#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 -1.35 -0.12 3.14 0.00 -0.99 -4.99 121.76 117.44 1a4x s ALA 5 Ca 0.00 1.63 -0.24 0.00 0.00 0.00 0.00 51.96 53.35 1a4x s ALA 5 Cb 0.00 -0.96 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 1a4x s ALA 5 CO 0.00 -0.27 0.76 0.08 0.00 0.00 0.00 175.76 176.33 1a4x s VAL 6 N 0.62 4.97 -0.08 0.00 1.01 -1.26 -0.80 120.40 124.86 1a4x s VAL 6 Ca -0.03 1.53 0.14 0.00 0.00 0.00 0.00 61.98 63.62 1a4x s VAL 6 Cb -0.05 -4.09 -0.20 0.00 0.00 0.00 0.00 36.38 32.05 1a4x s VAL 6 CO -0.04 0.14 0.19 2.30 0.00 0.00 0.00 175.10 177.69 1a4x n ILE 7 N 4.27 0.46 -3.93 2.22 -5.35 -0.02 -4.96 119.36 112.06 1a4x n ILE 7 Ca 0.01 -0.46 -0.14 0.00 -0.27 0.00 0.00 62.75 61.89 1a4x n ILE 7 Cb 0.50 -0.23 -0.15 0.00 -1.74 0.00 0.00 39.64 38.02 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 -4.51 1.68 0.00 7.28 1.02 -1.15 -4.99 118.68 118.01 1a4x s LEU 8 Ca -0.06 -0.02 0.05 0.00 0.02 0.00 0.00 54.13 54.12 1a4x s LEU 8 Cb 0.07 -0.12 0.05 0.00 0.02 0.00 0.00 46.19 46.21 1a4x s LEU 8 CO 0.59 -0.03 0.40 -0.90 0.02 0.00 0.00 176.35 176.43 1a4x n ASP 9 N 3.45 2.06 -0.28 2.29 5.68 -1.26 -1.27 116.55 127.22 1a4x n ASP 9 Ca -0.18 -2.32 0.07 0.00 -0.50 0.00 0.00 54.79 51.86 1a4x n ASP 9 Cb 0.56 -0.12 0.21 0.00 -1.14 0.00 0.00 41.12 40.63 1a4x n ASP 9 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 1a4x h GLU 10 N 0.00 0.53 -0.20 0.11 4.81 -1.92 0.11 114.58 118.03 1a4x h GLU 10 Ca -0.24 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 58.94 1a4x h GLU 10 Cb 0.94 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.19 1a4x h GLU 10 CO 0.37 0.35 0.04 0.37 -0.73 0.00 0.00 179.01 179.41 1a4x h GLN 11 N 0.54 0.32 -0.73 1.92 4.15 -1.95 -0.83 115.11 118.54 1a4x h GLN 11 Ca 0.45 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.83 1a4x h GLN 11 Cb 0.66 -0.04 -0.05 0.00 0.21 0.00 0.00 27.48 28.26 1a4x h GLN 11 CO -0.38 0.46 0.44 0.00 -1.93 0.00 0.00 178.83 177.41 1a4x h ALA 12 N 0.84 0.97 -0.34 3.38 0.00 -1.72 -0.78 119.26 121.61 1a4x h ALA 12 Ca 0.06 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1a4x h ALA 12 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 1a4x h ALA 12 CO 0.00 0.17 0.11 0.82 0.00 0.00 0.00 179.25 180.36 1a4x h ILE 13 N 0.83 1.20 -0.66 0.00 2.04 -0.79 -1.39 117.51 118.74 1a4x h ILE 13 Ca 0.31 -0.65 0.01 0.00 1.00 0.00 0.00 64.86 65.52 1a4x h ILE 13 Cb 0.11 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1a4x h ILE 13 CO -0.15 0.22 0.43 -0.09 0.00 0.00 0.00 178.15 178.57 1a4x h ARG 14 N 0.39 0.87 -0.35 2.37 2.43 -0.83 -1.26 114.38 117.99 1a4x h ARG 14 Ca 0.11 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 1a4x h ARG 14 Cb 0.24 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.58 1a4x h ARG 14 CO -0.00 0.58 0.05 0.00 -1.51 0.00 0.00 179.97 179.08 1a4x h ARG 15 N 0.89 0.59 -0.67 0.20 3.08 -0.94 -0.72 114.38 116.81 1a4x h ARG 15 Ca 0.24 -0.16 0.01 0.00 0.07 0.00 0.00 59.98 60.14 1a4x h ARG 15 Cb -0.10 -0.07 -0.04 0.00 0.08 0.00 0.00 29.97 29.85 1a4x h ARG 15 CO -0.05 0.67 0.44 0.00 -1.07 0.00 0.00 179.97 179.96 1a4x h ALA 16 N 0.89 0.85 -0.55 0.04 0.00 -1.04 -1.23 119.26 118.23 1a4x h ALA 16 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1a4x h ALA 16 Cb 0.37 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1a4x h ALA 16 CO 0.01 0.25 -0.08 -0.07 0.00 0.00 0.00 179.25 179.36 1a4x h LEU 17 N 0.88 1.02 -0.91 0.00 3.38 -1.12 0.07 115.31 118.64 1a4x h LEU 17 Ca 0.25 -0.34 -0.05 0.00 0.09 0.00 0.00 57.88 57.83 1a4x h LEU 17 Cb -0.07 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 1a4x h LEU 17 CO -0.07 1.12 0.24 0.74 0.09 0.00 0.00 178.44 180.56 1a4x h THR 18 N 0.90 1.25 -0.54 0.22 2.02 -0.77 -0.73 112.91 115.25 1a4x h THR 18 Ca 0.15 -0.82 -0.07 0.00 0.77 0.00 0.00 66.41 66.44 1a4x h THR 18 Cb 0.64 0.46 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 1a4x