#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a4x s ALA 5 N 0.00 -1.31 -0.14 3.14 0.00 -0.86 -4.98 121.76 117.60 1a4x s ALA 5 Ca 0.00 1.52 -0.23 0.00 0.00 0.00 0.00 51.96 53.25 1a4x s ALA 5 Cb 0.00 -0.89 -0.03 0.00 0.00 0.00 0.00 23.12 22.21 1a4x s ALA 5 CO 0.00 -0.25 0.73 0.08 0.00 0.00 0.00 175.76 176.31 1a4x s VAL 6 N 0.36 4.98 -0.09 0.00 1.01 -1.26 -0.86 120.40 124.54 1a4x s VAL 6 Ca -0.01 1.44 0.13 0.00 0.00 0.00 0.00 61.98 63.54 1a4x s VAL 6 Cb -0.04 -4.05 -0.19 0.00 0.00 0.00 0.00 36.38 32.10 1a4x s VAL 6 CO -0.00 0.13 0.15 2.30 0.00 0.00 0.00 175.10 177.68 1a4x n ILE 7 N 4.39 0.57 -4.08 2.22 -5.35 0.06 -4.96 119.36 112.21 1a4x n ILE 7 Ca 0.01 -0.48 -0.17 0.00 -0.27 0.00 0.00 62.75 61.84 1a4x n ILE 7 Cb 0.50 -0.33 -0.15 0.00 -1.74 0.00 0.00 39.64 37.92 1a4x n ILE 7 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1a4x s LEU 8 N -4.61 1.65 0.00 7.28 1.02 -1.11 -4.98 118.68 117.92 1a4x s LEU 8 Ca -0.06 -0.08 0.03 0.00 0.02 0.00 0.00 54.13 54.04 1a4x s LEU 8 Cb 0.06 -0.27 0.03 0.00 0.02 0.00 0.00 46.19 46.03 1a4x s LEU 8 CO 0.57 -0.01 0.23 -0.90 0.02 0.00 0.00 176.35 176.27 1a4x n ASP 9 N 3.49 1.24 -0.29 2.29 5.75 -1.26 -1.16 116.55 126.61 1a4x n ASP 9 Ca -0.19 -1.66 0.01 0.00 -0.01 0.00 0.00 54.79 52.95 1a4x n ASP 9 Cb 0.55 -0.09 0.15 0.00 -1.03 0.00 0.00 41.12 40.69 1a4x n ASP 9 CO 0.00 0.00 0.00 -0.08 -0.11 0.00 0.00 177.20 177.01 1a4x h GLU 10 N 0.00 0.79 -0.52 0.11 4.81 -1.92 -1.52 114.58 116.34 1a4x h GLU 10 Ca -0.12 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 58.99 1a4x h GLU 10 Cb 0.48 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.66 1a4x h GLU 10 CO 0.18 0.53 0.05 0.37 -0.73 0.00 0.00 179.01 179.41 1a4x h GLN 11 N 0.82 0.89 -0.62 1.92 4.15 -1.95 -1.11 115.11 119.20 1a4x h GLN 11 Ca 0.37 -0.26 -0.03 0.00 0.77 0.00 0.00 58.65 59.51 1a4x h GLN 11 Cb 0.28 -0.09 -0.03 0.00 0.21 0.00 0.00 27.48 27.85 1a4x h GLN 11 CO -0.22 0.89 0.28 0.00 -1.93 0.00 0.00 178.83 177.85 1a4x h ALA 12 N 0.97 0.80 -0.66 3.38 0.00 -1.80 -0.84 119.26 121.10 1a4x h ALA 12 Ca 0.15 -0.15 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1a4x h ALA 12 Cb 0.45 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1a4x h ALA 12 CO 0.02 0.38 0.21 0.82 0.00 0.00 0.00 179.25 180.68 1a4x h ILE 13 N 0.86 1.25 -0.55 0.00 2.04 -1.14 -0.81 117.51 119.16 1a4x h ILE 13 Ca 0.21 -0.86 -0.11 0.00 1.00 0.00 0.00 64.86 65.10 1a4x h ILE 13 Cb 0.15 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 1a4x h ILE 13 CO -0.02 0.33 -0.10 -0.09 0.00 0.00 0.00 178.15 178.27 1a4x h ARG 14 N 0.96 1.03 -0.44 2.37 2.43 -0.89 -1.44 114.38 118.40 1a4x h ARG 14 Ca 0.21 -0.38 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 1a4x h ARG 14 Cb 0.29 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.76 1a4x h ARG 14 CO -0.01 1.07 -0.21 0.00 -1.51 0.00 0.00 179.97 179.31 1a4x h ARG 15 N 0.92 0.93 -0.47 0.20 3.08 -0.87 -0.65 114.38 117.52 1a4x h ARG 15 Ca 0.14 -0.40 -0.01 0.00 0.07 0.00 0.00 59.98 59.78 1a4x h ARG 15 Cb 0.67 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.67 1a4x h ARG 15 CO 0.05 1.06 0.26 0.00 -1.07 0.00 0.00 179.97 180.27 1a4x h ALA 16 N 0.84 0.60 -0.50 0.04 0.00 -1.00 -1.54 119.26 117.70 1a4x h ALA 16 Ca 0.10 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 1a4x h ALA 16 Cb 0.78 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1a4x h ALA 16 CO 0.06 0.12 0.06 -0.07 0.00 0.00 0.00 179.25 179.43 1a4x h LEU 17 N 0.62 0.82 -1.08 0.00 3.38 -1.15 -0.67 115.31 117.23 1a4x h LEU 17 Ca 0.17 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1a4x h LEU 17 Cb 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.54 1a4x h LEU 17 CO -0.03 0.88 0.42 0.74 0.09 0.00 0.00 178.44 180.55 1a4x h THR 18 N 0.72 1.23 -0.53 0.22 2.02 -0.93 -0.73 112.91 114.90 1a4x h THR 18 Ca 0.15 -0.56 -0.08 0.00 0.77 0.00 0.00 66.41 66.69 1a4x h THR 18 Cb 0.43 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.00 1a4x h THR 18 CO 0.01 0.25 0.03 -0.09 0.37 0.00 0.00 175.52 176.09 1a4x h ARG 19 N 1.07 0.92 -0.39 6.66 2.43 -0.77 -2.14 114.38 122.16 1a4x h ARG 19 Ca 0.27 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1a4x h ARG 19 Cb 0.02 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1a4x h ARG 19 CO -0.04 0.93 0.04 0.82 -1.51 0.00 0.00 179.97 180.21 1a4x h ILE 20 N 0.80 1.25 -0.31 1.20 2.04 -0.76 -1.21 117.51 120.52 1a4x h ILE 20 Ca 0.16 -0.91 0.02 0.00 1.00 0.00 0.00 64.86 65.13 1a4x h ILE 20 Cb 0.49 1.08 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 1a4x h ILE 20 CO 0.02 0.31 0.15 0.00 0.00 0.00 0.00 178.15 178.63 1a4x h ALA 21 N 0.91 0.38 -0.24 1.87 0.00 -1.04 0.16 119.26 121.30 1a4x h ALA 21 Ca 0.12 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 1a4x h ALA 21 Cb 0.40 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 1a4x h ALA 21 CO 0.01 -0.23 0.13 0.45 0.00 0.00 0.00 179.25 179.61 1a4x h HIS 22 N 0.32 0.33 -0.93 0.00 3.86 -1.27 -1.67 115.15 115.79 1a4x h HIS 22 Ca 0.13 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.33 1a4x h HIS 22 Cb 0.04 -0.10 -0.05 0.00 1.06 0.00 0.00 27.41 28.36 1a4x h HIS 22 CO -0.10 0.29 0.57 0.93 0.86 0.00 0.00 177.93 180.48 1a4x h GLU 23 N 0.27 1.27 -0.54 2.45 5.08 -0.86 0.17 114.58 122.42 1a4x h GLU 23 Ca 0.08 -0.11 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1a4x h GLU 23 Cb 0.07 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.03 1a4x h GLU 23 CO -0.01 0.88 0.29 0.52 -1.00 0.00 0.00 179.01 179.69 1a4x h MET 24 N 1.29 0.76 -0.43 2.33 2.86 -0.55 -0.21 114.93 120.97 1a4x h MET 24 Ca 0.34 -0.09 -0.06 0.00 -2.06 0.00 0.00 59.70 57.82 1a4x h MET 24 Cb -0.06 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.44 1a4x h MET 24 CO -0.06 0.59 0.02 