP 231 N -3.13 0.29 -1.38 5.36 8.00 -0.66 -3.75 116.55 121.29 3gwp n ASP 231 Ca -0.00 0.42 -0.10 0.00 0.71 0.00 0.00 54.79 55.81 3gwp n ASP 231 Cb 0.26 -0.45 0.13 0.00 -0.02 0.00 0.00 41.12 41.04 3gwp n ASP 231 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 3gwp n VAL 232 N -1.72 2.51 -1.06 2.53 0.24 -0.88 -4.97 118.33 114.98 3gwp n VAL 232 Ca 0.06 -3.45 0.00 0.00 -2.04 0.00 0.00 64.34 58.91 3gwp n VAL 232 Cb 0.37 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 32.09 3gwp n VAL 232 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gwp n GLY 233 N -0.96 0.43 3.74 7.63 0.00 -1.24 -4.65 105.19 110.14 3gwp n GLY 233 Ca 0.35 -1.00 -0.41 0.00 0.00 0.00 0.00 46.02 44.96 3gwp n GLY 233 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwp s ALA 234 N -2.00 3.35 -0.09 4.61 0.00 -0.97 -4.86 121.76 121.79 3gwp s ALA 234 Ca 0.00 0.75 0.15 0.00 0.00 0.00 0.00 51.96 52.86 3gwp s ALA 234 Cb 0.00 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.94 3gwp s ALA 234 CO 0.00 -0.12 1.47 -0.44 0.00 0.00 0.00 175.76 176.67 3gwp h ASP 235 N 4.96 0.00 -4.58 0.00 5.19 -1.56 -3.43 116.42 117.01 3gwp h ASP 235 Ca -0.44 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 55.98 3gwp h ASP 235 Cb 1.21 0.00 -0.20 0.00 0.18 0.00 0.00 39.33 40.52 3gwp h ASP 235 CO 0.71 0.52 0.37 -0.22 -3.12 0.00 0.00 179.24 177.50 3gwp s LEU 236 N -6.56 -0.51 0.11 1.55 2.96 -1.11 -2.05 118.68 113.06 3gwp s LEU 236 Ca 0.03 0.52 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 3gwp s LEU 236 Cb 0.08 2.21 -0.04 0.00 0.50 0.00 0.00 46.19 48.94 3gwp s LEU 236 CO 0.74 -0.50 0.03 0.27 -1.32 0.00 0.00 176.35 175.57 3gwp s ILE 237 N -1.33 0.14 0.06 6.68 -4.36 -0.56 -1.39 121.20 120.44 3gwp s ILE 237 Ca -0.06 -1.87 -0.09 0.00 -0.26 0.00 0.00 60.65 58.37 3gwp s ILE 237 Cb -0.00 -1.88 0.00 0.00 1.25 0.00 0.00 42.46 41.83 3gwp s ILE 237 CO 0.05 -0.63 0.20 0.00 0.24 0.00 0.00 174.94 174.79 3gwp s ALA 238 N -4.01 -0.33 -0.08 2.27 0.00 -1.15 -2.69 121.76 115.78 3gwp s ALA 238 Ca 0.19 -0.39 -0.32 0.00 0.00 0.00 0.00 51.96 51.44 3gwp s ALA 238 Cb 0.08 0.35 0.12 0.00 0.00 0.00 0.00 23.12 23.67 3gwp s ALA 238 CO -0.02 -0.42 1.14 0.20 0.00 0.00 0.00 175.76 176.66 3gwp s GLY 239 N -2.36 -0.35 -0.00 0.00 0.00 -1.02 -1.20 107.32 102.39 3gwp s GLY 239 Ca -0.02 1.11 -0.19 0.00 0.00 0.00 0.00 44.72 45.63 3gwp s GLY 239 CO -0.06 0.34 0.55 -0.45 0.00 0.00 0.00 173.10 173.48 3gwp s SER 240 N -2.51 6.94 0.36 1.64 0.15 -1.26 -0.80 113.70 118.21 3gwp s SER 240 Ca 0.10 1.11 0.27 0.00 0.70 0.00 0.00 55.95 58.13 3gwp s SER 240 Cb 0.00 -2.34 0.88 0.00 -1.71 0.00 0.00 66.02 62.85 3gwp s SER 240 CO -0.05 0.16 1.77 -0.07 1.20 0.00 0.00 173.24 176.25 3gwp h LEU 241 N 5.42 0.00 -3.92 3.45 3.38 -1.59 -3.43 115.31 118.63 3gwp h LEU 241 Ca -0.46 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.20 3gwp h LEU 241 Cb 1.20 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 3gwp h LEU 241 CO 0.68 0.00 0.13 2.30 0.09 0.00 0.00 178.44 181.64 3gwp n ILE 242 N -2.65 2.92 -0.26 1.22 -5.35 -1.26 -2.89 119.36 111.09 3gwp n ILE 242 Ca 0.03 -1.91 -0.04 0.00 -0.27 0.00 0.00 62.75 60.56 3gwp n ILE 242 Cb 0.37 -1.63 -0.02 0.00 -1.74 0.00 0.00 39.64 36.62 3gwp n ILE 242 CO 0.00 0.00 0.00 0.59 -1.76 0.00 0.00 176.55 175.38 3gwp n ASN 244 N 1.29 -0.55 0.29 7.28 4.13 -1.26 -2.97 115.26 123.46 3gwp n ASN 244 Ca 0.36 1.13 0.17 0.00 1.68 0.00 0.00 54.58 57.93 3gwp n ASN 244 Cb 0.65 -0.20 0.82 0.00 -1.54 0.00 0.00 39.78 39.51 3gwp n ASN 244 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 3gwp h ILE 245 N 0.00 0.15 0.00 2.41 2.10 -1.85 -2.23 117.51 118.09 3gwp h ILE 245 Ca 0.16 -0.43 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3gwp h ILE 245 Cb 0.32 1.37 0.00 0.00 -1.09 0.00 0.00 36.82 37.42 3gwp h ILE 245 CO -0.62 0.04 -0.00 0.61 -1.08 0.00 0.00 178.15 177.09 3gwp n GLY 246 N -0.38 -1.59 2.45 8.18 0.00 -1.14 -3.35 105.19 109.36 3gwp n GLY 246 Ca -0.01 -0.07 -0.19 0.00 0.00 0.00 0.00 46.02 45.75 3gwp n GLY 246 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 247 N 1.42 0.60 3.08 -0.02 0.00 -0.84 -1.83 105.19 107.60 3gwp n GLY 247 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3gwp n GLY 247 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 248 N -0.69 2.91 0.13 -0.02 0.00 -1.26 -4.79 105.19 101.47 3gwp n GLY 248 Ca -0.21 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.61 3gwp n GLY 248 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gwp n ILE 249 N -2.00 1.61 -1.62 -0.61 5.41 -0.76 -4.83 119.36 116.57 3gwp n ILE 249 Ca 0.00 -0.62 -0.49 0.00 1.00 0.00 0.00 62.75 62.64 3gwp n ILE 249 Cb 0.00 -1.52 -0.05 0.00 -0.71 0.00 0.00 39.64 37.35 3gwp n ILE 249 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3gwp n ALA 250 N -3.12 0.93 0.17 -1.39 0.00 -1.00 -4.87 120.51 111.23 3gwp n ALA 250 Ca -0.39 0.15 0.02 0.00 0.00 0.00 0.00 53.44 53.22 3gwp n ALA 250 Cb 1.02 -2.54 0.30 0.00 0.00 0.00 0.00 19.45 18.23 3gwp n ALA 250 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gwp h PRO 251 N 10.50 0.00 0.00 0.00 0.13 -1.90 -3.41 132.00 137.32 3gwp h PRO 251 Ca -0.42 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 64.76 3gwp h PRO 251 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 3gwp h PRO 251 CO 0.97 0.45 0.18 -2.37 -0.23 0.00 0.00 178.00 177.00 3gwp n THR 252 N -3.81 0.00 0.00 1.56 5.66 -1.26 -4.84 114.28 111.59 3gwp n THR 252 Ca -0.01 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 3gwp n THR 252 Cb 0.51 0.24 0.00 0.00 -1.55 0.00 0.00 70.33 69.52 3gwp n THR 252 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3gwp n GLY 253 N -0.22 -3.44 3.60 1.09 0.00 -1.15 -4.68 105.19 100.39 3gwp n GLY 253 Ca -0.01 -2.14 -0.10 0.00 0.00 0.00 0.00 46.02 43.77 3gwp n GLY 253 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gwp s GLY 254 N 0.00 0.74 0.12 -0.02 0.00 -1.12 -1.63 107.32 105.41 3gwp s GLY 254 Ca 0.00 -1.01 -0.01 0.00 0.00 0.00 0.00 44.72 43.70 3gwp s GLY 254 CO 0.00 -0.66 0.04 -2.52 0.00 0.00 0.00 173.10 169.96 3gwp s TYR 255 N -3.56 0.83 -0.13 1.90 1.13 0.02 -3.14 117.35 114.40 3gwp s TYR 255 Ca 0.23 -1.21 -0.12 0.00 -1.41 0.00 