h THR 18 CO 0.04 0.32 0.08 -0.09 0.37 0.00 0.00 175.52 176.25 1a4x h ARG 19 N 1.01 0.90 -0.29 6.66 2.43 -0.91 -1.86 114.38 122.31 1a4x h ARG 19 Ca 0.23 -0.25 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 1a4x h ARG 19 Cb 0.25 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1a4x h ARG 19 CO -0.01 0.88 0.01 0.82 -1.51 0.00 0.00 179.97 180.15 1a4x h ILE 20 N 0.79 1.25 -0.19 1.20 2.04 -0.57 -1.54 117.51 120.50 1a4x h ILE 20 Ca 0.16 -0.92 0.04 0.00 1.00 0.00 0.00 64.86 65.15 1a4x h ILE 20 Cb 0.42 1.28 -0.04 0.00 -0.74 0.00 0.00 36.82 37.74 1a4x h ILE 20 CO 0.01 0.30 -0.06 0.00 0.00 0.00 0.00 178.15 178.40 1a4x h ALA 21 N 0.84 0.11 -0.09 1.87 0.00 -1.00 0.18 119.26 121.17 1a4x h ALA 21 Ca 0.08 0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1a4x h ALA 21 Cb 0.42 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.36 1a4x h ALA 21 CO 0.01 -0.49 0.00 0.45 0.00 0.00 0.00 179.25 179.23 1a4x h HIS 22 N -0.02 0.00 -0.57 0.00 3.86 -1.28 -1.34 115.15 115.81 1a4x h HIS 22 Ca 0.10 0.01 0.02 0.00 -1.16 0.00 0.00 60.37 59.33 1a4x h HIS 22 Cb 0.16 0.01 -0.03 0.00 1.06 0.00 0.00 27.41 28.62 1a4x h HIS 22 CO -0.22 -0.01 0.37 0.93 0.86 0.00 0.00 177.93 179.87 1a4x h GLU 23 N 0.04 0.68 -0.46 2.45 5.08 -0.89 0.15 114.58 121.62 1a4x h GLU 23 Ca 0.04 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.28 1a4x h GLU 23 Cb 0.05 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1a4x h GLU 23 CO -0.07 0.45 -0.04 0.52 -1.00 0.00 0.00 179.01 178.87 1a4x h MET 24 N 0.70 0.84 -0.47 2.33 2.86 -0.16 -1.39 114.93 119.64 1a4x h MET 24 Ca 0.22 -0.29 -0.08 0.00 -2.06 0.00 0.00 59.70 57.49 1a4x h MET 24 Cb 0.01 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1a4x h MET 24 CO -0.05 0.91 -0.02 0.82 1.06 0.00 0.00 176.91 179.63 1a4x h ILE 25 N 0.69 1.26 -0.26 -1.22 2.04 -0.42 -1.48 117.51 118.13 1a4x h ILE 25 Ca 0.13 -1.09 -0.14 0.00 1.00 0.00 0.00 64.86 64.75 1a4x h ILE 25 Cb 0.56 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.66 1a4x h ILE 25 CO 0.03 0.38 -0.43 -0.33 0.00 0.00 0.00 178.15 177.80 1a4x h GLU 26 N 0.69 0.64 0.00 2.37 5.08 -0.69 -0.26 114.58 122.42 1a4x h GLU 26 Ca 0.13 -0.35 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 1a4x h GLU 26 Cb 0.53 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1a4x h GLU 26 CO 0.03 0.95 -0.82 0.54 -1.00 0.00 0.00 179.01 178.71 1a4x n ARG 27 N -4.02 0.12 -2.30 2.33 1.74 -0.53 -4.47 116.66 109.53 1a4x n ARG 27 Ca -0.02 0.00 -0.18 0.00 -0.77 0.00 0.00 57.85 56.87 1a4x n ARG 27 Cb 0.54 -1.54 0.02 0.00 -1.02 0.00 0.00 32.46 30.47 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 -1.69 3.99 -4.04 0.55 4.13 -0.56 -5.00 115.26 112.65 1a4x n ASN 28 Ca 0.04 -3.32 -0.29 0.00 1.68 0.00 0.00 54.58 52.68 1a4x n ASN 28 Cb 0.38 -0.40 -0.03 0.00 -1.54 0.00 0.00 39.78 38.18 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 -0.62 -2.18 -0.98 3.52 5.02 -1.22 -0.32 118.16 121.38 1a4x n LYS 29 Ca 0.33 0.29 0.00 0.00 -2.02 0.00 0.00 58.31 56.92 1a4x n LYS 29 Cb 0.88 -4.05 0.00 0.00 -0.02 0.00 0.00 35.03 31.84 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 -2.14 0.48 2.30 0.72 0.00 -0.11 -3.25 105.19 103.19 1a4x n GLY 30 Ca -0.28 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.17 -0.67 -1.91 1.61 2.81 0.57 -4.88 117.12 112.46 1a4x n MET 31 Ca 0.00 0.68 -0.42 0.00 -1.81 0.00 0.00 57.70 56.15 1a4x n MET 31 Cb 0.08 -4.51 -0.03 0.00 -0.71 0.00 0.00 33.22 28.05 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 -2.71 6.60 -0.85 7.83 -0.87 -1.20 -2.11 114.94 121.62 1a4x s ASN 32 Ca 0.00 2.45 0.00 0.00 -1.57 0.00 0.00 52.86 53.74 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 -0.92 0.00 0.59 -2.57 0.00 0.00 177.10 174.20 1a4x n ASN 33 N 6.22 -4.21 -4.61 -1.22 3.02 -1.26 -4.98 115.26 108.22 1a4x n ASN 33 Ca 0.17 0.20 -0.34 0.00 -0.03 0.00 0.00 54.58 54.57 1a4x n ASN 33 Cb 0.41 -2.42 -0.11 