0.82 1.06 0.00 0.00 176.91 179.33 1a4x h ILE 25 N 0.72 1.26 -0.34 -1.22 2.04 -0.70 -1.75 117.51 117.52 1a4x h ILE 25 Ca 0.19 -1.00 -0.11 0.00 1.00 0.00 0.00 64.86 64.94 1a4x h ILE 25 Cb 0.06 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.17 1a4x h ILE 25 CO -0.03 0.34 -0.24 -0.33 0.00 0.00 0.00 178.15 177.89 1a4x h GLU 26 N 0.60 0.68 -0.00 2.37 5.08 -0.47 0.39 114.58 123.23 1a4x h GLU 26 Ca 0.13 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1a4x h GLU 26 Cb 0.46 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.68 1a4x h GLU 26 CO 0.02 0.86 -0.85 0.54 -1.00 0.00 0.00 179.01 178.58 1a4x n ARG 27 N -4.11 0.00 -1.94 2.33 1.74 -0.11 -4.42 116.66 110.16 1a4x n ARG 27 Ca -0.00 -0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.90 1a4x n ARG 27 Cb 0.43 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.42 1a4x n ARG 27 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1a4x n ASN 28 N -1.50 4.17 -3.95 0.55 4.13 -0.66 -5.00 115.26 113.00 1a4x n ASN 28 Ca 0.04 -3.57 -0.33 0.00 1.68 0.00 0.00 54.58 52.41 1a4x n ASN 28 Cb 0.33 -0.38 -0.00 0.00 -1.54 0.00 0.00 39.78 38.19 1a4x n ASN 28 CO 0.00 0.00 0.00 0.29 0.28 0.00 0.00 177.26 177.83 1a4x n LYS 29 N -0.73 -1.67 -1.11 3.52 5.02 -1.22 -0.64 118.16 121.33 1a4x n LYS 29 Ca 0.37 0.30 -0.04 0.00 -2.02 0.00 0.00 58.31 56.92 1a4x n LYS 29 Cb 0.92 -3.83 -0.02 0.00 -0.02 0.00 0.00 35.03 32.09 1a4x n LYS 29 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a4x n GLY 30 N -2.01 0.59 2.47 0.72 0.00 0.12 -3.08 105.19 104.01 1a4x n GLY 30 Ca -0.21 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.53 1a4x n GLY 30 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1a4x n MET 31 N -1.66 -1.02 -1.78 1.61 2.81 0.18 -4.90 117.12 112.35 1a4x n MET 31 Ca -0.04 0.66 -0.42 0.00 -1.81 0.00 0.00 57.70 56.09 1a4x n MET 31 Cb 0.28 -4.64 -0.03 0.00 -0.71 0.00 0.00 33.22 28.12 1a4x n MET 31 CO 0.00 0.00 0.00 -0.80 1.51 0.00 0.00 175.97 176.68 1a4x s ASN 32 N -2.48 6.51 -1.02 7.83 -0.87 -1.18 -1.85 114.94 121.88 1a4x s ASN 32 Ca 0.00 2.59 0.00 0.00 -1.57 0.00 0.00 52.86 53.88 1a4x s ASN 32 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1a4x s ASN 32 CO 0.00 -0.99 0.00 0.59 -2.57 0.00 0.00 177.10 174.13 1a4x n ASN 33 N 6.69 -4.14 -4.60 -1.22 3.02 -1.26 -4.99 115.26 108.76 1a4x n ASN 33 Ca 0.18 0.23 -0.34 0.00 -0.03 0.00 0.00 54.58 54.62 1a4x n ASN 33 Cb 0.41 -2.52 -0.11 0.00 -0.61 0.00 0.00 39.78 36.95 1a4x n ASN 33 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1a4x s ILE 35 N -0.64 3.25 -0.12 0.00 1.01 -0.24 -4.39 121.20 120.07 1a4x s ILE 35 Ca 0.10 -0.60 -0.15 0.00 0.00 0.00 0.00 60.65 60.00 1a4x s ILE 35 Cb -0.12 -2.37 -0.05 0.00 0.01 0.00 0.00 42.46 39.94 1a4x s ILE 35 CO 0.02 0.53 0.35 -0.76 0.00 0.00 0.00 174.94 175.08 1a4x s LEU 36 N 0.18 4.30 -0.17 2.97 1.43 -0.63 -0.74 118.68 126.03 1a4x s LEU 36 Ca -0.06 0.66 -0.01 0.00 -1.03 0.00 0.00 54.13 53.69 1a4x s LEU 36 Cb -0.15 -2.47 0.04 0.00 0.03 0.00 0.00 46.19 43.64 1a4x s LEU 36 CO 0.04 0.13 -0.04 -0.69 0.23 0.00 0.00 176.35 176.02 1a4x s VAL 37 N 0.16 1.06 0.34 -1.59 1.01 0.07 -0.23 120.40 121.21 1a4x s VAL 37 Ca 0.20 -0.62 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1a4x s VAL 37 Cb -0.14 -1.26 -0.10 0.00 0.00 0.00 0.00 36.38 34.88 1a4x s VAL 37 CO 0.07 0.10 0.85 -0.83 0.00 0.00 0.00 175.10 175.29 1a4x s GLY 38 N 1.65 2.51 0.01 4.51 0.00 -0.68 -0.52 107.32 114.80 1a4x s GLY 38 Ca 0.00 0.29 0.04 0.00 0.00 0.00 0.00 44.72 45.05 1a4x s GLY 38 CO -0.08 0.60 -0.13 -0.26 0.00 0.00 0.00 173.10 173.24 1a4x s ILE 39 N -1.87 0.99 0.23 0.90 -4.36 -0.64 -1.02 121.20 115.42 1a4x s ILE 39 Ca 0.53 -0.69 0.00 0.00 -0.26 0.00 0.00 60.65 60.24 1a4x s ILE 39 Cb -0.13 -0.86 0.00 0.00 1.25 0.00 0.00 42.46 42.72 1a4x s ILE 39 CO 0.18 0.16 0.00 0.29 0.24 0.00 0.00 174.94 175.81 1a4x n LYS 40 N 2.45 -1.43 -0.02 0.37 5.02 -1.23 -3.31 118.16 120.02 1a4x n LYS 40 Ca -0.15 1.14 -0.11 0.00 -2.02 0.00 0.00 58.31 57.16 1a4x n LYS 40 Cb 0.55 -1.51 -0.05 0.00 -0.02 0.00 0.00 35.03 34.01 1a4x n LYS 40 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1a4x h THR 41 N -0.21 0.17 0.00 -0.18 2.02 -1.90 -1.88 112.91 110.93 1a4x h THR 41 Ca -0.04 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.13 1a4x h THR 41 Cb 0.44 0.17 -0.00 0.00 -1.74 0.00 0.00 68.15 67.02 1a4x h THR 41 CO 0.01 0.00 -0.08 0.03 0.37 0.00 0.00 175.52 175.86 1a4x h ARG 42 N -0.44 0.00 -0.24 6.66 3.08 -1.97 -2.66 114.38 118.82 1a4x h ARG 42 Ca 0.09 0.00 -0.11 0.00 0.07 0.00 0.00 59.98 60.04 1a4x h ARG 42 Cb 0.60 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 1a4x h ARG 42 CO -0.42 0.08 -0.30 0.78 -1.07 0.00 0.00 179.97 179.04 1a4x h GLY 43 N 2.26 0.53 1.13 0.04 0.00 -1.38 0.10 103.07 105.76 1a4x h GLY 43 Ca -0.00 -0.47 -0.13 0.00 0.00 0.00 0.00 47.33 46.74 1a4x h GLY 43 CO 0.01 0.42 -0.20 -2.22 0.00 0.00 0.00 176.54 174.56 1a4x h ILE 44 N 0.43 1.27 -0.36 2.60 2.04 -1.01 -0.80 117.51 121.67 1a4x h ILE 44 Ca 0.05 -1.36 -0.16 0.00 1.00 0.00 0.00 64.86 64.39 1a4x h ILE 44 Cb 0.74 1.10 -0.01 0.00 -0.74 0.00 0.00 36.82 37.91 1a4x h ILE 44 CO 0.06 0.47 -0.40 1.88 0.00 0.00 0.00 178.15 180.16 1a4x h TYR 45 N 0.86 1.07 -0.56 1.37 0.05 -1.31 -2.17 116.97 116.28 1a4x h TYR 45 Ca 0.12 -0.32 -0.05 0.00 0.05 0.00 0.00 58.73 58.52 1a4x h TYR 45 Cb 0.77 -0.22 -0.02 0.00 1.01 0.00 0.00 36.73 38.27 1a4x h TYR 45 CO 0.05 1.14 0.16 -0.07 -1.05 0.00 0.00 178.16 178.38 1a4x h LEU 46 N 0.72 0.83 -1.00 3.88 3.38 -0.87 -0.43 115.31 121.83 1a4x h LEU 46 Ca 0.06 -0.22 0.04 0.00 0.09 0.00 0.00 57.88 57.85 1a4x h LEU 46 Cb 0.98 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 1a4x h LEU 46 CO 0.10 0.83 0.65 0.00 0.09 0.00 0.00 178.44 180.11 1a4x h ALA 47 N 