0.00 57.07 54.57 3gwp s TYR 255 Cb -0.01 -0.48 0.03 0.00 -1.10 0.00 0.00 41.96 40.40 3gwp s TYR 255 CO 0.12 -0.49 0.34 -0.51 -2.51 0.00 0.00 175.55 172.50 3gwp s LEU 256 N -3.04 0.66 -0.10 -3.49 1.43 -0.83 -2.43 118.68 110.88 3gwp s LEU 256 Ca 0.22 0.69 -0.06 0.00 -1.03 0.00 0.00 54.13 53.96 3gwp s LEU 256 Cb 0.07 1.17 0.04 0.00 0.03 0.00 0.00 46.19 47.51 3gwp s LEU 256 CO 0.00 -0.12 0.24 0.00 0.23 0.00 0.00 176.35 176.71 3gwp s ALA 257 N 0.24 -0.56 0.00 4.21 0.00 -1.10 0.03 121.76 124.58 3gwp s ALA 257 Ca -0.00 0.96 0.00 0.00 0.00 0.00 0.00 51.96 52.91 3gwp s ALA 257 Cb -0.03 -0.60 0.00 0.00 0.00 0.00 0.00 23.12 22.49 3gwp s ALA 257 CO -0.00 -0.19 0.00 0.41 0.00 0.00 0.00 175.76 175.98 3gwp n GLY 258 N 4.06 -0.63 3.78 0.00 0.00 -0.94 -1.49 105.19 109.97 3gwp n GLY 258 Ca -0.24 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.88 3gwp n GLY 258 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gwp s THR 259 N -3.47 3.32 0.37 2.61 -1.32 -0.87 -1.48 115.64 114.81 3gwp s THR 259 Ca 0.00 0.64 0.08 0.00 -1.21 0.00 0.00 61.69 61.20 3gwp s THR 259 Cb 0.00 -3.16 0.31 0.00 -1.51 0.00 0.00 72.50 68.13 3gwp s THR 259 CO 0.00 -0.36 1.94 0.50 -2.21 0.00 0.00 174.62 174.49 3gwp h LYS 260 N 0.22 0.67 -0.25 7.08 3.64 -1.89 -1.55 116.57 124.48 3gwp h LYS 260 Ca -0.47 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 3gwp h LYS 260 Cb 1.24 -0.15 -0.01 0.00 -0.41 0.00 0.00 32.23 32.91 3gwp h LYS 260 CO 0.55 0.44 -0.05 0.22 -2.27 0.00 0.00 179.45 178.34 3gwp h ASP 261 N 0.69 0.48 -0.48 4.20 3.58 -1.97 -1.95 116.42 120.97 3gwp h ASP 261 Ca 0.34 -0.36 -0.13 0.00 0.42 0.00 0.00 57.03 57.31 3gwp h ASP 261 Cb 0.43 -0.13 -0.01 0.00 1.72 0.00 0.00 39.33 41.34 3gwp h ASP 261 CO -0.12 0.72 -0.20 0.00 -2.88 0.00 0.00 179.24 176.75 3gwp h ILE 263 N 0.86 1.28 -0.29 0.00 1.08 -1.33 -1.90 117.51 117.20 3gwp h ILE 263 Ca 0.11 -1.54 -0.05 0.00 -0.39 0.00 0.00 64.86 62.99 3gwp h ILE 263 Cb 0.78 1.41 -0.01 0.00 -3.07 0.00 0.00 36.82 35.93 3gwp h ILE 263 CO 0.06 0.51 -0.03 -0.33 -0.69 0.00 0.00 178.15 177.68 3gwp h GLU 264 N 0.71 0.53 -0.37 2.37 5.08 -1.36 -1.73 114.58 119.81 3gwp h GLU 264 Ca 0.06 -0.18 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 3gwp h GLU 264 Cb 0.96 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 3gwp h GLU 264 CO 0.09 0.70 0.23 0.87 -1.00 0.00 0.00 179.01 179.90 3gwp h LYS 265 N 0.31 0.49 -0.14 2.33 1.57 -1.32 -2.43 116.57 117.38 3gwp h LYS 265 Ca 0.08 -0.03 -0.20 0.00 -1.87 0.00 0.00 60.65 58.62 3gwp h LYS 265 Cb 0.48 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.69 3gwp h LYS 265 CO 0.02 0.34 -0.72 1.15 -0.57 0.00 0.00 179.45 179.67 3gwp h THR 266 N 0.50 1.32 0.00 -0.16 2.02 -1.17 -3.22 112.91 112.20 3gwp h THR 266 Ca 0.13 -1.99 -0.03 0.00 0.77 0.00 0.00 66.41 65.29 3gwp h THR 266 Cb -0.03 1.97 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 3gwp h THR 266 CO -0.03 0.62 -0.16 0.77 0.37 0.00 0.00 175.52 177.10 3gwp h SER 267 N 0.45 0.00 0.87 4.18 4.64 -0.82 -2.21 113.55 120.66 3gwp h SER 267 Ca -0.03 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.23 3gwp h SER 267 Cb 1.31 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.40 3gwp h SER 267 CO 0.14 0.16 -0.25 1.88 -0.87 0.00 0.00 176.83 177.88 3gwp h TYR 268 N 0.00 0.00 0.01 4.77 0.05 -1.52 0.12 116.97 120.40 3gwp h TYR 268 Ca -0.00 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.78 3gwp h TYR 268 Cb 0.30 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.04 3gwp h TYR 268 CO 0.00 0.25 -0.01 -0.09 -1.05 0.00 0.00 178.16 177.27 3gwp h ARG 269 N 0.00 -0.02 -0.89 4.88 9.65 -1.52 -2.70 114.38 123.79 3gwp h ARG 269 Ca -0.00 0.00 0.15 0.00 -1.10 0.00 0.00 59.98 59.03 3gwp h ARG 269 Cb 0.75 0.00 -0.10 0.00 -1.39 0.00 0.00 29.97 29.24 3gwp h ARG 269 CO 0.03 0.77 0.48 1.25 2.80 0.00 0.00 179.97 185.30 3gwp h LEU 270 N -0.86 0.59 0.00 3.80 5.85 -1.26 -3.42 115.31 120.02 3gwp h LEU 270 Ca -0.00 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3gwp h LEU 270 Cb 0.79 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.82 3gwp h LEU 270 CO 0.00 0.24 0.00 0.41 -0.34 0.00 0.00 178.44 178.75 3gwp n THR 271 N -4.84 0.00 -3.75 1.05 -1.04 0.40 -5.10 114.28 100.99 3gwp n THR 271 Ca 0.18 0.00 -0.13 0.00 -2.04 0.00 0.00 64.05 62.07 3gwp n THR 271 Cb 0.46 0.00 -0.08 0.00 -1.82 0.00 0.00 70.33 68.89 3gwp n THR 271 CO 0.00 0.00 0.00 0.68 -0.64 0.00 0.00 175.07 175.11 3gwp s VAL 272 N 2.67 0.07 0.25 12.58 -7.23 -1.02 -4.89 120.40 122.84 3gwp s VAL 272 Ca 0.00 -0.55 -0.31 0.00 -1.81 0.00 0.00 61.98 59.31 3gwp s VAL 272 Cb 0.00 -0.75 -0.12 0.00 0.56 0.00 0.00 36.38 36.06 3gwp s VAL 272 CO 0.00 -0.30 1.57 -2.65 -0.31 0.00 0.00 175.10 173.40 3gwp n PRO 273 N 0.98 2.49 0.00 4.82 -0.02 -1.23 -1.92 135.00 140.11 3gwp n PRO 273 Ca -0.20 0.89 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 3gwp n PRO 273 Cb 0.57 -2.65 0.00 0.00 -0.02 0.00 0.00 33.50 31.41 3gwp n PRO 273 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3gwp n GLY 274 N 2.59 2.19 0.38 -1.23 0.00 -1.26 -4.83 105.19 103.03 3gwp n GLY 274 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 3gwp n GLY 274 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3gwp n ILE 275 N 0.00 1.41 0.00 -0.61 5.41 -1.01 -5.03 119.36 119.53 3gwp n ILE 275 Ca 0.00 0.22 0.00 0.00 1.00 0.00 0.00 62.75 63.97 3gwp n ILE 275 Cb 0.00 -2.11 0.00 0.00 -0.71 0.00 0.00 39.64 36.82 3gwp n ILE 275 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3gwp n GLY 276 N 2.07 3.65 0.17 7.39 0.00 -0.81 -2.01 105.19 115.65 3gwp n GLY 276 Ca -0.10 -0.07 0.15 0.00 0.00 0.00 0.00 46.02 46.01 3gwp n GLY 276 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 277 N 0.00 -0.68 0.30 -0.02 0.00 -1.26 -4.16 105.19 99.37 3gwp n GLY 277 Ca 0.00 -0.28 0.09 0.00 0.00 0.00 0.00 46.02 45.83 3gwp n GLY 277 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3gwp h GLU 278 N 0.82 0.16 -6.22 1.61 -0.00 -1.81 -3.43 114.58 105.71 3gwp h GLU 278 Ca 0.00 -0.01 -0.59 0.00 -0.00 0.00 0.00 59.36 58.76 3gwp h GLU 278 Cb 0.21 -0.04 -0.12 0.00 -0.00 0.00 0.00 28.75 28.80 3gwp h GLU 278 CO 0.00 0.11 -0.72 0.00 -0.00 0.00 0.00 