0.00 -0.61 0.00 0.00 39.78 37.06 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 -0.39 3.72 -0.12 0.00 1.01 -0.25 -4.37 121.20 120.80 1a4x s ILE 35 Ca 0.07 -0.41 -0.18 0.00 0.00 0.00 0.00 60.65 60.12 1a4x s ILE 35 Cb -0.12 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.68 1a4x s ILE 35 CO 0.02 0.49 0.48 -0.76 0.00 0.00 0.00 174.94 175.17 1a4x s LEU 36 N 0.49 4.28 -0.20 2.97 1.43 -0.63 -0.58 118.68 126.43 1a4x s LEU 36 Ca -0.04 0.82 0.00 0.00 -1.03 0.00 0.00 54.13 53.88 1a4x s LEU 36 Cb -0.15 -2.70 0.05 0.00 0.03 0.00 0.00 46.19 43.42 1a4x s LEU 36 CO 0.03 -0.00 -0.05 -0.69 0.23 0.00 0.00 176.35 175.86 1a4x s VAL 37 N 0.64 1.33 0.39 -1.59 1.01 0.27 -0.38 120.40 122.07 1a4x s VAL 37 Ca 0.26 -0.94 -0.23 0.00 0.00 0.00 0.00 61.98 61.07 1a4x s VAL 37 Cb -0.15 -1.55 -0.10 0.00 0.00 0.00 0.00 36.38 34.58 1a4x s VAL 37 CO 0.10 0.01 0.97 -0.83 0.00 0.00 0.00 175.10 175.36 1a4x s GLY 38 N 1.51 2.60 -0.01 4.51 0.00 -0.45 -0.85 107.32 114.63 1a4x s GLY 38 Ca -0.02 0.51 0.04 0.00 0.00 0.00 0.00 44.72 45.25 1a4x s GLY 38 CO -0.07 0.87 -0.14 -0.26 0.00 0.00 0.00 173.10 173.50 1a4x s ILE 39 N -1.88 1.12 0.12 0.90 -4.36 -0.63 -1.02 121.20 115.45 1a4x s ILE 39 Ca 0.58 -0.62 0.00 0.00 -0.26 0.00 0.00 60.65 60.34 1a4x s ILE 39 Cb -0.15 -0.94 0.00 0.00 1.25 0.00 0.00 42.46 42.62 1a4x s ILE 39 CO 0.20 0.30 0.00 0.29 0.24 0.00 0.00 174.94 175.97 1a4x n LYS 40 N 2.69 -0.68 0.03 0.37 5.02 -1.19 -3.13 118.16 121.27 1a4x n LYS 40 Ca -0.14 0.55 -0.13 0.00 -2.02 0.00 0.00 58.31 56.57 1a4x n LYS 40 Cb 0.55 -0.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.75 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 -0.19 0.15 0.00 -0.18 2.02 -1.89 -2.11 112.91 110.70 1a4x h THR 41 Ca -0.03 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.15 1a4x h THR 41 Cb 0.24 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 1a4x h THR 41 CO 0.01 0.00 0.00 0.03 0.37 0.00 0.00 175.52 175.93 1a4x h ARG 42 N -0.53 0.00 -0.28 6.66 3.08 -1.97 -2.75 114.38 118.59 1a4x h ARG 42 Ca 0.06 0.00 -0.14 0.00 0.07 0.00 0.00 59.98 59.97 1a4x h ARG 42 Cb 0.64 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1a4x h ARG 42 CO -0.36 0.00 -0.41 0.78 -1.07 0.00 0.00 179.97 178.91 1a4x h GLY 43 N 2.88 0.74 1.04 0.04 0.00 -1.40 -0.87 103.07 105.49 1a4x h GLY 43 Ca 0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.52 1a4x h GLY 43 CO 0.00 0.68 0.20 -2.22 0.00 0.00 0.00 176.54 175.20 1a4x h ILE 44 N 0.55 1.26 -0.34 2.60 2.04 -1.10 -0.44 117.51 122.07 1a4x h ILE 44 Ca 0.04 -0.89 -0.07 0.00 1.00 0.00 0.00 64.86 64.94 1a4x h ILE 44 Cb 0.94 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1a4x h ILE 44 CO 0.09 0.34 -0.07 1.88 0.00 0.00 0.00 178.15 180.39 1a4x h TYR 45 N 1.00 0.74 -0.70 1.37 0.05 -1.34 -2.10 116.97 115.99 1a4x h TYR 45 Ca 0.22 -0.16 -0.02 0.00 0.05 0.00 0.00 58.73 58.82 1a4x h TYR 45 Cb 0.31 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 37.84 1a4x h TYR 45 CO 0.02 0.82 0.35 -0.07 -1.05 0.00 0.00 178.16 178.23 1a4x h LEU 46 N 0.45 0.90 -0.83 3.88 3.38 -1.07 0.64 115.31 122.65 1a4x h LEU 46 Ca 0.09 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.99 1a4x h LEU 46 Cb 0.57 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.03 1a4x h LEU 46 CO 0.03 0.77 0.52 0.00 0.09 0.00 0.00 178.44 179.85 1a4x h ALA 47 N 1.17 1.13 -0.58 1.53 0.00 -0.92 0.19 119.26 121.78 1a4x h ALA 47 Ca 0.24 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 1a4x h ALA 47 Cb 0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1a4x h ALA 47 CO -0.03 0.29 -0.05 0.87 0.00 0.00 0.00 179.25 180.33 1a4x h LYS 48 N 0.97 1.06 -0.45 0.00 1.57 -0.75 0.33 116.57 119.31 1a4x h LYS 48 Ca 0.35 -0.36 -0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1a4x h LYS 48 Cb 0.12 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 1a4x h LYS 48 CO -0.15 1.06 0.16 0.00 -0.57 0.00 0.00 