1.03 1.34 -0.48 1.53 0.00 -0.94 0.22 119.26 121.96 1a4x h ALA 47 Ca 0.18 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1a4x h ALA 47 Cb 0.31 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1a4x h ALA 47 CO -0.00 0.52 -0.16 0.87 0.00 0.00 0.00 179.25 180.48 1a4x h LYS 48 N 1.24 0.95 -0.42 0.00 1.57 -1.06 0.03 116.57 118.88 1a4x h LYS 48 Ca 0.41 -0.38 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 1a4x h LYS 48 Cb 0.05 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 1a4x h LYS 48 CO -0.14 1.05 0.19 0.00 -0.57 0.00 0.00 179.45 179.98 1a4x h ARG 49 N 0.80 0.62 -0.57 3.15 3.08 -0.04 -1.56 114.38 119.86 1a4x h ARG 49 Ca 0.12 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.05 1a4x h ARG 49 Cb 0.72 -0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 1a4x h ARG 49 CO 0.06 0.55 0.28 -0.07 -1.07 0.00 0.00 179.97 179.72 1a4x h LEU 50 N 0.54 0.75 -0.92 3.04 3.38 -0.41 -0.32 115.31 121.38 1a4x h LEU 50 Ca 0.14 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1a4x h LEU 50 Cb 0.15 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.66 1a4x h LEU 50 CO -0.02 0.66 0.56 0.00 0.09 0.00 0.00 178.44 179.74 1a4x h ALA 51 N 1.11 1.17 -0.26 1.53 0.00 -0.85 0.32 119.26 122.28 1a4x h ALA 51 Ca 0.20 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1a4x h ALA 51 Cb 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1a4x h ALA 51 CO -0.03 0.61 0.11 1.49 0.00 0.00 0.00 179.25 181.43 1a4x h GLU 52 N 1.26 0.39 -0.60 0.00 4.81 -0.67 -0.57 114.58 119.19 1a4x h GLU 52 Ca 0.33 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.47 1a4x h GLU 52 Cb -0.07 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.21 1a4x h GLU 52 CO -0.06 0.42 0.28 0.00 -0.73 0.00 0.00 179.01 178.92 1a4x h ARG 53 N 0.28 0.87 -0.54 1.92 3.08 -0.62 -2.08 114.38 117.30 1a4x h ARG 53 Ca 0.09 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.91 1a4x h ARG 53 Cb 0.17 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.05 1a4x h ARG 53 CO -0.01 0.71 -0.03 0.82 -1.07 0.00 0.00 179.97 180.40 1a4x h ILE 54 N 0.83 1.26 -0.60 2.04 2.04 -0.85 -3.09 117.51 119.14 1a4x h ILE 54 Ca 0.21 -1.13 -0.10 0.00 1.00 0.00 0.00 64.86 64.83 1a4x h ILE 54 Cb 0.13 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 1a4x h ILE 54 CO -0.02 0.40 -0.03 -0.08 0.00 0.00 0.00 178.15 178.42 1a4x h GLU 55 N 0.86 1.07 0.00 2.37 4.81 -0.82 0.14 114.58 123.02 1a4x h GLU 55 Ca 0.15 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 59.03 1a4x h GLU 55 Cb 0.55 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.84 1a4x h GLU 55 CO 0.03 1.06 0.00 0.00 -0.73 0.00 0.00 179.01 179.37 1a4x n GLN 56 N -4.17 0.08 -0.10 1.92 10.64 -0.81 0.42 117.38 125.36 1a4x n GLN 56 Ca 0.03 0.22 -0.18 0.00 -1.83 0.00 0.00 57.00 55.23 1a4x n GLN 56 Cb 0.36 -1.50 -0.09 0.00 -0.86 0.00 0.00 30.24 28.16 1a4x n GLN 56 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.06 174.34 1a4x n ILE 57 N -1.41 1.16 0.12 -0.39 5.41 -0.92 -4.66 119.36 118.66 1a4x n ILE 57 Ca 0.05 -0.37 0.04 0.00 1.00 0.00 0.00 62.75 63.46 1a4x n ILE 57 Cb 0.14 -1.47 0.01 0.00 -0.71 0.00 0.00 39.64 37.62 1a4x n ILE 57 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1a4x h GLU 58 N -0.34 0.00 -0.28 0.38 4.39 -0.65 -3.47 114.58 114.60 1a4x h GLU 58 Ca -0.49 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.09 1a4x h GLU 58 Cb 1.59 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.20 1a4x h GLU 58 CO -0.19 0.32 -0.11 0.41 -1.16 0.00 0.00 179.01 178.28 1a4x n GLY 59 N 1.25 0.81 3.07 -3.84 0.00 0.17 -4.98 105.19 101.66 1a4x n GLY 59 Ca -0.01 -0.42 -0.23 0.00 0.00 0.00 0.00 46.02 45.35 1a4x n GLY 59 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1a4x s ASN 60 N -2.60 1.71 0.52 1.61 0.01 -1.24 -5.06 114.94 109.89 1a4x s ASN 60 Ca 0.00 -0.27 -0.20 0.00 -0.71 0.00 0.00 52.86 51.68 1a4x s ASN 60 Cb 0.00 -0.44 -0.07 0.00 0.41 0.00 0.00 41.25 41.15 1a4x s ASN 60 CO 0.00 0.12 1.10 -2.84 -1.51 0.00 0.00 177.10 173.97 1a4x s PRO 61 N 0.08 3.50 -0.14 -0.60 0.02 -1.26 -4.12 135.00 132.48 1a4x s PRO 61 Ca -0.03 1.53 -0.01 0.00 0.02 0.00 0.00 61.00 62.51 1a4x s PRO 61 Cb -0.10 -2.03 -0.02 0.00 0.02 0.00 0.00 34.50 32.37 1a4x s PRO 61 CO 0.01 -0.71 -0.10 0.08 -0.33 0.00 0.00 177.00 175.95 1a4x s VAL 62 N -1.84 3.30 0.16 3.83 1.01 -1.26 -5.01 120.40 120.59 1a4x s VAL 62 Ca 0.71 -0.57 -0.30 0.00 0.00 0.00 0.00 61.98 61.82 1a4x s VAL 62 Cb -0.21 -2.41 -0.08 0.00 0.00 0.00 0.00 36.38 33.68 1a4x s VAL 62 CO 0.25 0.52 1.31 -0.89 0.00 0.00 0.00 175.10 176.28 1a4x s THR 63 N 0.35 3.35 -0.08 3.92 2.01 -1.26 -4.93 115.64 118.99 1a4x s THR 63 Ca -0.09 1.06 0.04 0.00 0.31 0.00 0.00 61.69 63.01 1a4x s THR 63 Cb -0.15 -3.68 -0.01 0.00 0.01 0.00 0.00 72.50 68.67 1a4x s THR 63 CO 0.05 0.13 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.20 1a4x s VAL 64 N 0.44 2.29 0.47 3.82 1.01 -1.26 -1.60 120.40 125.56 1a4x s VAL 64 Ca 0.58 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1a4x s VAL 64 Cb -0.35 -1.87 -0.01 0.00 0.00 0.00 0.00 36.38 34.15 1a4x s VAL 64 CO 0.35 0.56 0.09 -0.83 0.00 0.00 0.00 175.10 175.28 1a4x s GLY 65 N 0.01 2.89 -0.02 4.51 0.00 0.67 -4.50 107.32 110.89 1a4x s GLY 65 Ca -0.08 -0.69 -0.26 0.00 0.00 0.00 0.00 44.72 43.68 1a4x s GLY 65 CO 0.05 -1.98 0.59 -1.83 0.00 0.00 0.00 173.10 169.93 1a4x s GLU 66 N -3.74 1.00 -0.13 2.90 -1.05 -0.57 -1.68 118.70 115.43 1a4x s GLU 66 Ca 0.13 0.07 -0.00 0.00 -0.15 0.00 0.00 54.97 55.02 1a4x s GLU 66 Cb 0.01 0.47 0.03 0.00 -0.44 0.00 0.00 34.13 34.19 1a4x s GLU 66 CO 0.09 -0.32 -0.07 0.42 0.95 0.00 0.00 175.26 176.33 1a4x s ILE 67 N -1.53 1.05 -0.31 1.83 1.01 -0.19 -1.14 121.20 121.91 1a4x s ILE 67 Ca -0.10 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.01 