179.01 178.40 3gwp n GLY 280 N -0.69 2.13 3.80 0.00 0.00 0.17 -4.99 105.19 105.62 3gwp n GLY 280 Ca -0.06 -0.38 -0.33 0.00 0.00 0.00 0.00 46.02 45.25 3gwp n GLY 280 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gwp s SER 281 N 0.00 6.26 0.00 1.61 1.04 -1.20 -4.80 113.70 116.61 3gwp s SER 281 Ca 0.00 1.86 0.16 0.00 0.48 0.00 0.00 55.95 58.44 3gwp s SER 281 Cb 0.00 -2.55 0.72 0.00 0.10 0.00 0.00 66.02 64.29 3gwp s SER 281 CO 0.00 -0.84 1.49 0.35 0.98 0.00 0.00 173.24 175.22 3gwp n THR 282 N -1.27 0.14 -1.21 2.02 -2.24 -1.26 -4.93 114.28 105.53 3gwp n THR 282 Ca 0.09 -0.19 -0.07 0.00 -2.27 0.00 0.00 64.05 61.60 3gwp n THR 282 Cb 0.53 0.07 -0.03 0.00 -2.10 0.00 0.00 70.33 68.80 3gwp n THR 282 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 3gwp n PHE 283 N -0.15 0.00 -2.14 4.78 3.72 -1.26 -2.40 117.46 120.01 3gwp n PHE 283 Ca 0.13 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.45 3gwp n PHE 283 Cb 0.19 -2.41 -0.00 0.00 -0.94 0.00 0.00 39.48 36.31 3gwp n PHE 283 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gwp n GLY 284 N 0.32 0.05 1.32 1.37 0.00 -1.26 -4.95 105.19 102.04 3gwp n GLY 284 Ca -0.07 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.43 3gwp n GLY 284 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3gwp n VAL 285 N -3.99 0.94 0.08 1.61 0.24 -1.01 -4.84 118.33 111.35 3gwp n VAL 285 Ca -0.09 -2.03 -0.13 0.00 -2.04 0.00 0.00 64.34 60.05 3gwp n VAL 285 Cb 0.57 0.52 -0.13 0.00 -1.47 0.00 0.00 33.84 33.32 3gwp n VAL 285 CO 0.00 0.00 0.00 1.62 -2.14 0.00 0.00 176.83 176.31 3gwp h VAL 286 N 4.69 1.47 -1.00 3.34 3.04 -1.93 -3.29 116.25 122.57 3gwp h VAL 286 Ca -0.12 -3.11 0.01 0.00 -1.01 0.00 0.00 66.70 62.47 3gwp h VAL 286 Cb 1.54 2.86 -0.05 0.00 -2.01 0.00 0.00 31.29 33.63 3gwp h VAL 286 CO 0.10 0.88 0.66 -0.09 -1.01 0.00 0.00 177.57 178.12 3gwp h ARG 287 N 0.05 1.31 -1.77 4.17 2.43 -1.90 -2.03 114.38 116.64 3gwp h ARG 287 Ca -0.12 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3gwp h ARG 287 Cb 1.92 -0.30 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 3gwp h ARG 287 CO 0.17 0.87 0.00 -1.13 -1.51 0.00 0.00 179.97 178.37 3gwp n SER 288 N -4.39 0.82 0.00 -3.80 3.41 -1.24 -0.39 113.62 108.03 3gwp n SER 288 Ca 0.12 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.14 3gwp n SER 288 Cb 0.01 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 63.82 3gwp n SER 288 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 3gwp n TYR 290 N 0.97 0.00 -0.11 7.33 4.01 -0.76 -0.98 117.16 127.62 3gwp n TYR 290 Ca 0.00 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 57.80 3gwp n TYR 290 Cb 0.13 0.00 0.39 0.00 -0.31 0.00 0.00 39.34 39.54 3gwp n TYR 290 CO 0.00 0.00 0.00 0.37 -0.46 0.00 0.00 176.86 176.77 3gwp h GLN 291 N 0.00 0.65 -0.49 -0.72 4.15 -0.99 -1.64 115.11 116.07 3gwp h GLN 291 Ca 0.00 -0.04 -0.11 0.00 0.77 0.00 0.00 58.65 59.27 3gwp h GLN 291 Cb 0.00 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 3gwp h GLN 291 CO 0.00 0.43 -0.12 0.78 -1.93 0.00 0.00 178.83 177.98 3gwp h GLY 292 N 0.67 1.03 1.46 2.39 0.00 -1.23 -2.33 103.07 105.06 3gwp h GLY 292 Ca 0.24 -0.86 -0.08 0.00 0.00 0.00 0.00 47.33 46.64 3gwp h GLY 292 CO -0.07 0.78 -0.11 -2.00 0.00 0.00 0.00 176.54 175.15 3gwp h LEU 293 N 0.81 0.63 -0.52 3.11 5.85 -1.38 0.55 115.31 124.36 3gwp h LEU 293 Ca 0.12 -0.17 -0.15 0.00 0.84 0.00 0.00 57.88 58.52 3gwp h LEU 293 Cb 0.69 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 3gwp h LEU 293 CO 0.05 0.77 -0.40 0.15 -0.34 0.00 0.00 178.44 178.67 3gwp h PHE 294 N 0.59 0.91 0.00 1.25 3.57 -1.20 -2.95 116.94 119.11 3gwp h PHE 294 Ca 0.11 -0.27 0.00 0.00 3.53 0.00 0.00 57.97 61.33 3gwp h PHE 294 Cb 0.54 -0.19 0.00 0.00 2.79 0.00 0.00 35.95 39.08 3gwp h PHE 294 CO 0.02 1.04 -0.33 1.28 -2.23 0.00 0.00 178.31 178.09 3gwp n LEU 295 N -4.04 0.45 -0.07 0.59 4.77 -0.89 -4.41 117.00 113.39 3gwp n LEU 295 Ca -0.02 0.26 -0.07 0.00 -0.03 0.00 0.00 56.01 56.16 3gwp n LEU 295 Cb 0.54 -0.31 -0.00 0.00 -2.33 0.00 0.00 43.42 41.31 3gwp n LEU 295 CO 0.47 0.01 0.75 0.00 -1.33 0.00 0.00 177.39 177.29 3gwp h ALA 296 N 2.82 0.07 -0.75 -1.18 0.00 -0.70 0.11 119.26 119.62 3gwp h ALA 296 Ca 0.00 0.11 0.07 0.00 0.00 0.00 0.00 54.91 55.09 3gwp h ALA 296 Cb 0.59 0.38 -0.05 0.00 0.00 0.00 0.00 17.79 18.71 3gwp h ALA 296 CO 0.00 -0.55 0.49 -1.35 0.00 0.00 0.00 179.25 177.84 3gwp h PRO 297 N -0.12 0.74 0.08 0.00 0.11 -1.77 0.52 132.00 131.56 3gwp h PRO 297 Ca 0.16 -0.04 -0.00 0.00 0.11 0.00 0.00 66.00 66.22 3gwp h PRO 297 Cb 0.36 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.30 3gwp h PRO 297 CO -0.37 0.49 -0.04 1.25 -0.21 0.00 0.00 178.00 179.11 3gwp h HIS 298 N 0.76 -0.10 -0.60 0.65 2.76 -1.72 -3.35 115.15 113.55 3gwp h HIS 298 Ca 0.33 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.50 3gwp h HIS 298 Cb 0.32 0.03 -0.03 0.00 1.55 0.00 0.00 27.41 29.28 3gwp h HIS 298 CO -0.00 0.33 0.39 0.82 -1.30 0.00 0.00 177.93 178.17 3gwp h ILE 299 N -0.96 1.16 0.00 6.26 1.08 -0.74 -2.83 117.51 121.48 3gwp h ILE 299 Ca -0.01 -0.30 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 3gwp h ILE 299 Cb 0.48 0.29 0.00 0.00 -3.07 0.00 0.00 36.82 34.52 3gwp h ILE 299 CO 0.02 0.15 0.00 -1.20 -0.69 0.00 0.00 178.15 176.43 3gwp n SER 300 N -4.44 0.00 0.00 1.72 7.64 0.17 -2.81 113.62 115.90 3gwp n SER 300 Ca 0.06 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.94 3gwp n SER 300 Cb 0.05 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.25 3gwp n SER 300 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3gwp n GLU 302 N 0.68 0.00 -0.23 1.43 -0.58 -1.07 -1.77 120.64 119.11 3gwp n GLU 302 Ca 0.00 0.00 -0.08 0.00 -0.42 0.00 0.00 57.16 56.66 3gwp n GLU 302 Cb 0.00 0.00 0.03 0.00 -0.57 0.00 0.00 31.44 30.90 3gwp n GLU 302 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3gwp h ALA 303 N 0.00 0.83 -0.24 0.62 0.00 -1.46 -1.21 119.26 117.80 3gwp h ALA 303 Ca 0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 3gwp h ALA 303 Cb 0.00 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 3gwp h ALA 303 CO 0.00 0.53 0.09 1.25 0.00 0.00 0.00 179.25 181.12 3gwp h LEU 304 N 0.92 0.33 -0.87 