179.45 179.95 1a4x h ARG 49 N 0.95 0.68 -0.54 3.15 3.08 -0.03 -1.52 114.38 120.15 1a4x h ARG 49 Ca 0.16 -0.14 -0.04 0.00 0.07 0.00 0.00 59.98 60.03 1a4x h ARG 49 Cb 0.62 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.54 1a4x h ARG 49 CO 0.04 0.65 0.18 -0.07 -1.07 0.00 0.00 179.97 179.70 1a4x h LEU 50 N 0.58 0.77 -1.04 3.04 3.38 -0.49 -0.38 115.31 121.17 1a4x h LEU 50 Ca 0.15 -0.20 0.03 0.00 0.09 0.00 0.00 57.88 57.95 1a4x h LEU 50 Cb 0.24 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.73 1a4x h LEU 50 CO -0.01 0.76 0.64 0.00 0.09 0.00 0.00 178.44 179.93 1a4x h ALA 51 N 1.04 1.36 -0.23 1.53 0.00 -0.79 0.23 119.26 122.40 1a4x h ALA 51 Ca 0.18 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 1a4x h ALA 51 Cb 0.26 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 1a4x h ALA 51 CO -0.01 0.55 -0.01 1.49 0.00 0.00 0.00 179.25 181.27 1a4x h GLU 52 N 1.25 0.42 -0.52 0.00 4.81 -0.80 -0.91 114.58 118.83 1a4x h GLU 52 Ca 0.39 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.46 1a4x h GLU 52 Cb -0.01 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1a4x h GLU 52 CO -0.12 0.61 0.27 0.00 -0.73 0.00 0.00 179.01 179.04 1a4x h ARG 53 N 0.18 0.73 -0.49 1.92 3.08 -0.76 -0.35 114.38 118.69 1a4x h ARG 53 Ca 0.06 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 59.95 1a4x h ARG 53 Cb 0.43 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 1a4x h ARG 53 CO 0.01 0.58 0.03 0.82 -1.07 0.00 0.00 179.97 180.34 1a4x h ILE 54 N 0.69 1.24 -0.19 2.04 2.04 -0.87 -2.50 117.51 119.95 1a4x h ILE 54 Ca 0.18 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.00 1a4x h ILE 54 Cb 0.08 0.83 -0.00 0.00 -0.74 0.00 0.00 36.82 36.99 1a4x h ILE 54 CO -0.03 0.35 -0.15 -0.08 0.00 0.00 0.00 178.15 178.24 1a4x h GLU 55 N 0.76 0.44 0.00 2.37 4.81 -0.81 0.34 114.58 122.50 1a4x h GLU 55 Ca 0.15 -0.22 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 1a4x h GLU 55 Cb 0.42 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.80 1a4x h GLU 55 CO 0.02 0.77 0.00 0.00 -0.73 0.00 0.00 179.01 179.07 1a4x n GLN 56 N -4.50 0.01 -0.11 1.92 10.64 -0.17 0.10 117.38 125.27 1a4x n GLN 56 Ca -0.05 0.32 -0.20 0.00 -1.83 0.00 0.00 57.00 55.24 1a4x n GLN 56 Cb 0.37 -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 -1.48 1.24 0.15 -0.39 5.41 -0.96 -4.66 119.36 118.67 1a4x n ILE 57 Ca 0.03 -0.40 0.11 0.00 1.00 0.00 0.00 62.75 63.48 1a4x n ILE 57 Cb 0.11 -1.52 0.07 0.00 -0.71 0.00 0.00 39.64 37.58 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 -0.39 0.00 -0.37 0.38 4.39 -0.08 -3.48 114.58 115.03 1a4x h GLU 58 Ca -0.53 0.00 -0.16 0.00 0.34 0.00 0.00 59.36 59.01 1a4x h GLU 58 Cb 1.63 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 30.22 1a4x h GLU 58 CO -0.21 0.04 -0.14 0.41 -1.16 0.00 0.00 179.01 177.95 1a4x n GLY 59 N 1.16 0.94 3.03 -3.84 0.00 0.28 -4.98 105.19 101.79 1a4x n GLY 59 Ca 0.01 -0.36 -0.22 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.62 1.42 0.63 1.61 0.01 -1.24 -5.06 114.94 109.69 1a4x s ASN 60 Ca 0.00 -0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 51.77 1a4x s ASN 60 Cb 0.00 -0.38 -0.02 0.00 0.41 0.00 0.00 41.25 41.27 1a4x s ASN 60 CO 0.00 0.09 1.09 -2.84 -1.51 0.00 0.00 177.10 173.93 1a4x s PRO 61 N 0.14 3.02 -0.11 -0.60 0.02 -1.26 -4.05 135.00 132.17 1a4x s PRO 61 Ca -0.03 1.31 0.03 0.00 0.02 0.00 0.00 61.00 62.34 1a4x s PRO 61 Cb -0.09 -1.98 -0.00 0.00 0.02 0.00 0.00 34.50 32.44 1a4x s PRO 61 CO 0.01 -1.07 -0.22 0.08 -0.33 0.00 0.00 177.00 175.47 1a4x s VAL 62 N -2.38 2.23 0.18 3.83 1.01 -1.26 -5.00 120.40 119.00 1a4x s VAL 62 Ca 0.66 -0.95 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 1a4x s VAL 62 Cb -0.19 -1.87 -0.08 0.00 0.00 0.00 0.00 36.38 34.24 1a4x s VAL 62 CO 0.40 0.55 1.25 -0.89 0.00 0.00 0.00 175.10 176.40 1a4x s THR 63 N 0.40 3.47 -0.06 3.92 2.01 -1.26 -4.94 115.64 119.18 1a4x s THR 63 Ca -0.16 