1a4x s ILE 67 Cb -0.01 -1.10 -0.02 0.00 0.01 0.00 0.00 42.46 41.34 1a4x s ILE 67 CO 0.06 0.31 0.45 -0.62 0.00 0.00 0.00 174.94 175.14 1a4x s ASP 68 N 1.69 6.29 0.07 3.58 2.15 -1.21 -3.49 116.67 125.75 1a4x s ASP 68 Ca 0.04 0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.19 1a4x s ASP 68 Cb -0.13 -2.24 -0.03 0.00 -0.30 0.00 0.00 42.92 40.22 1a4x s ASP 68 CO -0.08 -0.34 -0.15 -0.63 -0.17 0.00 0.00 175.17 173.80 1a4x s ILE 69 N 2.22 1.19 0.04 4.11 1.01 -1.26 -2.40 121.20 126.10 1a4x s ILE 69 Ca 0.17 -1.25 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1a4x s ILE 69 Cb -0.16 -1.11 -0.06 0.00 0.01 0.00 0.00 42.46 41.14 1a4x s ILE 69 CO 0.11 -0.14 1.27 0.42 0.00 0.00 0.00 174.94 176.61 1a4x s THR 70 N -1.14 3.88 0.79 2.92 -4.23 -0.86 -4.70 115.64 112.31 1a4x s THR 70 Ca -0.00 1.32 -0.10 0.00 -1.18 0.00 0.00 61.69 61.73 1a4x s THR 70 Cb -0.09 -3.84 0.10 0.00 1.34 0.00 0.00 72.50 70.00 1a4x s THR 70 CO 0.02 0.06 1.13 -0.22 -0.54 0.00 0.00 174.62 175.08 1a4x s LEU 71 N 1.55 2.71 0.16 4.79 2.96 -1.26 -3.73 118.68 125.86 1a4x s LEU 71 Ca 0.60 0.44 -0.32 0.00 -0.22 0.00 0.00 54.13 54.64 1a4x s LEU 71 Cb -0.30 -2.89 -0.17 0.00 0.50 0.00 0.00 46.19 43.33 1a4x s LEU 71 CO 0.27 -1.97 0.83 0.00 -1.32 0.00 0.00 176.35 174.17 1a4x n TYR 72 N -3.22 0.31 -0.69 5.38 -0.00 -1.26 -4.76 117.16 112.92 1a4x n TYR 72 Ca 0.10 0.91 -0.32 0.00 -0.00 0.00 0.00 57.90 58.59 1a4x n TYR 72 Cb 0.60 -2.08 -0.05 0.00 -0.00 0.00 0.00 39.34 37.81 1a4x n TYR 72 CO 0.00 0.00 0.00 -3.47 -0.00 0.00 0.00 176.86 173.39 1a4x n ASP 83 N 1.81 2.18 -0.08 9.48 -0.08 -1.26 -5.02 116.55 123.59 1a4x n ASP 83 Ca 0.17 -2.44 0.15 0.00 -1.51 0.00 0.00 54.79 51.16 1a4x n ASP 83 Cb 0.22 -0.84 0.55 0.00 2.34 0.00 0.00 41.12 43.39 1a4x n ASP 83 CO 0.00 0.00 0.00 -0.08 0.12 0.00 0.00 177.20 177.24 1a4x h GLU 84 N 8.13 0.29 -6.36 -0.67 4.81 -1.99 -3.45 114.58 115.33 1a4x h GLU 84 Ca 0.32 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.89 1a4x h GLU 84 Cb 0.45 -0.06 0.06 0.00 0.63 0.00 0.00 28.75 29.83 1a4x h GLU 84 CO 1.71 0.19 0.48 -0.35 -0.73 0.00 0.00 179.01 180.31 1a4x n PRO 85 N -4.45 1.42 -5.05 0.92 -0.04 -1.26 -4.96 135.00 121.58 1a4x n PRO 85 Ca 0.11 0.51 -0.28 0.00 -0.04 0.00 0.00 63.50 63.79 1a4x n PRO 85 Cb 0.47 -2.14 -0.16 0.00 -0.04 0.00 0.00 33.50 31.63 1a4x n PRO 85 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1a4x s LEU 86 N 0.57 2.00 -0.58 1.53 1.43 -1.24 -4.88 118.68 117.51 1a4x s LEU 86 Ca 0.79 -0.42 -0.28 0.00 -1.03 0.00 0.00 54.13 53.19 1a4x s LEU 86 Cb -0.85 -1.15 0.03 0.00 0.03 0.00 0.00 46.19 44.25 1a4x s LEU 86 CO 0.47 0.22 1.26 -0.69 0.23 0.00 0.00 176.35 177.83 1a4x s VAL 87 N -0.18 3.94 -0.53 -1.59 1.01 -1.26 -2.02 120.40 119.77 1a4x s VAL 87 Ca -0.01 0.83 0.24 0.00 0.00 0.00 0.00 61.98 63.04 1a4x s VAL 87 Cb -0.11 -4.65 0.19 0.00 0.00 0.00 0.00 36.38 31.81 1a4x s VAL 87 CO 0.02 -1.30 1.49 0.11 0.00 0.00 0.00 175.10 175.41 1a4x h LYS 88 N 9.98 0.00 0.00 2.72 1.57 -1.86 -3.49 116.57 125.48 1a4x h LYS 88 Ca -0.26 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 1a4x h LYS 88 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 1a4x h LYS 88 CO 1.19 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.48 1a4x n GLY 89 N 1.23 -1.08 3.65 3.86 0.00 -1.24 -5.04 105.19 106.57 1a4x n GLY 89 Ca 0.04 -0.89 -0.05 0.00 0.00 0.00 0.00 46.02 45.11 1a4x n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4x s ALA 90 N -1.00 -1.77 -0.32 4.61 0.00 -1.26 -3.30 121.76 118.71 1a4x s ALA 90 Ca 0.00 0.54 0.06 0.00 0.00 0.00 0.00 51.96 52.56 1a4x s ALA 90 Cb 0.00 0.51 0.19 0.00 0.00 0.00 0.00 23.12 23.82 1a4x s ALA 90 CO 0.00 -0.90 0.56 0.34 0.00 0.00 0.00 175.76 175.76 1a4x s ASP 91 N -2.75 -1.13 -0.29 0.00 -1.08 -0.29 -5.00 116.67 106.13 1a4x s ASP 91 Ca 0.10 -0.25 0.03 0.00 -0.52 0.00 0.00 52.55 51.91 1a4x s ASP 91 Cb -0.01 1.79 0.08 0.00 -1.46 0.00 0.00 42.92 43.32 1a4x s ASP 91 CO -0.03 -0.27 -0.04 -0.63 0.52 0.00 0.00 175.17 174.72 1a4x s ILE 92 N 2.46 2.06 -1.11 4.11 1.01 -1.26 -1.51 121.20 126.95 1a4x s ILE 92 Ca 0.12 -1.81 0.00 0.00 0.00 0.00 0.00 60.65 58.96 1a4x s ILE 92 Cb -0.09 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.06 1a4x s ILE 92 CO -0.21 -0.26 0.65 -0.81 0.00 0.00 0.00 174.94 174.32 1a4x n PRO 93 N 4.42 0.00 -4.30 2.79 -0.04 -1.26 -4.67 135.00 131.94 1a4x n PRO 93 Ca -0.07 0.21 -0.16 0.00 -0.04 0.00 0.00 63.50 63.44 1a4x n PRO 93 Cb 0.42 -1.56 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 1a4x n PRO 93 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1a4x s VAL 94 N -2.31 0.82 -0.14 0.52 -7.23 -1.26 -5.10 120.40 105.70 1a4x s VAL 94 Ca 0.00 -2.01 -0.29 0.00 -1.81 0.00 0.00 61.98 57.88 1a4x s VAL 94 Cb 0.00 -2.34 -0.01 0.00 0.56 0.00 0.00 36.38 34.59 1a4x s VAL 94 CO 0.00 -0.30 0.98 -0.62 -0.31 0.00 0.00 175.10 174.85 1a4x s ASP 95 N -3.27 7.17 0.00 4.85 2.15 -1.26 -4.92 116.67 121.39 1a4x s ASP 95 Ca 0.29 1.44 0.19 0.00 0.43 0.00 0.00 52.55 54.90 1a4x s ASP 95 Cb 0.06 -2.53 0.59 0.00 -0.30 0.00 0.00 42.92 40.74 1a4x s ASP 95 CO 0.08 -0.47 1.46 2.30 -0.17 0.00 0.00 175.17 178.37 1a4x n ILE 96 N 4.69 0.35 -1.75 4.11 -5.35 -1.26 -4.88 119.36 115.27 1a4x n ILE 96 Ca 0.08 -0.47 -0.42 0.00 -0.27 0.00 0.00 62.75 61.67 1a4x n ILE 96 Cb 0.48 0.46 -0.03 0.00 -1.74 0.00 0.00 39.64 38.82 1a4x n ILE 96 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1a4x s THR 97 N -1.65 2.72 -1.41 7.28 2.01 -1.26 -1.74 115.64 121.59 1a4x s THR 97 Ca 0.32 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.45 1a4x s THR 97 Cb 0.18 -3.08 0.00 0.00 0.01 0.00 0.00 72.50 69.61 1a4x s THR 97 CO 0.25 -0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.65 1a4x n ASP 98 N 6.03 -4.60 -4.59 3.53 9.92 