0.00 5.85 -1.64 -0.40 115.31 119.51 3gwp h LEU 304 Ca 0.20 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.81 3gwp h LEU 304 Cb 0.33 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3gwp h LEU 304 CO -0.00 0.42 0.53 0.11 -0.34 0.00 0.00 178.44 179.16 3gwp h LYS 305 N 0.22 0.93 -0.53 1.25 1.57 -1.81 0.50 116.57 118.71 3gwp h LYS 305 Ca 0.08 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 3gwp h LYS 305 Cb 0.20 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 3gwp h LYS 305 CO -0.01 0.62 0.14 0.78 -0.57 0.00 0.00 179.45 180.41 3gwp h GLY 306 N 0.96 0.86 1.44 3.86 0.00 -0.82 -1.07 103.07 108.30 3gwp h GLY 306 Ca 0.39 -0.49 -0.13 0.00 0.00 0.00 0.00 47.33 47.10 3gwp h GLY 306 CO -0.19 0.46 -0.35 0.00 0.00 0.00 0.00 176.54 176.46 3gwp h ALA 307 N 1.37 0.86 -0.41 3.60 0.00 0.09 -0.54 119.26 124.23 3gwp h ALA 307 Ca 0.17 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.54 3gwp h ALA 307 Cb 0.28 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3gwp h ALA 307 CO -0.00 0.64 -0.24 0.82 0.00 0.00 0.00 179.25 180.46 3gwp h ILE 308 N 0.53 1.28 -0.44 0.00 2.04 -0.52 -0.67 117.51 119.73 3gwp h ILE 308 Ca 0.06 -1.39 -0.04 0.00 1.00 0.00 0.00 64.86 64.48 3gwp h ILE 308 Cb 0.85 1.29 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 3gwp h ILE 308 CO 0.07 0.47 0.10 0.25 0.00 0.00 0.00 178.15 179.04 3gwp h LEU 309 N 0.70 0.67 -1.09 1.44 5.85 -1.16 -2.54 115.31 119.17 3gwp h LEU 309 Ca 0.09 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.58 3gwp h LEU 309 Cb 0.81 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 41.61 3gwp h LEU 309 CO 0.07 0.74 0.61 0.00 -0.34 0.00 0.00 178.44 179.52 3gwp h SER 311 N 1.23 0.32 -0.09 0.00 0.02 -0.95 -3.33 113.55 110.76 3gwp h SER 311 Ca 0.35 -0.30 -0.09 0.00 -0.84 0.00 0.00 61.79 60.91 3gwp h SER 311 Cb -0.11 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.35 3gwp h SER 311 CO -0.08 0.54 -0.31 -0.09 -1.14 0.00 0.00 176.83 175.75 3gwp h ARG 312 N 0.10 0.36 -1.14 3.45 9.65 -1.30 -2.84 114.38 122.65 3gwp h ARG 312 Ca 0.06 -0.27 0.00 0.00 -1.10 0.00 0.00 59.98 58.66 3gwp h ARG 312 Cb 0.37 0.05 0.00 0.00 -1.39 0.00 0.00 29.97 29.00 3gwp h ARG 312 CO 0.01 0.90 0.00 1.51 2.80 0.00 0.00 179.97 185.19 3gwp n ILE 313 N -4.43 0.06 0.00 1.20 3.06 -0.47 -1.69 119.36 117.09 3gwp n ILE 313 Ca -0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 3gwp n ILE 313 Cb 0.49 -0.35 0.00 0.00 0.54 0.00 0.00 39.64 40.32 3gwp n ILE 313 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 3gwp n GLU 315 N 0.74 0.00 0.16 9.51 2.13 -1.07 -1.32 120.64 130.78 3gwp n GLU 315 Ca 0.00 0.00 0.02 0.00 0.66 0.00 0.00 57.16 57.84 3gwp n GLU 315 Cb 0.04 0.00 0.37 0.00 0.27 0.00 0.00 31.44 32.12 3gwp n GLU 315 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3gwp h LEU 316 N 0.00 0.10 -1.21 4.31 3.38 -1.62 -2.32 115.31 117.96 3gwp h LEU 316 Ca 0.00 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3gwp h LEU 316 Cb 0.00 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3gwp h LEU 316 CO 0.00 0.39 -0.15 0.00 0.09 0.00 0.00 178.44 178.77 3gwp h ALA 317 N 1.62 1.02 0.00 1.53 0.00 -1.46 -3.47 119.26 118.51 3gwp h ALA 317 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.79 3gwp h ALA 317 Cb 0.55 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3gwp h ALA 317 CO 0.04 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.88 3gwp n GLY 318 N 0.12 1.13 3.27 0.00 0.00 -0.87 -5.13 105.19 103.71 3gwp n GLY 318 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 3gwp n GLY 318 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gwp s PHE 319 N -2.00 1.51 -0.19 1.61 0.08 -1.25 -5.02 117.98 112.71 3gwp s PHE 319 Ca 0.00 -0.57 -0.27 0.00 0.12 0.00 0.00 56.93 56.21 3gwp s PHE 319 Cb 0.00 -0.76 -0.00 0.00 -0.57 0.00 0.00 43.02 41.69 3gwp s PHE 319 CO 0.00 0.20 0.93 -1.83 -0.10 0.00 0.00 175.22 174.42 3gwp s GLU 320 N -2.98 4.28 0.52 0.44 -1.05 -1.22 -4.14 118.70 114.55 3gwp s GLU 320 Ca 0.13 1.18 0.02 0.00 -0.15 0.00 0.00 54.97 56.16 3gwp s GLU 320 Cb -0.03 -3.61 0.02 0.00 -0.44 0.00 0.00 34.13 30.07 3gwp s GLU 320 CO 0.04 -0.47 0.19 1.33 0.95 0.00 0.00 175.26 177.30 3gwp n VAL 321 N 5.01 0.00 -0.78 1.83 0.24 -1.26 -0.43 118.33 122.94 3gwp n VAL 321 Ca 0.08 -2.25 -0.33 0.00 -2.04 0.00 0.00 64.34 59.80 3gwp n VAL 321 Cb 0.48 0.23 0.13 0.00 -1.47 0.00 0.00 33.84 33.21 3gwp n VAL 321 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 3gwp n PRO 323 N -1.49 -0.68 -1.73 7.34 -0.02 -1.26 -5.01 135.00 132.15 3gwp n PRO 323 Ca -0.12 -0.17 -0.31 0.00 -2.02 0.00 0.00 63.50 60.89 3gwp n PRO 323 Cb 0.62 -1.70 0.05 0.00 -0.02 0.00 0.00 33.50 32.45 3gwp n PRO 323 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 3gwp s LYS 324 N -3.38 2.93 0.34 -0.52 3.01 -1.26 -4.82 119.74 116.05 3gwp s LYS 324 Ca 0.54 0.71 0.03 0.00 -1.01 0.00 0.00 55.97 56.25 3gwp s LYS 324 Cb -0.17 -2.01 0.65 0.00 -1.01 0.00 0.00 37.83 35.30 3gwp s LYS 324 CO 0.68 -1.04 1.97 0.10 0.51 0.00 0.00 175.35 177.57 3gwp h TYR 325 N -0.67 0.84 -0.95 3.18 -0.00 -1.85 -3.08 116.97 114.44 3gwp h TYR 325 Ca -0.45 0.02 -0.65 0.00 -0.00 0.00 0.00 58.73 57.66 3gwp h TYR 325 Cb 1.23 -0.28 -0.31 0.00 -0.00 0.00 0.00 36.73 37.37 3gwp h TYR 325 CO 0.57 0.48 0.57 -0.40 -0.00 0.00 0.00 178.16 179.37 3gwp n ASP 326 N -4.46 7.06 -4.44 0.10 5.75 -1.26 -4.95 116.55 114.34 3gwp n ASP 326 Ca 0.10 -3.78 -0.31 0.00 -0.01 0.00 0.00 54.79 50.79 3gwp n ASP 326 Cb 0.15 -0.86 -0.13 0.00 -1.03 0.00 0.00 41.12 39.25 3gwp n ASP 326 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3gwp s GLU 327 N -3.77 2.08 0.28 0.11 2.02 -1.17 -5.10 118.70 113.16 3gwp s GLU 327 Ca 0.62 -0.97 -0.29 0.00 0.02 0.00 0.00 54.97 54.35 3gwp s GLU 327 Cb 0.49 -2.18 -0.10 0.00 0.10 0.00 0.00 34.13 32.44 3gwp s GLU 327 CO 0.00 0.54 1.38 0.21 0.02 0.00 0.00 175.26 177.42 3gwp s LYS 328 N -1.34 4.30 0.00 1.61 2.47 -1.26 -4.95 119.74 120.57 3gwp s LYS 328 Ca 0.14 2.27 0.05 0.00 -1.56 0.00 0.00 55.97 56.87 3gwp s LYS 328 Cb -0.10 -3.09 -0.03 0.00 -1.46 0.00 0.00 37.83 33.14 3gwp s LYS 328 CO 0.04 -0.33 -0.14 1.03 0.16 0.00 0.00 175.35 176.11 3gwp s ARG 329 N -0.96 2.34 