1.20 0.06 0.00 0.31 0.00 0.00 61.69 63.09 1a4x s THR 63 Cb -0.17 -3.77 -0.01 0.00 0.01 0.00 0.00 72.50 68.56 1a4x s THR 63 CO 0.07 0.17 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.25 1a4x s VAL 64 N 0.16 2.23 0.43 3.82 1.01 -1.26 -1.60 120.40 125.19 1a4x s VAL 64 Ca 0.55 -1.01 0.04 0.00 0.00 0.00 0.00 61.98 61.56 1a4x s VAL 64 Cb -0.34 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.20 1a4x s VAL 64 CO 0.36 0.57 0.13 -0.83 0.00 0.00 0.00 175.10 175.33 1a4x s GLY 65 N -0.24 2.70 0.00 4.51 0.00 0.49 -4.49 107.32 110.29 1a4x s GLY 65 Ca -0.01 -1.11 -0.24 0.00 0.00 0.00 0.00 44.72 43.37 1a4x s GLY 65 CO 0.03 -1.86 0.53 -1.83 0.00 0.00 0.00 173.10 169.97 1a4x s GLU 66 N -3.69 0.97 -0.15 2.90 -1.05 -0.65 -1.34 118.70 115.69 1a4x s GLU 66 Ca 0.21 -0.06 -0.01 0.00 -0.15 0.00 0.00 54.97 54.96 1a4x s GLU 66 Cb 0.02 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.20 1a4x s GLU 66 CO 0.14 -0.32 -0.02 0.42 0.95 0.00 0.00 175.26 176.43 1a4x s ILE 67 N -1.82 0.77 -0.50 1.83 1.01 -0.18 -1.63 121.20 120.68 1a4x s ILE 67 Ca -0.09 -0.40 -0.16 0.00 0.00 0.00 0.00 60.65 60.01 1a4x s ILE 67 Cb -0.01 -1.01 0.09 0.00 0.01 0.00 0.00 42.46 41.54 1a4x s ILE 67 CO 0.03 0.09 0.45 -0.62 0.00 0.00 0.00 174.94 174.90 1a4x s ASP 68 N 1.78 6.17 0.24 3.58 -1.08 -1.03 -3.15 116.67 123.18 1a4x s ASP 68 Ca 0.02 -1.48 0.11 0.00 -0.52 0.00 0.00 52.55 50.68 1a4x s ASP 68 Cb -0.15 -2.20 -0.05 0.00 -1.46 0.00 0.00 42.92 39.07 1a4x s ASP 68 CO -0.07 -0.74 -0.19 -0.63 0.52 0.00 0.00 175.17 174.05 1a4x s ILE 69 N 1.69 2.56 0.11 4.11 1.01 -1.26 -2.96 121.20 126.45 1a4x s ILE 69 Ca 0.04 -2.17 -0.10 0.00 0.00 0.00 0.00 60.65 58.41 1a4x s ILE 69 Cb -0.26 -2.30 -0.06 0.00 0.01 0.00 0.00 42.46 39.85 1a4x s ILE 69 CO 0.05 -0.27 0.44 0.28 0.00 0.00 0.00 174.94 175.44 1a4x s THR 70 N -2.12 5.04 0.43 2.92 -1.32 -1.25 -4.28 115.64 115.06 1a4x s THR 70 Ca 0.26 0.50 -0.26 0.00 -1.21 0.00 0.00 61.69 60.99 1a4x s THR 70 Cb -0.06 -3.66 -0.09 0.00 -1.51 0.00 0.00 72.50 67.17 1a4x s THR 70 CO 0.13 0.24 1.37 -0.11 -2.21 0.00 0.00 174.62 174.05 1a4x n LEU 71 N 0.77 4.66 -4.69 9.08 7.94 -1.26 -4.58 117.00 128.92 1a4x n LEU 71 Ca -0.07 1.12 -0.52 0.00 -1.11 0.00 0.00 56.01 55.44 1a4x n LEU 71 Cb 0.52 -1.56 -0.06 0.00 0.53 0.00 0.00 43.42 42.85 1a4x n LEU 71 CO 0.43 -0.34 1.41 0.00 -1.11 0.00 0.00 177.39 177.79 1a4x n TYR 72 N -0.17 2.21 -3.29 1.96 9.36 -1.26 -4.88 117.16 121.09 1a4x n TYR 72 Ca 0.06 0.22 -0.15 0.00 3.32 0.00 0.00 57.90 61.34 1a4x n TYR 72 Cb 0.40 -2.58 0.05 0.00 -0.63 0.00 0.00 39.34 36.59 1a4x n TYR 72 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 1a4x n ARG 73 N 6.02 -1.94 -1.93 2.98 3.00 -1.26 -5.05 116.66 118.49 1a4x n ARG 73 Ca 0.24 0.92 -0.38 0.00 -0.01 0.00 0.00 57.85 58.62 1a4x n ARG 73 Cb 0.23 -5.53 0.03 0.00 0.00 0.00 0.00 32.46 27.18 1a4x n ARG 73 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 1a4x s GLU 84 N -4.38 3.30 0.01 5.56 0.41 -1.26 -5.24 118.70 117.10 1a4x s GLU 84 Ca 0.38 2.09 -0.30 0.00 -0.41 0.00 0.00 54.97 56.73 1a4x s GLU 84 Cb -0.06 -2.29 -0.08 0.00 -1.78 0.00 0.00 34.13 29.92 1a4x s GLU 84 CO 0.76 -1.01 1.81 -2.14 -0.49 0.00 0.00 175.26 174.18 1a4x s PRO 85 N -2.87 4.16 -0.12 0.39 0.02 -1.26 -4.98 135.00 130.34 1a4x s PRO 85 Ca 0.70 2.42 -0.17 0.00 0.02 0.00 0.00 61.00 63.97 1a4x s PRO 85 Cb -0.37 -4.00 -0.04 0.00 0.02 0.00 0.00 34.50 30.11 1a4x s PRO 85 CO 0.43 -0.88 0.42 -0.51 -0.33 0.00 0.00 177.00 176.14 1a4x s LEU 86 N 3.99 4.28 -0.05 -5.54 2.01 -1.26 -4.83 118.68 117.28 1a4x s LEU 86 Ca 0.81 0.74 -0.29 0.00 0.01 0.00 0.00 54.13 55.41 1a4x s LEU 86 Cb -0.39 -2.60 -0.03 0.00 0.01 0.00 0.00 46.19 43.18 1a4x s LEU 86 CO 0.36 0.05 0.93 -0.69 1.01 0.00 0.00 176.35 178.01 1a4x s VAL 87 N 0.46 4.88 -0.15 -1.59 1.01 -1.26 -3.94 120.40 119.80 1a4x s VAL 87 Ca 0.23 1.94 0.19 0.00 0.00 0.00 0.00 61.98 64.34 1a4x s VAL 87 Cb -0.15 -4.27 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 1a4x s VAL 87 CO 0.09 0.13 0.83 0.29 0.00 0.00 0.00 175.10 176.44 1a4x n LYS 88 N 4.23 0.62 0.00 2.72 5.02 -1.16 -5.05 118.16 124.54 1a4x n LYS 88 Ca 0.05 0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.49 1a4x n LYS 88 Cb 0.50 -1.78 0.00 0.00 -0.02 0.00 0.00 35.03 33.73 1a4x n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1a4x n GLY 89 N 1.33 0.56 0.00 0.72 0.00 -1.26 -5.04 105.19 101.49 1a4x n GLY 89 Ca -0.07 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.48 1a4x n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a4x n ALA 90 N -1.10 0.00 0.00 4.61 0.00 -1.26 -2.46 120.51 120.29 1a4x n ALA 90 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1a4x n ALA 90 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1a4x n ALA 90 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1a4x n ASP 91 N -0.54 0.00 -4.10 0.00 -0.08 -0.65 -4.93 116.55 106.25 1a4x n ASP 91 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1a4x n ASP 91 Cb 0.00 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.32 1a4x n ASP 91 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1a4x s ILE 92 N 0.00 2.57 -1.13 5.18 1.01 -1.26 -1.64 121.20 125.93 1a4x s ILE 92 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.93 1a4x s ILE 92 Cb 0.00 -2.60 0.00 0.00 0.01 0.00 0.00 42.46 39.87 1a4x s ILE 92 CO 0.00 -0.22 0.64 -0.81 0.00 0.00 0.00 174.94 174.55 1a4x n PRO 93 N 4.48 0.00 -4.29 2.79 -0.04 -1.26 -4.66 135.00 132.02 1a4x n PRO 93 Ca -0.09 0.20 -0.15 0.00 -0.04 0.00 0.00 63.50 63.41 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 -2.28 0.74 -0.24 0.52 -7.23 -1.26 -5.10 120.40 105.55 1a4x s VAL 94 Ca 0.00 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 57.90 1a4x s VAL 94 Cb 0.00 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.62 1a4x s VAL 94 CO 0.00 -0.30 0.96 -0.62 -0.31 0.00 0.00 175.10 174.83 1a4x s ASP 95 N -3.25 6.99 0.00 4.85 2.15 -1.26 -4.92 116.67 121.23 1a4x s ASP 95 Ca 0.29 1.24 0.18 0.00 0.43 0.00 0.00 52.55 54.69 1a4x s ASP 95 Cb 0.06 -2.50 0.69 0.00 -0.30 0.00 0.00 42.92 40.87 1a4x s ASP 95 CO 0.08 -0.61 1.50 2.30 -0.17 0.00 0.00 175.17 178.26 1a4x n ILE 96 N 5.30 0.23 -1.73 4.11 -5.35 -1.26 -4.90 119.36 115.77 1a4x n ILE 96 Ca 0.10 -0.32 -0.42 0.00 -0.27 0.00 0.00 62.75 61.83 1a4x n ILE 96 Cb 0.47 0.26 -0.03 0.00 -1.74 0.00 0.00 39.64 38.60 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 -1.77 2.78 -1.07 7.28 2.01 -1.26 -1.72 115.64 121.88 1a4x s THR 97 Ca 0.29 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1a4x s THR 97 Cb 0.15 -3.06 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1a4x s THR 97 CO 0.23 -0.00 0.00 0.47 -0.69 0.00 0.00 174.62 174.63 1a4x n ASP 98 N 6.37 -4.14 -4.52 3.53 9.92 -0.04 -4.90 116.55 122.78 1a4x n ASP 98 Ca 0.18 0.22 -0.28 0.00 -0.53 0.00 0.00 54.79 54.38 1a4x n ASP 98 Cb 0.39 -2.67 -0.10 0.00 -0.64 0.00 0.00 41.12 38.10 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 -3.11 1.89 -0.00 -1.24 -1.52 -0.70 -4.44 119.66 110.54 1a4x s GLN 99 Ca 0.00 -1.23 -0.28 0.00 -1.95 0.00 0.00 55.36 51.90 1a4x s GLN 99 Cb 0.00 -2.12 -0.03 0.00 -0.22 0.00 0.00 33.01 30.63 1a4x s GLN 99 CO 0.00 0.46 0.90 0.15 -0.25 0.00 0.00 175.29 176.55 1a4x s LYS 100 N -2.46 4.54 0.03 2.91 1.02 -1.25 -1.31 119.74 123.22 1a4x s LYS 100 Ca 0.21 1.28 0.09 0.00 0.02 0.00 0.00 55.97 57.57 1a4x s LYS 100 Cb -0.10 -3.45 -0.03 0.00 -0.52 0.00 0.00 37.83 33.74 1a4x s LYS 100 CO 0.12 0.01 -0.26 0.08 -0.92 0.00 0.00 175.35 174.39 1a4x s VAL 101 N 0.83 2.13 -0.14 3.17 1.01 -0.21 -1.09 120.40 126.10 1a4x s VAL 101 Ca 0.48 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.14 1a4x s VAL 101 Cb -0.20 -1.80 0.03 0.00 0.00 0.00 0.00 36.38 34.40 1a4x s VAL 101 CO 0.26 0.42 -0.11 -0.63 0.00 0.00 0.00 175.10 175.04 1a4x s ILE 102 N -0.76 1.36 0.25 2.22 