0.55 -4.90 116.55 122.50 1a4x n ASP 98 Ca 0.18 0.32 -0.28 0.00 -0.53 0.00 0.00 54.79 54.47 1a4x n ASP 98 Cb 0.39 -3.30 -0.09 0.00 -0.64 0.00 0.00 41.12 37.47 1a4x n ASP 98 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 1a4x s GLN 99 N -3.21 2.14 -0.04 -1.24 -1.52 -0.71 -4.46 119.66 110.63 1a4x s GLN 99 Ca 0.00 -1.12 -0.29 0.00 -1.95 0.00 0.00 55.36 52.01 1a4x s GLN 99 Cb 0.00 -2.27 -0.03 0.00 -0.22 0.00 0.00 33.01 30.50 1a4x s GLN 99 CO 0.00 0.48 0.94 0.15 -0.25 0.00 0.00 175.29 176.60 1a4x s LYS 100 N -2.52 4.50 0.03 2.91 1.02 -1.24 -1.50 119.74 122.94 1a4x s LYS 100 Ca 0.23 1.31 0.08 0.00 0.02 0.00 0.00 55.97 57.61 1a4x s LYS 100 Cb -0.10 -3.48 -0.03 0.00 -0.52 0.00 0.00 37.83 33.70 1a4x s LYS 100 CO 0.15 -0.09 -0.21 0.08 -0.92 0.00 0.00 175.35 174.35 1a4x s VAL 101 N 1.22 2.52 -0.17 3.17 1.01 0.08 -1.07 120.40 127.15 1a4x s VAL 101 Ca 0.49 -1.19 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1a4x s VAL 101 Cb -0.20 -2.01 0.04 0.00 0.00 0.00 0.00 36.38 34.21 1a4x s VAL 101 CO 0.24 0.40 -0.08 -0.63 0.00 0.00 0.00 175.10 175.03 1a4x s ILE 102 N -0.83 1.33 0.27 2.22 1.01 0.09 -0.63 121.20 124.66 1a4x s ILE 102 Ca 0.13 -0.75 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1a4x s ILE 102 Cb -0.10 -1.44 -0.09 0.00 0.01 0.00 0.00 42.46 40.83 1a4x s ILE 102 CO 0.03 0.18 1.03 -0.76 0.00 0.00 0.00 174.94 175.42 1a4x s LEU 103 N 1.54 4.56 -0.14 2.97 1.43 0.12 -0.75 118.68 128.40 1a4x s LEU 103 Ca 0.01 2.13 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1a4x s LEU 103 Cb -0.15 -3.67 0.01 0.00 0.03 0.00 0.00 46.19 42.41 1a4x s LEU 103 CO -0.08 -0.05 -0.21 -0.69 0.23 0.00 0.00 176.35 175.54 1a4x s VAL 104 N -1.21 2.03 0.08 -1.59 1.01 0.32 -0.55 120.40 120.50 1a4x s VAL 104 Ca 0.44 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.54 1a4x s VAL 104 Cb -0.29 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 1a4x s VAL 104 CO 0.36 0.54 -0.20 -0.62 0.00 0.00 0.00 175.10 175.19 1a4x s ASP 105 N 0.87 2.39 -0.11 3.32 2.15 -0.31 -1.63 116.67 123.35 1a4x s ASP 105 Ca -0.06 -0.63 -0.24 0.00 0.43 0.00 0.00 52.55 52.05 1a4x s ASP 105 Cb -0.15 -0.14 -0.21 0.00 -0.30 0.00 0.00 42.92 42.12 1a4x s ASP 105 CO -0.03 0.06 0.73 -2.24 -0.17 0.00 0.00 175.17 173.53 1a4x h ASP 106 N 4.31 -0.02 -3.21 -0.34 2.03 -1.86 -2.55 116.42 114.78 1a4x h ASP 106 Ca -0.44 -0.75 -0.52 0.00 -0.73 0.00 0.00 57.03 54.58 1a4x h ASP 106 Cb 1.18 0.00 -0.37 0.00 -0.83 0.00 0.00 39.33 39.31 1a4x h ASP 106 CO 0.41 0.82 -0.80 -0.69 -1.03 0.00 0.00 179.24 177.95 1a4x s VAL 107 N -2.47 0.98 -0.22 4.15 1.01 -1.26 -1.53 120.40 121.07 1a4x s VAL 107 Ca -0.16 -0.27 -0.20 0.00 0.00 0.00 0.00 61.98 61.35 1a4x s VAL 107 Cb -0.02 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.34 1a4x s VAL 107 CO 0.58 0.36 0.60 -0.22 0.00 0.00 0.00 175.10 176.41 1a4x s LEU 108 N 1.64 4.11 0.00 3.92 2.96 0.95 -4.96 118.68 127.30 1a4x s LEU 108 Ca 0.03 0.74 0.00 0.00 -0.22 0.00 0.00 54.13 54.68 1a4x s LEU 108 Cb -0.13 -2.83 0.00 0.00 0.50 0.00 0.00 46.19 43.74 1a4x s LEU 108 CO -0.07 -0.28 0.00 0.00 -1.32 0.00 0.00 176.35 174.68 1a4x n TYR 109 N 5.23 0.00 0.18 5.38 9.36 -1.26 -1.65 117.16 134.40 1a4x n TYR 109 Ca -0.02 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.24 1a4x n TYR 109 Cb 0.50 0.00 0.34 0.00 -0.63 0.00 0.00 39.34 39.55 1a4x n TYR 109 CO 0.00 0.00 0.00 1.79 0.22 0.00 0.00 176.86 178.87 1a4x h THR 110 N 0.00 1.05 0.00 2.97 1.35 -1.79 -3.11 112.91 113.37 1a4x h THR 110 Ca 0.00 -1.50 0.00 0.00 -0.55 0.00 0.00 66.41 64.36 1a4x h THR 110 Cb 0.00 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.29 1a4x h THR 110 CO 0.00 0.39 0.00 0.61 -0.25 0.00 0.00 175.52 176.27 1a4x n GLY 111 N -0.00 0.92 0.20 5.82 0.00 -1.26 -0.59 105.19 110.28 1a4x n GLY 111 Ca -0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.05 1a4x n GLY 111 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1a4x h ARG 112 N 3.73 0.00 -0.11 1.61 3.08 -1.96 -1.17 114.38 119.56 1a4x h ARG 112 Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 1a4x h ARG 112 Cb 0.00 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.06 1a4x h ARG 112 CO 0.00 0.32 -0.75 1.15 -1.07 0.00 0.00 179.97 179.62 1a4x h THR 113 N 0.00 1.31 -0.86 2.04 2.02 -1.94 -2.35 112.91 113.13 1a4x h THR 113 Ca -0.00 -1.99 0.00 0.00 0.77 0.00 0.00 66.41 65.19 1a4x h THR 113 Cb 0.59 2.14 -0.04 0.00 -1.74 0.00 0.00 68.15 69.10 1a4x h THR 113 CO 0.04 0.62 0.54 0.58 0.37 0.00 0.00 175.52 177.67 1a4x h VAL 114 N 0.38 1.23 -0.05 3.16 2.07 -1.89 0.25 116.25 121.39 1a4x h VAL 114 Ca -0.06 -0.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.98 1a4x h VAL 114 Cb 1.39 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1a4x h VAL 114 CO 0.15 0.23 0.01 -0.09 0.02 0.00 0.00 177.57 177.90 1a4x h ARG 115 N 1.18 0.08 -0.94 1.57 2.43 -1.19 0.29 114.38 117.79 1a4x h ARG 115 Ca 0.31 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.47 1a4x h ARG 115 Cb -0.08 -0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 29.41 1a4x h ARG 115 CO -0.06 0.27 0.62 0.00 -1.51 0.00 0.00 179.97 179.28 1a4x h ALA 116 N 0.80 1.19 -0.69 2.80 0.00 -0.89 -0.12 119.26 122.37 1a4x h ALA 116 Ca 0.02 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 1a4x h ALA 116 Cb 0.23 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1a4x h ALA 116 CO -0.00 0.60 0.14 0.78 0.00 0.00 0.00 179.25 180.77 1a4x h GLY 117 N 1.28 1.20 0.99 0.00 0.00 -0.24 -2.19 103.07 104.11 1a4x h GLY 117 Ca 0.34 -0.77 -0.04 0.00 0.00 0.00 0.00 47.33 46.86 1a4x h GLY 117 CO -0.07 0.72 0.18 1.98 0.00 0.00 0.00 176.54 179.34 1a4x h MET 118 N 1.05 0.87 -0.35 4.80 -1.53 0.03 -2.21 114.93 117.58 1a4x h MET 118 Ca 0.21 -0.19 0.01 0.00 -3.44 0.00 0.00 59.70 56.30 1a4x h MET 