0.00 4.03 0.52 -1.26 -4.85 118.95 118.76 3gwp s ARG 329 Ca 0.55 -0.82 0.15 0.00 -0.52 0.00 0.00 55.73 55.09 3gwp s ARG 329 Cb -0.41 -2.33 0.12 0.00 0.52 0.00 0.00 34.95 32.86 3gwp s ARG 329 CO 0.47 0.58 0.99 0.45 0.02 0.00 0.00 175.30 177.82 3gwp n SER 330 N 1.81 2.29 -3.66 0.23 2.88 -1.26 -4.80 113.62 111.11 3gwp n SER 330 Ca -0.16 -1.64 -0.08 0.00 -1.33 0.00 0.00 58.87 55.66 3gwp n SER 330 Cb 0.52 -0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.96 3gwp n SER 330 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 3gwp s ASP 331 N -1.27 -0.35 0.00 -3.46 -4.77 -1.26 -3.84 116.67 101.72 3gwp s ASP 331 Ca 0.18 -0.31 0.29 0.00 -3.30 0.00 0.00 52.55 49.41 3gwp s ASP 331 Cb 0.13 0.60 1.36 0.00 -1.09 0.00 0.00 42.92 43.91 3gwp s ASP 331 CO 0.19 -1.05 1.92 2.30 0.70 0.00 0.00 175.17 179.24 3gwp n ILE 332 N -0.41 0.00 -2.46 2.11 -5.35 -1.24 -4.92 119.36 107.08 3gwp n ILE 332 Ca -0.09 -0.10 -0.40 0.00 -0.27 0.00 0.00 62.75 61.88 3gwp n ILE 332 Cb 0.61 -0.01 -0.04 0.00 -1.74 0.00 0.00 39.64 38.46 3gwp n ILE 332 CO 0.00 0.00 0.00 -0.63 -1.76 0.00 0.00 176.55 174.16 3gwp s ILE 333 N -2.18 3.50 -0.09 7.28 1.01 -1.26 -4.56 121.20 124.89 3gwp s ILE 333 Ca 0.37 1.47 0.00 0.00 0.00 0.00 0.00 60.65 62.50 3gwp s ILE 333 Cb 0.21 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.76 3gwp s ILE 333 CO 0.40 0.34 -0.08 -1.58 0.00 0.00 0.00 174.94 174.02 3gwp s GLN 334 N -1.28 1.40 0.06 2.79 2.00 -0.32 -4.63 119.66 119.69 3gwp s GLN 334 Ca 0.46 -0.24 0.03 0.00 -2.00 0.00 0.00 55.36 53.60 3gwp s GLN 334 Cb -0.32 -1.39 -0.04 0.00 0.80 0.00 0.00 33.01 32.06 3gwp s GLN 334 CO 0.41 -0.17 0.03 -1.54 -0.50 0.00 0.00 175.29 173.52 3gwp s SER 335 N 1.36 5.27 -0.14 6.67 1.04 -1.26 -0.52 113.70 126.12 3gwp s SER 335 Ca -0.02 -0.07 -0.03 0.00 0.48 0.00 0.00 55.95 56.31 3gwp s SER 335 Cb -0.14 -1.35 0.05 0.00 0.10 0.00 0.00 66.02 64.68 3gwp s SER 335 CO -0.04 0.20 0.05 -0.63 0.98 0.00 0.00 173.24 173.80 3gwp s ILE 336 N -1.29 0.23 -0.18 -1.02 1.01 -0.63 -4.57 121.20 114.76 3gwp s ILE 336 Ca 0.26 -0.17 -0.28 0.00 0.00 0.00 0.00 60.65 60.46 3gwp s ILE 336 Cb -0.12 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.67 3gwp s ILE 336 CO 0.18 -0.08 0.96 -1.59 0.00 0.00 0.00 174.94 174.42 3gwp s LYS 337 N 2.00 4.31 -0.19 2.79 0.00 0.43 -1.29 119.74 127.80 3gwp s LYS 337 Ca 0.02 1.26 0.12 0.00 0.00 0.00 0.00 55.97 57.37 3gwp s LYS 337 Cb -0.15 -3.59 -0.21 0.00 0.00 0.00 0.00 37.83 33.88 3gwp s LYS 337 CO -0.07 -0.45 -0.01 1.19 0.00 0.00 0.00 175.35 176.01 3gwp n PHE 338 N 5.62 0.00 -2.29 1.78 3.72 -1.07 -3.37 117.46 121.85 3gwp n PHE 338 Ca 0.09 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 57.29 3gwp n PHE 338 Cb 0.48 -0.90 -0.02 0.00 -0.94 0.00 0.00 39.48 38.10 3gwp n PHE 338 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3gwp n ASN 339 N -2.80 -5.62 -3.64 4.37 5.03 0.49 -4.97 115.26 108.12 3gwp n ASN 339 Ca -0.33 0.03 -0.10 0.00 0.87 0.00 0.00 54.58 55.05 3gwp n ASN 339 Cb 1.05 -4.68 -0.07 0.00 -1.02 0.00 0.00 39.78 35.07 3gwp n ASN 339 CO 0.00 0.00 0.00 -0.62 -1.83 0.00 0.00 177.26 174.81 3gwp s ASP 340 N -2.18 -0.70 0.05 6.41 2.15 -1.26 -5.02 116.67 116.11 3gwp s ASP 340 Ca 0.00 1.28 -0.19 0.00 0.43 0.00 0.00 52.55 54.07 3gwp s ASP 340 Cb 0.00 1.29 -0.15 0.00 -0.30 0.00 0.00 42.92 43.77 3gwp s ASP 340 CO 0.00 -0.21 1.31 0.50 -0.17 0.00 0.00 175.17 176.60 3gwp h LYS 341 N 5.31 0.46 -0.50 4.34 3.64 -1.94 -3.08 116.57 124.79 3gwp h LYS 341 Ca -0.29 -0.28 -0.02 0.00 -1.27 0.00 0.00 60.65 58.79 3gwp h LYS 341 Cb 1.18 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 33.01 3gwp h LYS 341 CO 0.10 0.88 0.23 -0.44 -2.27 0.00 0.00 179.45 177.95 3gwp h ASP 342 N 0.08 0.66 -0.77 4.20 5.19 -1.99 -1.93 116.42 121.86 3gwp h ASP 342 Ca 0.01 -0.14 -0.01 0.00 -0.62 0.00 0.00 57.03 56.28 3gwp h ASP 342 Cb 0.85 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 40.15 3gwp h ASP 342 CO 0.06 0.61 0.45 0.11 -3.12 0.00 0.00 179.24 177.35 3gwp h LYS 343 N 0.66 1.07 -0.02 3.56 1.57 -1.96 0.11 116.57 121.56 3gwp h LYS 343 Ca 0.17 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3gwp h LYS 343 Cb 0.13 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3gwp h LYS 343 CO -0.02 0.76 -0.00 1.25 -0.57 0.00 0.00 179.45 180.87 3gwp h LEU 344 N 1.08 0.04 0.10 2.94 5.85 -1.41 -1.87 115.31 122.04 3gwp h LEU 344 Ca 0.28 -0.36 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3gwp h LEU 344 Cb -0.01 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.01 3gwp h LEU 344 CO -0.05 0.39 -0.05 0.40 -0.34 0.00 0.00 178.44 178.79 3gwp h ILE 345 N -0.30 0.94 -0.65 4.05 1.08 -1.17 -2.62 117.51 118.84 3gwp h ILE 345 Ca 0.01 -0.14 0.10 0.00 -0.39 0.00 0.00 64.86 64.44 3gwp h ILE 345 Cb 0.37 1.02 -0.04 0.00 -3.07 0.00 0.00 36.82 35.10 3gwp h ILE 345 CO 0.00 0.03 0.43 -0.33 -0.69 0.00 0.00 178.15 177.60 3gwp h GLU 346 N -0.20 0.47 -0.03 2.37 4.39 -0.83 0.17 114.58 120.92 3gwp h GLU 346 Ca -0.01 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.65 3gwp h GLU 346 Cb 0.16 -0.11 -0.00 0.00 -0.10 0.00 0.00 28.75 28.70 3gwp h GLU 346 CO 0.02 0.31 0.00 0.35 -1.16 0.00 0.00 179.01 178.54 3gwp h PHE 347 N 0.49 0.06 -0.58 4.33 3.57 -1.08 -1.79 116.94 121.95 3gwp h PHE 347 Ca 0.30 -0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 3gwp h PHE 347 Cb 0.52 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3gwp h PHE 347 CO -0.00 0.35 -0.00 0.00 -2.23 0.00 0.00 178.31 176.43 3gwp h LYS 349 N 0.92 0.19 -0.45 0.00 1.63 -0.64 -0.94 116.57 117.29 3gwp h LYS 349 Ca 0.16 -0.01 -0.13 0.00 -0.85 0.00 0.00 60.65 59.83 3gwp h LYS 349 Cb 0.55 -0.04 -0.01 0.00 -0.60 0.00 0.00 32.23 32.13 3gwp h LYS 349 CO 0.03 0.13 -0.21 0.78 -3.45 0.00 0.00 179.45 176.73 3gwp h GLY 350 N 0.20 1.02 1.25 5.01 0.00 -0.97 -2.75 103.07 106.82 3gwp h GLY 350 Ca 0.36 -0.91 -0.04 0.00 0.00 0.00 0.00 47.33 46.74 3gwp h GLY 350 CO -0.50 0.83 0.25 -2.22 0.00 0.00 0.00 176.54 174.89 3gwp h ILE 351 N 0.78 1.23 -0.68 2.60 1.08 -0.64 -1.55 117.51 120.33 3gwp h ILE 351 Ca 0.10 -0.73 -0.04 0.00 -0.39 0.00 0.00 64.86 63.80 3gwp h ILE 351 Cb 0.78 0.47 -0.03 0.00 -3.07 0.00 0.00 36.82 34.97 3gwp h