1.01 0.25 -0.86 121.20 124.68 1a4x s ILE 102 Ca 0.11 -0.56 -0.29 0.00 0.00 0.00 0.00 60.65 59.91 1a4x s ILE 102 Cb -0.10 -1.35 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 1a4x s ILE 102 CO 0.01 0.37 0.94 -0.76 0.00 0.00 0.00 174.94 175.50 1a4x s LEU 103 N 1.56 4.61 -0.17 2.97 1.43 -0.12 -0.56 118.68 128.40 1a4x s LEU 103 Ca 0.04 1.93 0.01 0.00 -1.03 0.00 0.00 54.13 55.08 1a4x s LEU 103 Cb -0.13 -3.66 0.01 0.00 0.03 0.00 0.00 46.19 42.44 1a4x s LEU 103 CO -0.09 0.13 -0.19 -0.69 0.23 0.00 0.00 176.35 175.74 1a4x s VAL 104 N -1.24 2.23 0.15 -1.59 1.01 -0.03 -0.64 120.40 120.29 1a4x s VAL 104 Ca 0.42 -0.90 0.11 0.00 0.00 0.00 0.00 61.98 61.61 1a4x s VAL 104 Cb -0.25 -1.93 -0.04 0.00 0.00 0.00 0.00 36.38 34.16 1a4x s VAL 104 CO 0.31 0.53 -0.25 -0.62 0.00 0.00 0.00 175.10 175.07 1a4x s ASP 105 N 1.08 3.20 -0.14 3.32 -1.08 -0.28 -1.61 116.67 121.16 1a4x s ASP 105 Ca -0.00 -0.79 -0.25 0.00 -0.52 0.00 0.00 52.55 50.99 1a4x s ASP 105 Cb -0.14 -0.21 -0.25 0.00 -1.46 0.00 0.00 42.92 40.85 1a4x s ASP 105 CO -0.07 0.13 0.64 -2.24 0.52 0.00 0.00 175.17 174.14 1a4x h ASP 106 N 3.64 0.11 -3.24 -0.34 2.03 -1.86 -2.54 116.42 114.22 1a4x h ASP 106 Ca -0.48 -0.86 -0.47 0.00 -0.73 0.00 0.00 57.03 54.48 1a4x h ASP 106 Cb 1.19 -0.04 -0.37 0.00 -0.83 0.00 0.00 39.33 39.28 1a4x h ASP 106 CO 0.43 1.24 -0.78 -0.69 -1.03 0.00 0.00 179.24 178.41 1a4x s VAL 107 N -2.31 0.65 -0.18 4.15 1.01 -1.26 -1.67 120.40 120.79 1a4x s VAL 107 Ca -0.21 -0.06 -0.20 0.00 0.00 0.00 0.00 61.98 61.52 1a4x s VAL 107 Cb 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 36.38 35.61 1a4x s VAL 107 CO 0.70 0.30 0.57 -0.22 0.00 0.00 0.00 175.10 176.45 1a4x s LEU 108 N 1.80 4.17 0.00 3.92 2.96 0.11 -4.95 118.68 126.69 1a4x s LEU 108 Ca 0.04 0.80 0.00 0.00 -0.22 0.00 0.00 54.13 54.74 1a4x s LEU 108 Cb -0.13 -2.81 0.00 0.00 0.50 0.00 0.00 46.19 43.75 1a4x s LEU 108 CO -0.06 -0.20 0.00 0.00 -1.32 0.00 0.00 176.35 174.77 1a4x n TYR 109 N 4.70 0.00 0.18 5.38 9.36 -1.26 -1.83 117.16 133.69 1a4x n TYR 109 Ca -0.03 0.00 0.05 0.00 3.32 0.00 0.00 57.90 61.24 1a4x n TYR 109 Cb 0.50 0.00 0.31 0.00 -0.63 0.00 0.00 39.34 39.52 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 0.86 0.00 2.97 1.35 -1.81 -3.14 112.91 113.15 1a4x h THR 110 Ca 0.00 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 1a4x h THR 110 Cb 0.00 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 1a4x h THR 110 CO 0.00 0.38 0.00 0.61 -0.25 0.00 0.00 175.52 176.26 1a4x n GLY 111 N 0.35 1.38 0.28 5.82 0.00 -1.26 -0.69 105.19 111.06 1a4x n GLY 111 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.17 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 3.18 0.00 0.25 1.61 3.08 -1.97 -0.87 114.38 119.66 1a4x h ARG 112 Ca 0.00 0.00 -0.33 0.00 0.07 0.00 0.00 59.98 59.72 1a4x h ARG 112 Cb 0.00 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.09 1a4x h ARG 112 CO 0.00 0.09 -1.48 1.15 -1.07 0.00 0.00 179.97 178.66 1a4x h THR 113 N 0.00 1.26 -0.97 2.04 2.02 -1.93 -2.66 112.91 112.67 1a4x h THR 113 Ca -0.00 -2.67 0.00 0.00 0.77 0.00 0.00 66.41 64.51 1a4x h THR 113 Cb 0.30 3.03 -0.05 0.00 -1.74 0.00 0.00 68.15 69.69 1a4x h THR 113 CO 0.01 0.81 0.61 0.58 0.37 0.00 0.00 175.52 177.90 1a4x h VAL 114 N 0.11 1.26 -0.17 3.16 2.07 -1.87 0.82 116.25 121.63 1a4x h VAL 114 Ca -0.26 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1a4x h VAL 114 Cb 2.14 -0.13 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1a4x h VAL 114 CO 0.26 0.26 0.09 -0.09 0.02 0.00 0.00 177.57 178.11 1a4x h ARG 115 N 1.33 0.24 -0.85 1.57 2.43 -1.18 0.36 114.38 118.28 1a4x h ARG 115 Ca 0.35 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.47 1a4x h ARG 115 Cb -0.10 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.37 1a4x h ARG 115 CO -0.07 0.27 0.47 0.00 -1.51 0.00 0.00 179.97 179.13 1a4x h ALA 116 N 0.96 1.23 -0.45 2.80 0.00 -1.09 0.00 