118 Cb 0.41 -0.13 -0.02 0.00 -0.55 0.00 0.00 31.60 31.31 1a4x h MET 118 CO 0.01 0.79 0.21 -0.44 0.14 0.00 0.00 176.91 177.62 1a4x h ASP 119 N 0.78 0.36 -0.05 1.39 3.32 -0.67 -1.72 116.42 119.82 1a4x h ASP 119 Ca 0.18 -0.00 0.03 0.00 0.02 0.00 0.00 57.03 57.26 1a4x h ASP 119 Cb 0.28 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 39.71 1a4x h ASP 119 CO -0.01 0.26 -0.13 0.00 -1.72 0.00 0.00 179.24 177.65 1a4x h ALA 120 N 1.14 -0.10 -0.74 3.45 0.00 -1.30 -2.64 119.26 119.07 1a4x h ALA 120 Ca 0.13 0.03 0.07 0.00 0.00 0.00 0.00 54.91 55.13 1a4x h ALA 120 Cb -0.02 0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.95 1a4x h ALA 120 CO -0.05 -0.60 0.43 -0.07 0.00 0.00 0.00 179.25 178.95 1a4x h LEU 121 N -0.19 0.64 0.00 0.00 3.38 -1.07 0.25 115.31 118.31 1a4x h LEU 121 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 1a4x h LEU 121 Cb 0.28 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1a4x h LEU 121 CO -0.17 0.40 0.00 0.52 0.09 0.00 0.00 178.44 179.28 1a4x n VAL 122 N -4.74 1.46 0.05 1.22 0.31 -0.68 -1.76 118.33 114.19 1a4x n VAL 122 Ca 0.10 0.37 0.01 0.00 -0.01 0.00 0.00 64.34 64.80 1a4x n VAL 122 Cb 0.20 -1.24 -0.00 0.00 -0.91 0.00 0.00 33.84 31.88 1a4x n VAL 122 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a4x n ASP 123 N -1.49 0.38 -0.05 4.52 8.00 0.21 -4.61 116.55 123.51 1a4x n ASP 123 Ca 0.02 -0.69 -0.17 0.00 0.71 0.00 0.00 54.79 54.66 1a4x n ASP 123 Cb 0.08 0.69 -0.14 0.00 -0.02 0.00 0.00 41.12 41.73 1a4x n ASP 123 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1a4x n VAL 124 N -0.68 1.63 -3.82 2.53 0.31 0.62 -5.02 118.33 113.89 1a4x n VAL 124 Ca 0.00 -0.68 -0.10 0.00 -0.01 0.00 0.00 64.34 63.56 1a4x n VAL 124 Cb 0.02 -1.40 0.00 0.00 -0.91 0.00 0.00 33.84 31.55 1a4x n VAL 124 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1a4x n GLY 125 N 1.97 1.66 2.79 2.92 0.00 -0.72 -4.93 105.19 108.89 1a4x n GLY 125 Ca -0.34 -1.39 -0.28 0.00 0.00 0.00 0.00 46.02 44.02 1a4x n GLY 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1a4x n ARG 126 N -0.47 1.63 -1.92 1.61 1.74 -1.26 -4.10 116.66 113.88 1a4x n ARG 126 Ca -0.04 -4.30 -0.35 0.00 -0.77 0.00 0.00 57.85 52.39 1a4x n ARG 126 Cb 0.50 -2.19 0.04 0.00 -1.02 0.00 0.00 32.46 29.80 1a4x n ARG 126 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1a4x s PRO 127 N -1.32 2.88 0.37 5.56 0.04 -1.22 -0.33 135.00 140.98 1a4x s PRO 127 Ca 0.27 1.70 0.10 0.00 0.04 0.00 0.00 61.00 63.11 1a4x s PRO 127 Cb -0.02 -1.93 0.72 0.00 0.04 0.00 0.00 34.50 33.31 1a4x s PRO 127 CO -0.17 -1.25 1.86 0.66 0.04 0.00 0.00 177.00 178.15 1a4x h SER 128 N 0.61 0.17 -4.74 6.66 4.64 -1.48 -3.43 113.55 115.98 1a4x h SER 128 Ca -0.49 -0.04 0.06 0.00 -0.47 0.00 0.00 61.79 60.84 1a4x h SER 128 Cb 1.28 -0.04 -0.15 0.00 -0.31 0.00 0.00 62.40 63.18 1a4x h SER 128 CO 0.54 0.42 0.39 -0.94 -0.87 0.00 0.00 176.83 176.37 1a4x s SER 129 N -6.90 -0.44 -0.06 4.97 1.04 -1.25 -5.02 113.70 106.04 1a4x s SER 129 Ca -0.05 0.06 0.03 0.00 0.48 0.00 0.00 55.95 56.47 1a4x s SER 129 Cb 0.15 0.45 0.01 0.00 0.10 0.00 0.00 66.02 66.73 1a4x s SER 129 CO 0.74 -0.71 -0.13 -0.63 0.98 0.00 0.00 173.24 173.49 1a4x s ILE 130 N -3.10 1.15 0.45 -1.02 1.01 -1.25 -0.74 121.20 117.70 1a4x s ILE 130 Ca 0.02 -0.51 0.05 0.00 0.00 0.00 0.00 60.65 60.22 1a4x s ILE 130 Cb -0.01 -1.04 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 1a4x s ILE 130 CO -0.09 0.35 0.08 -1.10 0.00 0.00 0.00 174.94 174.18 1a4x s GLN 131 N 0.48 2.11 -0.06 2.79 -0.21 0.20 -4.99 119.66 119.98 1a4x s GLN 131 Ca -0.11 -2.12 0.00 0.00 0.02 0.00 0.00 55.36 53.15 1a4x s GLN 131 Cb -0.14 -1.72 0.02 0.00 1.00 0.00 0.00 33.01 32.17 1a4x s GLN 131 CO 0.03 -0.19 -0.03 -1.17 -2.12 0.00 0.00 175.29 171.81 1a4x s LEU 132 N -3.84 1.06 -0.07 2.90 2.96 -1.26 -0.71 118.68 119.72 1a4x s LEU 132 Ca 0.28 -0.13 0.05 0.00 -0.22 0.00 0.00 54.13 54.11 1a4x s LEU 132 Cb 0.05 -0.48 -0.00 0.00 0.50 0.00 0.00 46.19 46.27 1a4x s LEU 132 CO 0.15 -0.11 -0.22 0.00 -1.32 0.00 0.00 176.35 174.85 1a4x s ALA 133 N 1.34 1.99 0.03 5.97 0.00 0.29 -0.15 121.76 131.22 1a4x s ALA 133 Ca -0.04 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.04 1a4x s ALA 133 Cb -0.13 -0.69 -0.02 0.00 0.00 0.00 0.00 23.12 22.28 1a4x s ALA 133 CO -0.02 0.32 -0.09 0.14 0.00 0.00 0.00 175.76 176.11 1a4x s VAL 134 N 0.15 0.64 0.03 0.00 -7.23 0.22 -1.17 120.40 113.04 1a4x s VAL 134 Ca -0.11 -0.78 -0.20 0.00 -1.81 0.00 0.00 61.98 59.08 1a4x s VAL 134 Cb -0.15 -0.62 -0.17 0.00 0.56 0.00 0.00 36.38 35.99 1a4x s VAL 134 CO 0.06 -0.12 1.25 0.25 -0.31 0.00 0.00 175.10 176.22 1a4x h LEU 135 N 5.11 0.45 -8.14 1.32 5.85 -1.30 -1.55 115.31 117.04 1a4x h LEU 135 Ca -0.34 -0.59 -0.42 0.00 0.84 0.00 0.00 57.88 57.37 1a4x h LEU 135 Cb 1.19 -0.13 -0.27 0.00 0.37 0.00 0.00 40.66 41.82 1a4x h LEU 135 CO 0.45 0.96 -0.79 -0.69 -0.34 0.00 0.00 178.44 178.03 1a4x s VAL 136 N -3.86 0.87 -0.23 1.05 1.01 -0.58 -1.39 120.40 117.27 1a4x s VAL 136 Ca -0.14 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.25 1a4x s VAL 136 Cb 0.05 -0.76 0.05 0.00 0.00 0.00 0.00 36.38 35.72 1a4x s VAL 136 CO 0.78 0.15 -0.12 -0.62 0.00 0.00 0.00 175.10 175.29 1a4x s ASP 137 N -0.52 3.88 -0.01 3.32 -1.08 -0.55 -0.03 116.67 121.69 1a4x s ASP 137 Ca 0.03 -1.11 0.22 0.00 -0.52 0.00 0.00 52.55 51.16 1a4x s ASP 137 Cb -0.05 -1.41 0.64 0.00 -1.46 0.00 0.00 42.92 40.63 1a4x s ASP 137 CO 0.00 -0.15 1.53 -2.11 0.52 0.00 0.00 175.17 174.96 1a4x n ARG 138 N 4.56 2.73 0.00 4.34 1.85 -0.66 -0.45 116.66 129.03 1a4x n ARG 138 Ca -0.15 -2.60 0.00 0.00 -1.00 0.00 0.00 57.85 54.10 1a4x n ARG 138 Cb 0.45 -1.58 0.00 0.00 -1.05 0.00 0.00 32.46 30.28 1a4x n ARG 138 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 1a4x n GLY 139 N 1.61 -1.13 2.78 2.89 0.00 -1.25 -4.17 105.19 105.93 1a4x n GLY 139 Ca 0.24 -1.18 -0.17 0.00 0.00 0.00 0.00 46.02 44.92 1a4x n GLY 139 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1a4x n HIS 140 N -0.57 -1.65 -1.36 1.61 8.25 -1.26 -4.51 115.22 115.73 1a4x n HIS 140 Ca 0.00 0.49 -0.34 0.00 -0.26 0.00 0.00 57.72 57.61 1a4x n HIS 140 Cb 0.00 -3.70 0.10 0.00 1.12 0.00 0.00 29.99 27.51 1a4x n HIS 140 CO 0.00 0.00 0.00 -0.98 0.64 0.00 0.00 176.34 176.00 1a4x s ARG 141 N -5.56 2.00 0.00 -0.41 1.70 -1.18 -4.16 118.95 111.34 1a4x s ARG 141 Ca 0.28 1.81 0.00 0.00 -0.47 0.00 0.00 55.73 57.35 1a4x s ARG 141 Cb -0.13 -1.81 0.00 0.00 -0.57 0.00 0.00 34.95 32.44 1a4x s ARG 141 CO 0.35 -1.95 0.77 0.39 -1.08 0.00 0.00 175.30 173.78 1a4x n GLU 142 N -2.82 1.48 -3.97 3.89 1.02 0.25 -4.93 120.64 115.55 1a4x n GLU 142 Ca 0.14 -1.06 -0.09 0.00 -0.02 0.00 0.00 57.16 56.13 1a4x n GLU 142 Cb 0.50 -0.93 -0.10 0.00 -0.02 0.00 0.00 31.44 30.89 1a4x n GLU 142 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1a4x s LEU 143 N -0.58 2.06 -0.15 -4.62 1.43 -1.19 -5.04 118.68 110.59 1a4x s LEU 143 Ca 0.00 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1a4x s LEU 143 Cb 0.00 0.37 -0.20 0.00 0.03 0.00 0.00 46.19 46.39 1a4x s LEU 143 CO 0.00 -0.46 2.99 -0.81 0.23 0.00 0.00 176.35 178.30 1a4x n PRO 144 N 0.91 1.78 -4.46 1.29 -0.04 -1.26 -4.83 135.00 128.38 1a4x n PRO 144 Ca -0.20 -0.93 -0.34 0.00 -0.04 0.00 0.00 63.50 61.99 1a4x n PRO 144 Cb 0.58 -1.99 -0.14 0.00 -0.04 0.00 0.00 33.50 31.91 1a4x n PRO 144 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1a4x s ILE 145 N 1.52 3.36 0.10 0.52 1.01 -1.26 -5.10 121.20 121.35 1a4x s ILE 145 Ca 0.55 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1a4x s ILE 145 Cb 0.25 -2.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1a4x s ILE 145 CO -0.01 0.49 -0.18 -0.13 0.00 0.00 0.00 174.94 175.12 1a4x s ARG 146 N 0.62 1.02 0.21 2.79 1.81 -1.26 -4.94 118.95 119.19 1a4x s ARG 146 Ca -0.05 -1.10 -0.29 0.00 -1.72 0.00 0.00 55.73 52.56 1a4x s ARG 146 Cb -0.15 -1.16 -0.08 0.00 -0.45 0.00 0.00 34.95 33.11 1a4x s ARG 146 CO 0.03 0.26 0.91 0.00 -0.68 0.00 0.00 175.30 175.82 1a4x s ALA 147 N -1.29 3.34 -0.15 2.13 0.00 -1.26 -4.75 121.76 119.78 1a4x s ALA 147 Ca 0.04 0.56 0.17 0.00 0.00 0.00 0.00 51.96 52.74 1a4x s ALA 147 Cb -0.10 -3.17 -0.08 0.00 0.00 0.00 0.00 23.12 19.77 1a4x s ALA 147 CO 0.04 0.19 0.97 -0.44 0.00 0.00 0.00 175.76 176.51 1a4x h ASP 148 N 4.41 0.00 -3.46 0.00 3.32 -0.94 -3.46 116.42 116.30 1a4x h ASP 148 Ca -0.45 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 56.22 1a4x h ASP 148 Cb 1.20 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.41 1a4x h ASP 148 CO 0.68 0.48 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.61 1a4x s TYR 149 N -3.00 0.51 -0.03 4.55 1.51 -0.84 -5.00 117.35 115.06 1a4x s TYR 149 Ca -0.01 -0.09 0.03 0.00 -1.01 0.00 0.00 57.07 55.98 1a4x s TYR 149 Cb 0.09 -0.54 0.00 0.00 -0.11 0.00 0.00 41.96 41.39 1a4x s TYR 149 CO 0.80 -0.17 -0.11 0.42 -1.11 0.00 0.00 175.55 175.38 1a4x s ILE 150 N 1.06 0.93 0.02 2.71 1.01 -1.26 -0.61 121.20 125.07 1a4x s ILE 150 Ca -0.09 -0.45 -0.08 0.00 0.00 0.00 0.00 60.65 60.03 1a4x s ILE 150 Cb -0.14 -0.81 -0.30 0.00 0.01 0.00 0.00 42.46 41.22 1a4x s ILE 150 CO -0.01 0.28 0.94 1.23 0.00 0.00 0.00 174.94 177.38 1a4x h GLY 151 N 6.29 0.40 -5.71 6.18 0.00 -0.64 -3.47 103.07 106.11 1a4x h GLY 151 Ca -0.33 -1.03 0.14 0.00 0.00 0.00 0.00 47.33 46.11 1a4x h GLY 151 CO 0.49 0.90 0.30 1.25 0.00 0.00 0.00 176.54 179.47 1a4x s LYS 152 N -2.62 0.35 0.06 4.80 2.47 -0.49 -4.80 119.74 119.52 1a4x s LYS 152 Ca -0.09 0.72 -0.27 0.00 -1.56 0.00 0.00 55.97 54.77 1a4x s LYS 152 Cb 0.06 0.26 -0.05 0.00 -1.46 0.00 0.00 37.83 36.64 1a4x s LYS 152 CO 0.89 -0.09 0.84 -0.80 0.16 0.00 0.00 175.35 176.35 1a4x s ASN 153 N 1.88 7.31 -0.15 1.43 -0.87 -1.26 -1.48 114.94 121.81 1a4x s ASN 153 Ca -0.06 1.57 -0.01 0.00 -1.57 0.00 0.00 52.86 52.79 1a4x s ASN 153 Cb -0.05 -2.51 0.04 0.00 -0.02 0.00 0.00 41.25 38.71 1a4x s ASN 153 CO -0.16 -0.03 -0.03 -0.63 -2.57 0.00 0.00 177.10 173.67 1a4x s ILE 154 N 0.05 0.90 0.04 0.60 -1.09 0.41 -4.92 121.20 117.18 1a4x s ILE 154 Ca 0.42 -0.48 -0.30 0.00 -2.23 0.00 0.00 60.65 58.06 1a4x s ILE 154 Cb -0.21 -1.11 -0.06 0.00 -1.58 0.00 0.00 42.46 39.50 1a4x s ILE 154 CO 0.25 0.12 1.30 -2.16 -1.23 0.00 0.00 174.94 173.23 1a4x s PRO 155 N 1.73 4.35 0.18 2.79 0.04 -1.26 -4.20 135.00 138.63 1a4x s PRO 155 Ca 0.01 1.89 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1a4x s PRO 155 Cb -0.15 -3.42 -0.05 0.00 0.04 0.00 0.00 34.50 30.92 1a4x s PRO 155 CO -0.07 -0.42 0.02 0.95 0.04 0.00 0.00 177.00 177.52 1a4x s THR 156 N 1.64 0.61 0.48 1.26 -4.23 -1.26 -5.10 115.64 109.04 1a4x s THR 156 Ca 0.61 -1.98 0.05 0.00 -1.18 0.00 0.00 61.69 59.19 1a4x s THR 156 Cb -0.31 -2.20 0.02 0.00 1.34 0.00 0.00 72.50 71.35 1a4x s THR 156 CO 0.28 -0.40 0.67 -0.94 -0.54 0.00 0.00 174.62 173.69 1a4x s SER 157 N -3.18 5.48 0.30 3.99 1.04 -1.26 -5.00 113.70 115.06 1a4x s SER 157 Ca 0.26 -0.23 0.02 0.00 0.48 0.00 0.00 55.95 56.48 1a4x s SER 157 Cb 0.06 -0.75 0.47 0.00 0.10 0.00 0.00 66.02 65.90 1a4x s SER 157 CO 0.05 -0.94 1.79 0.11 0.98 0.00 0.00 173.24 175.23 1a4x h LYS 158 N 0.37 0.57 0.00 4.02 1.57 -2.01 -2.98 116.57 118.11 1a4x h LYS 158 Ca -0.41 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.21 1a4x h LYS 158 Cb 1.29 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1a4x h LYS 158 CO 0.48 0.66 0.00 -1.13 -0.57 0.00 0.00 179.45 178.90 1a4x n SER 159 N -4.20 0.43 -4.85 0.86 3.41 -1.26 -4.87 113.62 103.14 1a4x n SER 159 Ca 0.01 0.56 -0.31 0.00 -0.26 0.00 0.00 58.87 58.87 1a4x n SER 159 Cb 0.32 -0.67 0.01 0.00 -0.26 0.00 0.00 64.21 