ILE 351 CO 0.06 0.29 0.26 -0.61 -0.69 0.00 0.00 178.15 177.47 3gwp h GLN 352 N 0.94 1.01 -0.25 2.37 5.75 -1.12 -2.43 115.11 121.37 3gwp h GLN 352 Ca 0.22 -0.17 -0.09 0.00 -0.15 0.00 0.00 58.65 58.46 3gwp h GLN 352 Cb 0.20 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.56 3gwp h GLN 352 CO -0.02 0.83 -0.22 1.15 -2.65 0.00 0.00 178.83 177.92 3gwp h THR 353 N 0.99 1.25 0.00 2.39 2.02 -1.10 -2.70 112.91 115.76 3gwp h THR 353 Ca 0.23 -1.19 0.00 0.00 0.77 0.00 0.00 66.41 66.22 3gwp h THR 353 Cb 0.20 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 67.92 3gwp h THR 353 CO -0.02 0.38 0.00 0.61 0.37 0.00 0.00 175.52 176.86 3gwp n GLY 354 N -0.46 -0.98 3.79 2.16 0.00 -0.64 -4.84 105.19 104.22 3gwp n GLY 354 Ca -0.00 -0.18 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 3gwp n GLY 354 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gwp s SER 355 N -1.93 7.30 0.18 1.61 0.01 -1.02 -4.68 113.70 115.17 3gwp s SER 355 Ca 0.44 1.66 -0.06 0.00 1.31 0.00 0.00 55.95 59.30 3gwp s SER 355 Cb 0.20 -2.51 0.07 0.00 0.21 0.00 0.00 66.02 63.99 3gwp s SER 355 CO 0.34 0.06 1.50 1.55 0.41 0.00 0.00 173.24 177.10 3gwp h PRO 356 N 3.67 0.69 -5.83 12.44 0.13 -1.89 -3.36 132.00 137.84 3gwp h PRO 356 Ca -0.47 -0.40 -0.65 0.00 -0.87 0.00 0.00 66.00 63.60 3gwp h PRO 356 Cb 1.20 0.03 -0.08 0.00 0.13 0.00 0.00 31.00 32.28 3gwp h PRO 356 CO 0.66 1.02 -0.52 0.42 -0.23 0.00 0.00 178.00 179.34 3gwp s ILE 357 N -4.15 5.16 -1.52 -3.56 -1.09 -1.23 -4.56 121.20 110.25 3gwp s ILE 357 Ca -0.09 -0.14 -0.12 0.00 -2.23 0.00 0.00 60.65 58.08 3gwp s ILE 357 Cb 0.11 -3.34 0.08 0.00 -1.58 0.00 0.00 42.46 37.73 3gwp s ILE 357 CO 0.85 0.43 0.85 0.47 -1.23 0.00 0.00 174.94 176.31 3gwp n ASP 358 N 1.37 -3.55 -0.02 3.58 9.92 -1.26 -4.33 116.55 122.26 3gwp n ASP 358 Ca -0.14 -0.85 -0.12 0.00 -0.53 0.00 0.00 54.79 53.14 3gwp n ASP 358 Cb 0.53 -3.60 -0.07 0.00 -0.64 0.00 0.00 41.12 37.34 3gwp n ASP 358 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3gwp h SER 359 N -1.92 0.13 -0.25 -2.24 4.64 -1.74 -3.06 113.55 109.12 3gwp h SER 359 Ca -0.59 -0.29 0.05 0.00 -0.47 0.00 0.00 61.79 60.49 3gwp h SER 359 Cb 1.38 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.42 3gwp h SER 359 CO 0.67 0.39 0.17 2.19 -0.87 0.00 0.00 176.83 179.38 3gwp h PHE 360 N -0.13 0.11 -3.24 4.77 -0.00 -1.90 -3.38 116.94 113.16 3gwp h PHE 360 Ca 0.02 0.00 -0.57 0.00 -0.00 0.00 0.00 57.97 57.43 3gwp h PHE 360 Cb 0.32 -0.04 0.10 0.00 -0.00 0.00 0.00 35.95 36.34 3gwp h PHE 360 CO 0.03 0.06 0.56 0.28 -0.00 0.00 0.00 178.31 179.24 3gwp n VAL 361 N -4.48 1.77 -2.20 0.88 0.31 -1.16 -4.95 118.33 108.49 3gwp n VAL 361 Ca 0.02 -0.44 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 3gwp n VAL 361 Cb 0.25 -1.60 -0.03 0.00 -0.91 0.00 0.00 33.84 31.55 3gwp n VAL 361 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 3gwp s SER 362 N -0.15 6.89 -0.74 4.52 1.04 -1.26 -4.93 113.70 119.07 3gwp s SER 362 Ca 0.58 2.55 0.04 0.00 0.48 0.00 0.00 55.95 59.59 3gwp s SER 362 Cb -0.57 -2.64 0.18 0.00 0.10 0.00 0.00 66.02 63.09 3gwp s SER 362 CO 0.59 -0.46 0.55 0.00 0.98 0.00 0.00 173.24 174.90 3gwp s GLU 364 N -1.40 1.57 0.11 0.00 2.02 -1.26 -4.63 118.70 115.10 3gwp s GLU 364 Ca 0.25 -1.71 -0.32 0.00 0.02 0.00 0.00 54.97 53.21 3gwp s GLU 364 Cb -0.06 -1.57 -0.12 0.00 0.10 0.00 0.00 34.13 32.48 3gwp s GLU 364 CO -0.15 0.29 1.77 -2.30 0.02 0.00 0.00 175.26 174.89 3gwp n PRO 365 N -0.52 2.55 -0.01 0.39 -0.02 -1.26 -4.79 135.00 131.34 3gwp n PRO 365 Ca -0.06 0.93 0.00 0.00 -2.02 0.00 0.00 63.50 62.35 3gwp n PRO 365 Cb 0.60 -2.78 0.00 0.00 -0.02 0.00 0.00 33.50 31.30 3gwp n PRO 365 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 3gwp n TRP 366 N 5.10 -0.85 -3.64 6.00 4.27 0.10 -4.92 117.44 123.50 3gwp n TRP 366 Ca 0.18 0.00 -0.11 0.00 -3.89 0.00 0.00 57.50 53.68 3gwp n TRP 366 Cb 0.34 0.00 -0.07 0.00 -1.36 0.00 0.00 31.31 30.22 3gwp n TRP 366 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 3gwp s ASP 367 N -1.00 -0.81 0.00 -0.67 2.15 -1.26 -4.08 116.67 111.00 3gwp s ASP 367 Ca 0.00 1.45 0.00 0.00 0.43 0.00 0.00 52.55 54.43 3gwp s ASP 367 Cb 0.00 1.42 0.00 0.00 -0.30 0.00 0.00 42.92 44.04 3gwp s ASP 367 CO 0.00 -0.24 0.00 -0.67 -0.17 0.00 0.00 175.17 174.09 3gwp n ASP 373 N 3.29 0.00 -3.63 -0.34 2.03 -1.26 -4.91 116.55 111.72 3gwp n ASP 373 Ca -0.16 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.03 3gwp n ASP 373 Cb 0.56 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.89 3gwp n ASP 373 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 3gwp s GLN 374 N 0.00 0.73 -0.01 -0.67 0.74 -1.26 -5.09 119.66 114.10 3gwp s GLN 374 Ca 0.00 0.91 -0.04 0.00 0.05 0.00 0.00 55.36 56.27 3gwp s GLN 374 Cb 0.00 0.34 0.00 0.00 1.10 0.00 0.00 33.01 34.45 3gwp s GLN 374 CO 0.00 -0.09 0.09 0.54 -0.55 0.00 0.00 175.29 175.28 3gwp s VAL 375 N 0.46 0.05 0.51 1.34 0.11 -1.26 -0.30 120.40 121.31 3gwp s VAL 375 Ca -0.00 -0.45 0.02 0.00 -2.93 0.00 0.00 61.98 58.62 3gwp s VAL 375 Cb -0.05 -0.29 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 3gwp s VAL 375 CO -0.03 -0.25 0.03 -0.51 -3.33 0.00 0.00 175.10 171.01 3gwp s ILE 376 N -0.81 1.25 -0.29 7.04 2.07 -0.86 0.03 121.20 129.64 3gwp s ILE 376 Ca -0.09 -1.97 0.04 0.00 -1.41 0.00 0.00 60.65 57.23 3gwp s ILE 376 Cb -0.05 -2.21 0.19 0.00 0.13 0.00 0.00 42.46 40.51 3gwp s ILE 376 CO 0.00 0.00 0.55 0.00 -1.91 0.00 0.00 174.94 173.59 3gwp s ALA 378 N -2.86 -2.12 -0.06 1.50 0.00 0.13 -1.84 121.76 116.52 3gwp s ALA 378 Ca 0.09 0.99 0.03 0.00 0.00 0.00 0.00 51.96 53.07 3gwp s ALA 378 Cb 0.02 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.76 3gwp s ALA 378 CO 0.05 -1.74 -0.14 0.00 0.00 0.00 0.00 175.76 173.92 3gwp s ALA 379 N 2.77 1.39 -0.45 0.00 0.00 -1.26 -2.22 121.76 121.99 3gwp s ALA 379 Ca 0.11 -0.54 0.04 0.00 0.00 0.00 0.00 51.96 51.57 3gwp s ALA 379 Cb -0.11 -0.55 0.25 0.00 0.00 0.00 0.00 23.12 22.71 3gwp s ALA 379 CO -0.26 0.18 0.98 0.41 0.00 0.00 0.00 175.76 177.07 3gwp n GLY 380 N 3.55 -0.45 3.60 0.00 0.00 -1.26 -4.85 105.19 105.77 3gwp n GLY 380 Ca -0.21 0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.95 3gwp n GLY 380 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gwp s ALA 381 N 0.54 3.09 0.09 4.61 0.00 -1.26 -3.51 121.76 125.31 3gwp s ALA 381 Ca 0.30 -1.89 -0.16 0.00 0.00 0.00 0.00 51.96 50.21 3gwp s ALA 381 Cb 0.22 -0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.83 3gwp s ALA 381 CO -0.20 0.15 1.39 0.74 0.00 0.00 0.00 175.76 177.84 3gwp h PHE 382 N 1.93 0.79 -3.39 0.00 0.04 -1.96 -3.41 116.94 110.94 3gwp h PHE 382 Ca -0.42 -0.25 -0.60 0.00 2.80 0.00 0.00 57.97 59.50 3gwp h PHE 382 Cb 1.25 -0.16 -0.12 0.00 2.20 0.00 0.00 35.95 39.12 3gwp h PHE 382 CO 0.73 0.99 -0.38 0.42 -0.60 0.00 0.00 178.31 179.47 3gwp s ILE 383 N -4.28 5.32 0.09 -0.55 -1.09 -1.26 -5.04 121.20 114.38 3gwp s ILE 383 Ca -0.13 0.42 -0.31 0.00 -2.23 0.00 0.00 60.65 58.41 3gwp s ILE 383 Cb 0.08 -3.59 -0.09 0.00 -1.58 0.00 0.00 42.46 37.28 3gwp s ILE 383 CO 0.82 0.36 1.74 -1.58 -1.23 0.00 0.00 174.94 175.05 3gwp s GLN 384 N 0.75 4.17 -0.70 2.79 0.74 -1.26 -2.71 119.66 123.44 3gwp s GLN 384 Ca 0.13 2.45 0.00 0.00 0.05 0.00 0.00 55.36 57.99 3gwp s GLN 384 Cb -0.13 -3.63 0.00 0.00 1.10 0.00 0.00 33.01 30.35 3gwp s GLN 384 CO 0.04 -0.79 0.00 0.41 -0.55 0.00 0.00 175.29 174.39 3gwp n GLY 385 N 4.12 0.84 3.63 2.59 0.00 -1.26 -4.97 105.19 110.14 3gwp n GLY 385 Ca 0.17 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.41 3gwp n GLY 385 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gwp s SER 386 N -2.56 6.69 0.00 1.61 1.04 -1.10 -4.89 113.70 114.49 3gwp s SER 386 Ca 0.00 1.13 0.29 0.00 0.48 0.00 0.00 55.95 57.85 3gwp s SER 386 Cb 0.00 -2.54 1.51 0.00 0.10 0.00 0.00 66.02 65.09 3gwp s SER 386 CO 0.00 -1.08 2.02 -1.54 0.98 0.00 0.00 173.24 173.63 3gwp n SER 387 N 7.58 0.00 0.17 7.02 3.41 -1.16 -3.01 113.62 127.63 3gwp n SER 387 Ca 0.14 -0.23 0.03 0.00 -0.26 0.00 0.00 58.87 58.55 3gwp n SER 387 Cb 0.47 -0.25 0.26 0.00 -0.26 0.00 0.00 64.21 64.43 3gwp n SER 387 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3gwp h ILE 388 N 0.00 1.13 -3.62 -1.33 2.10 -1.90 -3.12 117.51 110.77 3gwp h ILE 388 Ca 0.00 -1.78 -0.50 0.00 1.08 0.00 0.00 64.86 63.66 3gwp h ILE 388 Cb 0.24 2.02 -0.01 0.00 -1.09 0.00 0.00 36.82 37.98 3gwp h ILE 388 CO 0.00 0.47 0.06 -1.61 -1.08 0.00 0.00 178.15 175.99 3gwp s GLU 389 N -3.61 3.82 -0.19 2.19 2.02 -1.16 -0.86 118.70 120.90 3gwp s GLU 389 Ca -0.01 0.45 -0.36 0.00 0.02 0.00 0.00 54.97 55.07 3gwp s GLU 389 Cb 0.12 -2.45 -0.13 0.00 0.10 0.00 0.00 34.13 31.77 3gwp s GLU 389 CO 0.72 0.07 1.90 -0.11 0.02 0.00 0.00 175.26 177.86 3gwp n LEU 390 N -0.91 2.95 -4.04 1.80 7.94 -1.26 -4.05 117.00 119.43 3gwp n LEU 390 Ca 0.02 0.90 -0.10 0.00 -1.11 0.00 0.00 56.01 55.72 3gwp n LEU 390 Cb 0.54 -1.29 -0.06 0.00 0.53 0.00 0.00 43.42 43.14 3gwp n LEU 390 CO 0.46 -0.28 0.12 -0.94 -1.11 0.00 0.00 177.39 175.64 3gwp s SER 391 N 4.53 0.10 -0.22 1.96 1.04 -0.06 -4.53 113.70 116.53 3gwp s SER 391 Ca 0.97 -1.09 -0.27 0.00 0.48 0.00 0.00 55.95 56.04 3gwp s SER 391 Cb -0.82 0.57 0.10 0.00 0.10 0.00 0.00 66.02 65.97 3gwp s SER 391 CO 0.55 -1.13 0.86 0.00 0.98 0.00 0.00 173.24 174.50 3gwp s ALA 392 N -3.85 -1.87 0.02 5.32 0.00 -0.94 -1.88 121.76 118.56 3gwp s ALA 392 Ca 0.26 1.79 -0.10 0.00 0.00 0.00 0.00 51.96 53.91 3gwp s ALA 392 Cb 0.00 -1.00 0.01 0.00 0.00 0.00 0.00 23.12 22.13 3gwp s ALA 392 CO 0.11 -0.30 0.20 0.16 0.00 0.00 0.00 175.76 175.92 3gwp s ASP 393 N -0.17 0.00 -0.28 0.00 -4.77 -0.77 0.23 116.67 110.91 3gwp s ASP 393 Ca -0.01 -0.26 -0.16 0.00 -3.30 0.00 0.00 52.55 48.81 3gwp s ASP 393 Cb -0.03 0.27 0.11 0.00 -1.09 0.00 0.00 42.92 42.17 3gwp s ASP 393 CO 0.00 -0.49 0.82 0.00 0.70 0.00 0.00 175.17 176.20 3gwp s ALA 394 N -2.09 -2.06 0.14 2.11 0.00 -0.76 -1.56 121.76 117.53 3gwp s ALA 394 Ca -0.09 2.32 -0.30 0.00 0.00 0.00 0.00 51.96 53.89 3gwp s ALA 394 Cb -0.03 -1.55 -0.06 0.00 0.00 0.00 0.00 23.12 21.47 3gwp s ALA 394 CO -0.01 -0.36 0.94 -1.25 0.00 0.00 0.00 175.76 175.08 3gwp s PRO 395 N 1.47 4.72 -0.87 0.00 0.04 -1.26 -2.03 135.00 137.07 3gwp s PRO 395 Ca -0.09 1.43 -0.25 0.00 0.04 0.00 0.00 61.00 62.13 3gwp s PRO 395 Cb -0.04 -3.35 0.04 0.00 0.04 0.00 0.00 34.50 31.18 3gwp s PRO 395 CO -0.17 0.29 1.36 0.42 0.04 0.00 0.00 177.00 178.93 3gwp s ILE 396 N -0.27 3.82 -0.21 0.56 1.01 0.59 -4.59 121.20 122.10 3gwp s ILE 396 Ca 0.45 -0.16 -0.27 0.00 0.00 0.00 0.00 60.65 60.67 3gwp s ILE 396 Cb -0.24 -4.98 0.11 0.00 0.01 0.00 0.00 42.46 37.36 3gwp s ILE 396 CO 0.30 -1.89 0.96 0.00 0.00 0.00 0.00 174.94 174.30 3gwp s ARG 397 N 5.36 0.62 0.30 2.79 1.70 -1.26 -4.69 118.95 123.76 3gwp s ARG 397 Ca 0.40 0.43 -0.29 0.00 -0.47 0.00 0.00 55.73 55.81 3gwp s ARG 397 Cb -0.04 0.30 -0.13 0.00 -0.57 0.00 0.00 34.95 34.50 3gwp s ARG 397 CO 0.03 -0.14 1.15 -0.85 -1.08 0.00 0.00 175.30 174.42 3gwp n GLU 398 N 1.58 1.68 -0.21 3.89 0.28 -1.26 0.15 120.64 126.75 3gwp n GLU 398 Ca -0.12 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.47 3gwp n GLU 398 Cb 0.57 -2.07 0.08 0.00 1.43 0.00 0.00 31.44 31.44 3gwp n GLU 398 CO 0.00 0.00 0.00 -0.35 -0.16 0.00 0.00 177.13 176.62 3gwp n PRO 399 N 0.83 1.74 -3.00 3.44 -0.04 -1.26 -4.91 135.00 131.80 3gwp n PRO 399 Ca 0.08 -0.69 -0.07 0.00 -0.04 0.00 0.00 63.50 62.79 3gwp n PRO 399 Cb 0.33 -1.58 0.03 0.00 -0.04 0.00 0.00 33.50 32.24 3gwp n PRO 399 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3gwp n TYR 400 N 0.14 -2.47 -3.05 0.54 4.01 0.12 -0.38 117.16 116.07 3gwp n TYR 400 Ca 0.08 0.91 -0.39 0.00 -0.16 0.00 0.00 57.90 58.33 3gwp n TYR 400 Cb 0.52 -3.93 -0.05 0.00 -0.31 0.00 0.00 39.34 35.57 3gwp n TYR 400 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 3gwp s ILE 401 N -3.18 4.66 0.22 -0.72 1.01 -1.26 -2.61 121.20 119.32 3gwp s ILE 401 Ca 0.21 1.55 0.07 0.00 0.00 0.00 0.00 60.65 62.47 3gwp s ILE 401 Cb -0.03 -4.07 -0.04 0.00 0.01 0.00 0.00 42.46 38.34 3gwp s ILE 401 CO 0.68 0.44 0.16 0.00 0.00 0.00 0.00 174.94 176.22 3gwp s ALA 402 N -0.49 3.55 -0.26 9.38 0.00 -0.41 -4.36 121.76 129.17 3gwp s ALA 402 Ca 0.36 -1.37 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3gwp s ALA 402 Cb -0.21 -1.29 0.08 0.00 0.00 0.00 0.00 23.12 21.71 3gwp s ALA 402 CO 0.23 0.33 0.09 0.71 0.00 0.00 0.00 175.76 177.12 