63.60 1a4x n SER 159 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1a4x s GLU 160 N -3.11 3.53 -0.02 4.33 2.02 -1.13 -3.82 118.70 120.51 1a4x s GLU 160 Ca 0.09 0.88 0.05 0.00 0.02 0.00 0.00 54.97 56.01 1a4x s GLU 160 Cb 0.13 -2.07 -0.01 0.00 0.10 0.00 0.00 34.13 32.28 1a4x s GLU 160 CO 0.47 -0.62 -0.17 0.15 0.02 0.00 0.00 175.26 175.12 1a4x s LYS 161 N -4.78 1.48 -0.10 1.61 1.02 0.22 -4.94 119.74 114.26 1a4x s LYS 161 Ca 0.57 -0.59 0.02 0.00 0.02 0.00 0.00 55.97 55.99 1a4x s LYS 161 Cb -0.12 -1.38 -0.02 0.00 -0.52 0.00 0.00 37.83 35.80 1a4x s LYS 161 CO 0.47 0.31 -0.16 0.08 -0.92 0.00 0.00 175.35 175.14 1a4x s VAL 162 N -0.23 2.84 -0.04 3.17 1.01 -1.26 -0.11 120.40 125.79 1a4x s VAL 162 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.26 1a4x s VAL 162 Cb -0.08 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.17 1a4x s VAL 162 CO 0.00 0.55 -0.05 -0.32 0.00 0.00 0.00 175.10 175.28 1a4x s MET 163 N 0.06 0.87 -0.07 2.72 0.00 0.84 -4.98 119.30 118.74 1a4x s MET 163 Ca -0.06 -0.13 -0.11 0.00 0.00 0.00 0.00 55.69 55.39 1a4x s MET 163 Cb -0.15 -0.85 -0.05 0.00 0.00 0.00 0.00 34.83 33.78 1a4x s MET 163 CO 0.05 -0.06 0.27 0.08 0.00 0.00 0.00 175.02 175.36 1a4x s VAL 164 N 0.84 5.27 -0.09 10.11 1.01 -1.26 -0.17 120.40 136.12 1a4x s VAL 164 Ca -0.12 0.52 0.03 0.00 0.00 0.00 0.00 61.98 62.41 1a4x s VAL 164 Cb -0.14 -3.56 0.01 0.00 0.00 0.00 0.00 36.38 32.68 1a4x s VAL 164 CO 0.01 0.58 -0.18 -1.10 0.00 0.00 0.00 175.10 174.41 1a4x s GLN 165 N -0.91 2.35 0.00 2.72 -1.52 0.64 -4.99 119.66 117.96 1a4x s GLN 165 Ca 0.19 -0.63 0.08 0.00 -1.95 0.00 0.00 55.36 53.04 1a4x s GLN 165 Cb -0.14 -1.86 -0.02 0.00 -0.22 0.00 0.00 33.01 30.77 1a4x s GLN 165 CO 0.08 0.08 -0.24 -0.51 -0.25 0.00 0.00 175.29 174.44 1a4x s LEU 166 N 0.58 2.09 0.00 2.90 1.43 -1.06 -0.61 118.68 124.01 1a4x s LEU 166 Ca -0.15 -0.49 0.11 0.00 -1.03 0.00 0.00 54.13 52.57 1a4x s LEU 166 Cb -0.17 -1.23 0.50 0.00 0.03 0.00 0.00 46.19 45.32 1a4x s LEU 166 CO 0.05 0.27 1.34 -0.90 0.23 0.00 0.00 176.35 177.35 1a4x n ASP 167 N 2.23 0.00 -0.47 2.29 5.68 -1.13 -0.48 116.55 124.68 1a4x n ASP 167 Ca -0.16 0.44 0.14 0.00 -0.50 0.00 0.00 54.79 54.70 1a4x n ASP 167 Cb 0.52 -0.46 0.53 0.00 -1.14 0.00 0.00 41.12 40.57 1a4x n ASP 167 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03 1a4x n GLU 168 N -1.46 1.64 0.00 0.11 0.00 -1.26 -4.41 120.64 115.26 1a4x n GLU 168 Ca 0.03 -0.94 0.00 0.00 0.00 0.00 0.00 57.16 56.26 1a4x n GLU 168 Cb 0.12 -1.48 0.00 0.00 0.00 0.00 0.00 31.44 30.09 1a4x n GLU 168 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1a4x n VAL 169 N 0.14 0.03 -3.24 3.84 0.31 -0.62 -5.11 118.33 113.68 1a4x n VAL 169 Ca 0.19 0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.53 1a4x n VAL 169 Cb 0.34 -1.08 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1a4x n VAL 169 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 1a4x n ASP 170 N -2.82 0.58 -0.05 4.52 8.00 0.37 -5.02 116.55 122.13 1a4x n ASP 170 Ca 0.00 -0.95 -0.15 0.00 0.71 0.00 0.00 54.79 54.41 1a4x n ASP 170 Cb 0.28 0.00 -0.07 0.00 -0.02 0.00 0.00 41.12 41.31 1a4x n ASP 170 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 1a4x h GLN 171 N 0.00 0.54 -4.96 -1.24 4.15 -1.87 -3.39 115.11 108.34 1a4x h GLN 171 Ca 0.00 -0.37 -0.52 0.00 0.77 0.00 0.00 58.65 58.53 1a4x h GLN 171 Cb 0.00 0.05 -0.13 0.00 0.21 0.00 0.00 27.48 27.61 1a4x h GLN 171 CO 0.00 0.98 -0.49 -0.80 -1.93 0.00 0.00 178.83 176.59 1a4x s ASN 172 N -6.55 2.20 -0.32 -0.69 0.02 -1.26 -4.80 114.94 103.54 1a4x s ASN 172 Ca -0.13 -1.75 -0.08 0.00 -1.02 0.00 0.00 52.86 49.87 1a4x s ASN 172 Cb 0.06 0.58 0.01 0.00 0.02 0.00 0.00 41.25 41.92 1a4x s ASN 172 CO 0.81 -1.03 0.13 -1.81 0.02 0.00 0.00 177.10 175.22 1a4x s ASP 173 N -3.48 5.39 0.10 -1.22 1.11 -1.25 -2.57 116.67 114.74 1a4x s ASP 173 Ca 0.33 -0.77 -0.26 0.00 0.18 0.00 0.00 52.55 52.03 1a4x s ASP 173 Cb 0.02 -1.94 0.08 0.00 1.07 0.00 0.00 42.92 42.14 1a4x s ASP 173 CO 0.23 -0.25 0.95 -1.48 1.18 0.00 0.00 175.17 175.80 1a4x s LEU 174 N 1.53 -0.23 -0.06 1.23 0.05 0.22 -2.66 118.68 118.76 1a4x s LEU 174 Ca 0.02 -0.27 0.02 0.00 0.05 0.00 0.00 54.13 53.95 1a4x s LEU 174 Cb -0.18 2.09 0.01 0.00 -2.05 0.00 0.00 46.19 46.06 1a4x s LEU 174 CO 0.04 -0.80 -0.11 -0.69 -0.55 0.00 0.00 176.35 174.24 1a4x s VAL 175 N -3.20 1.06 0.16 1.48 1.01 -0.31 -0.26 120.40 120.34 1a4x s VAL 175 Ca 0.10 -0.44 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1a4x s VAL 175 Cb -0.01 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.35 1a4x s VAL 175 CO -0.01 0.34 -0.16 0.00 0.00 0.00 0.00 175.10 175.27 1a4x s ALA 176 N 0.67 1.82 -0.02 5.51 0.00 0.76 -0.76 121.76 129.74 1a4x s ALA 176 Ca -0.14 -1.46 0.06 0.00 0.00 0.00 0.00 51.96 50.42 1a4x s ALA 176 Cb -0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.83 1a4x s ALA 176 CO 0.03 0.15 -0.21 -1.50 0.00 0.00 0.00 175.76 174.23 1a4x s ILE 177 N -2.30 1.68 0.06 0.00 2.07 -0.04 -0.11 121.20 122.57 1a4x s ILE 177 Ca 0.15 -0.90 0.07 0.00 -1.41 0.00 0.00 60.65 58.56 1a4x s ILE 177 Cb -0.04 -1.40 -0.03 0.00 0.13 0.00 0.00 42.46 41.12 1a4x s ILE 177 CO 0.05 0.48 -0.19 -0.31 -1.91 0.00 0.00 174.94 173.06 1a4x s TYR 178 N -0.40 1.65 0.30 3.50 1.51 0.85 -2.03 117.35 122.73 1a4x s TYR 178 Ca 0.06 -0.39 0.06 0.00 -1.01 0.00 0.00 57.07 55.78 1a4x s TYR 178 Cb -0.09 -0.95 -0.02 0.00 -0.11 0.00 0.00 41.96 40.79 1a4x s TYR 178 CO -0.00 0.11 0.44 -1.21 -1.11 0.00 0.00 175.55 173.78 1a4x s GLU 179 N -1.44 3.25 0.00 -0.62 0.41 -1.26 -0.61 118.70 118.42 1a4x s GLU 179 Ca 0.05 -0.88 0.00 0.00 -0.41 0.00 0.00 54.97 53.74 1a4x s GLU 179 Cb -0.09 -2.83 0.00 0.00 -1.78 0.00 0.00 34.13 29.43 1a4x s GLU 179 CO 0.02 0.19 0.00 0.27 -0.49 0.00 0.00 175.26 175.25