3gwp s TYR 403 N -2.01 1.00 -0.12 0.00 1.51 -0.60 -1.60 117.35 115.51 3gwp s TYR 403 Ca 0.32 -1.11 -0.07 0.00 -1.01 0.00 0.00 57.07 55.20 3gwp s TYR 403 Cb -0.08 -1.19 -0.04 0.00 -0.11 0.00 0.00 41.96 40.53 3gwp s TYR 403 CO 0.24 -0.75 0.12 -1.17 -1.11 0.00 0.00 175.55 172.88 3gwp s LEU 404 N 1.87 4.27 0.03 -1.29 0.20 0.33 -1.85 118.68 122.23 3gwp s LEU 404 Ca 0.06 0.41 -0.10 0.00 0.69 0.00 0.00 54.13 55.18 3gwp s LEU 404 Cb -0.17 -2.04 0.01 0.00 -0.43 0.00 0.00 46.19 43.56 3gwp s LEU 404 CO -0.22 0.38 0.20 -1.10 -0.29 0.00 0.00 176.35 175.33 3gwp s GLN 405 N -0.88 0.68 0.47 1.98 1.11 -0.79 -1.17 119.66 121.06 3gwp s GLN 405 Ca 0.14 -0.58 0.00 0.00 0.01 0.00 0.00 55.36 54.93 3gwp s GLN 405 Cb -0.12 0.28 0.00 0.00 -1.01 0.00 0.00 33.01 32.16 3gwp s GLN 405 CO 0.03 -0.19 0.00 0.41 0.01 0.00 0.00 175.29 175.55 3gwp n GLY 406 N 0.78 -2.31 0.00 3.09 0.00 -1.18 -0.88 105.19 104.69 3gwp n GLY 406 Ca -0.19 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.21 3gwp n GLY 406 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gwp n GLY 407 N -0.29 2.49 0.38 -0.02 0.00 -0.04 -4.33 105.19 103.37 3gwp n GLY 407 Ca 0.00 -0.47 0.14 0.00 0.00 0.00 0.00 46.02 45.69 3gwp n GLY 407 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3gwp h LEU 408 N 0.00 0.54 -8.34 0.99 3.38 -1.89 -3.13 115.31 106.85 3gwp h LEU 408 Ca 0.00 0.04 -0.42 0.00 0.09 0.00 0.00 57.88 57.58 3gwp h LEU 408 Cb 0.00 -0.07 -0.24 0.00 0.09 0.00 0.00 40.66 40.45 3gwp h LEU 408 CO 0.00 0.26 -0.79 0.42 0.09 0.00 0.00 178.44 178.42 3gwp s THR 409 N -5.56 1.08 0.38 0.22 -4.23 -1.26 -4.80 115.64 101.47 3gwp s THR 409 Ca -0.09 -1.09 0.06 0.00 -1.18 0.00 0.00 61.69 59.39 3gwp s THR 409 Cb 0.22 -1.00 0.23 0.00 1.34 0.00 0.00 72.50 73.29 3gwp s THR 409 CO 0.78 -0.09 1.99 0.15 -0.54 0.00 0.00 174.62 176.92 3gwp h PHE 410 N 4.72 0.55 -0.76 3.99 3.57 -1.79 -2.00 116.94 125.22 3gwp h PHE 410 Ca -0.39 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 3gwp h PHE 410 Cb 1.18 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.71 3gwp h PHE 410 CO 0.57 0.41 0.41 -0.44 -2.23 0.00 0.00 178.31 177.03 3gwp h ASP 411 N 0.57 0.95 -0.19 0.41 3.32 -1.96 0.28 116.42 119.80 3gwp h ASP 411 Ca 0.14 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.02 3gwp h ASP 411 Cb 0.07 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.37 3gwp h ASP 411 CO -0.02 0.77 -0.23 -0.74 -1.72 0.00 0.00 179.24 177.30 3gwp h HIS 412 N 1.07 0.60 -0.22 4.55 2.76 -1.79 -1.70 115.15 120.41 3gwp h HIS 412 Ca 0.27 -0.19 0.01 0.00 -2.20 0.00 0.00 60.37 58.26 3gwp h HIS 412 Cb 0.04 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 3gwp h HIS 412 CO 0.01 0.87 0.12 0.00 -1.30 0.00 0.00 177.93 177.64 3gwp h ALA 413 N 0.63 0.27 -0.30 5.26 0.00 -1.13 -1.98 119.26 122.01 3gwp h ALA 413 Ca 0.03 -0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.00 3gwp h ALA 413 Cb 0.79 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.46 3gwp h ALA 413 CO 0.06 -0.28 -0.12 -0.22 0.00 0.00 0.00 179.25 178.68 3gwp h LYS 414 N 0.26 -0.07 0.18 0.00 3.64 -0.43 -0.79 116.57 119.36 3gwp h LYS 414 Ca 0.09 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3gwp h LYS 414 Cb 0.00 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3gwp h LYS 414 CO -0.05 -0.05 -0.14 0.82 -2.27 0.00 0.00 179.45 177.77 3gwp h ILE 415 N -0.07 0.69 -0.85 2.00 2.04 -1.08 0.35 117.51 120.59 3gwp h ILE 415 Ca 0.15 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.05 3gwp h ILE 415 Cb 0.30 0.69 -0.05 0.00 -0.74 0.00 0.00 36.82 37.02 3gwp h ILE 415 CO -0.35 0.00 0.55 1.23 0.00 0.00 0.00 178.15 179.58 3gwp h GLY 416 N -0.33 1.25 1.48 5.37 0.00 -1.18 0.10 103.07 109.77 3gwp h GLY 416 Ca -0.01 -0.41 -0.10 0.00 0.00 0.00 0.00 47.33 46.81 3gwp h GLY 416 CO -0.01 0.34 -0.24 1.19 0.00 0.00 0.00 176.54 177.82 3gwp h ILE 417 N 1.05 1.27 -0.21 2.60 -0.00 -0.99 -2.23 117.51 119.00 3gwp h ILE 417 Ca 0.35 -1.30 -0.17 0.00 -0.00 0.00 0.00 64.86 63.74 3gwp h ILE 417 Cb 0.04 1.29 0.00 0.00 -0.00 0.00 0.00 36.82 38.16 3gwp h ILE 417 CO -0.13 0.42 -0.52 0.25 -0.00 0.00 0.00 178.15 178.17 3gwp h LEU 418 N 0.53 0.82 -0.77 2.19 5.85 -0.11 -2.82 115.31 121.00 3gwp h LEU 418 Ca 0.08 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.17 3gwp h LEU 418 Cb 0.69 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.45 3gwp h LEU 418 CO 0.05 1.24 0.25 0.40 -0.34 0.00 0.00 178.44 180.05 3gwp h ILE 419 N 0.44 1.26 -0.17 4.05 2.04 -0.77 -2.52 117.51 121.84 3gwp h ILE 419 Ca -0.01 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.94 3gwp h ILE 419 Cb 1.14 0.40 -0.01 0.00 -0.74 0.00 0.00 36.82 37.61 3gwp h ILE 419 CO 0.11 0.36 0.03 0.00 0.00 0.00 0.00 178.15 178.65 3gwp h ALA 420 N 1.14 0.23 0.00 1.87 0.00 -1.40 -2.94 119.26 118.16 3gwp h ALA 420 Ca 0.25 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3gwp h ALA 420 Cb 0.29 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3gwp h ALA 420 CO -0.01 -0.12 -0.22 1.25 0.00 0.00 0.00 179.25 180.15 3gwp h LEU 421 N 0.07 0.00 -1.08 0.00 5.85 -1.49 -2.56 115.31 116.10 3gwp h LEU 421 Ca 0.05 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3gwp h LEU 421 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3gwp h LEU 421 CO 0.00 0.22 0.00 0.28 -0.34 0.00 0.00 178.44 178.61 3gwp h SER 422 N 0.00 0.00 0.88 1.25 0.02 -1.26 -1.87 113.55 112.58 3gwp h SER 422 Ca -0.00 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.75 3gwp h SER 422 Cb 0.46 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.97 3gwp h SER 422 CO 0.03 0.00 -1.20 0.03 -1.14 0.00 0.00 176.83 174.55 3gwp h ARG 423 N 0.00 0.00 0.17 3.45 3.08 -1.49 -3.38 114.38 116.20 3gwp h ARG 423 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 3gwp h ARG 423 Cb 0.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 3gwp h ARG 423 CO 0.00 0.54 -0.08 0.82 -1.07 0.00 0.00 179.97 180.18 3gwp h ILE 424 N 0.00 0.81 0.00 2.04 5.03 -1.44 -3.50 117.51 120.45 3gwp h ILE 424 Ca -0.13 -1.12 0.00 0.00 -0.12 0.00 0.00 64.86 63.49 3gwp h ILE 424 Cb 1.69 1.37 0.00 0.00 -3.03 0.00 0.00 36.82 36.85 3gwp h ILE 424 CO 0.08 0.21 0.00 1.33 -0.68 0.00 0.00 178.15 179.09