119.26 122.71 1a4x h ALA 116 Ca 0.06 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.74 1a4x h ALA 116 Cb 0.10 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 1a4x h ALA 116 CO -0.01 0.63 -0.16 0.78 0.00 0.00 0.00 179.25 180.48 1a4x h GLY 117 N 1.20 0.93 0.90 0.00 0.00 -0.31 -2.49 103.07 103.29 1a4x h GLY 117 Ca 0.30 -0.76 -0.03 0.00 0.00 0.00 0.00 47.33 46.84 1a4x h GLY 117 CO -0.05 0.70 0.08 1.98 0.00 0.00 0.00 176.54 179.25 1a4x h MET 118 N 0.76 0.48 -0.49 4.80 -1.53 0.18 -2.41 114.93 116.71 1a4x h MET 118 Ca 0.11 -0.11 0.06 0.00 -3.44 0.00 0.00 59.70 56.32 1a4x h MET 118 Cb 0.69 -0.07 -0.05 0.00 -0.55 0.00 0.00 31.60 31.62 1a4x h MET 118 CO 0.05 0.54 0.21 -0.44 0.14 0.00 0.00 176.91 177.42 1a4x h ASP 119 N 0.33 0.27 0.18 1.39 3.32 -0.83 -1.92 116.42 119.15 1a4x h ASP 119 Ca 0.10 0.04 0.01 0.00 0.02 0.00 0.00 57.03 57.20 1a4x h ASP 119 Cb 0.27 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.80 1a4x h ASP 119 CO -0.00 0.19 -0.25 0.00 -1.72 0.00 0.00 179.24 177.46 1a4x h ALA 120 N 1.30 -0.46 -0.99 3.45 0.00 -1.33 -2.31 119.26 118.91 1a4x h ALA 120 Ca 0.23 -0.06 0.24 0.00 0.00 0.00 0.00 54.91 55.32 1a4x h ALA 120 Cb 0.19 0.38 -0.08 0.00 0.00 0.00 0.00 17.79 18.27 1a4x h ALA 120 CO -0.20 -0.80 0.65 -0.07 0.00 0.00 0.00 179.25 178.83 1a4x h LEU 121 N -0.48 0.45 -1.21 0.00 3.38 -0.86 0.54 115.31 117.13 1a4x h LEU 121 Ca 0.01 0.07 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1a4x h LEU 121 Cb 0.48 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1a4x h LEU 121 CO -0.10 0.13 0.00 0.52 0.09 0.00 0.00 178.44 179.08 1a4x n VAL 122 N -4.58 0.21 0.00 1.22 0.31 -0.82 -2.65 118.33 112.02 1a4x n VAL 122 Ca 0.23 -0.01 0.00 0.00 -0.01 0.00 0.00 64.34 64.55 1a4x n VAL 122 Cb 0.80 -0.60 0.00 0.00 -0.91 0.00 0.00 33.84 33.13 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 0.10 0.00 0.13 4.52 9.92 0.18 -4.82 116.55 126.58 1a4x n ASP 123 Ca 0.00 0.00 -0.22 0.00 -0.53 0.00 0.00 54.79 54.04 1a4x n ASP 123 Cb 0.30 0.00 -0.15 0.00 -0.64 0.00 0.00 41.12 40.63 1a4x n ASP 123 CO 0.00 0.00 0.00 0.58 0.13 0.00 0.00 177.20 177.91 1a4x h VAL 124 N 0.00 1.30 -2.62 2.53 2.07 -1.26 -3.48 116.25 114.78 1a4x h VAL 124 Ca 0.00 -2.77 -0.08 0.00 0.82 0.00 0.00 66.70 64.67 1a4x h VAL 124 Cb 0.00 2.99 -0.02 0.00 -1.52 0.00 0.00 31.29 32.75 1a4x h VAL 124 CO 0.00 0.83 -0.01 0.61 0.02 0.00 0.00 177.57 179.02 1a4x n GLY 125 N 1.69 2.43 2.58 2.17 0.00 -1.08 -4.91 105.19 108.07 1a4x n GLY 125 Ca -0.16 -1.36 -0.28 0.00 0.00 0.00 0.00 46.02 44.23 1a4x n GLY 125 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1a4x s ARG 126 N -2.22 1.42 0.65 1.61 0.52 -1.26 -4.07 118.95 115.60 1a4x s ARG 126 Ca 0.09 -2.47 -0.17 0.00 -0.52 0.00 0.00 55.73 52.67 1a4x s ARG 126 Cb -0.01 -2.12 -0.00 0.00 0.52 0.00 0.00 34.95 33.34 1a4x s ARG 126 CO 0.07 -1.33 1.17 -1.25 0.02 0.00 0.00 175.30 173.97 1a4x s PRO 127 N -0.37 2.72 0.30 3.54 0.04 -1.22 -0.86 135.00 139.16 1a4x s PRO 127 Ca 0.29 1.64 0.03 0.00 0.04 0.00 0.00 61.00 63.00 1a4x s PRO 127 Cb -0.02 -1.92 0.49 0.00 0.04 0.00 0.00 34.50 33.09 1a4x s PRO 127 CO -0.17 -1.36 1.78 0.66 0.04 0.00 0.00 177.00 177.95 1a4x h SER 128 N 0.30 0.47 -5.00 6.66 4.64 -1.41 -3.43 113.55 115.77 1a4x h SER 128 Ca -0.48 -0.13 -0.01 0.00 -0.47 0.00 0.00 61.79 60.70 1a4x h SER 128 Cb 1.28 -0.13 -0.11 0.00 -0.31 0.00 0.00 62.40 63.13 1a4x h SER 128 CO 0.53 0.66 0.21 -0.94 -0.87 0.00 0.00 176.83 176.42 1a4x s SER 129 N -6.79 -0.52 -0.05 4.97 1.04 -1.24 -5.02 113.70 106.09 1a4x s SER 129 Ca -0.07 -0.10 0.01 0.00 0.48 0.00 0.00 55.95 56.27 1a4x s SER 129 Cb 0.14 0.62 0.02 0.00 0.10 0.00 0.00 66.02 66.90 1a4x s SER 129 CO 0.78 -1.03 -0.06 -0.63 0.98 0.00 0.00 173.24 173.28 1a4x s ILE 130 N -3.78 0.64 0.47 -1.02 1.01 -1.25 -1.04 121.20 116.23 1a4x s ILE 130 Ca 0.03 -0.18 0.05 0.00 0.00 0.00 0.00 60.65 60.55 1a4x s ILE 130 Cb -0.02 -0.65 -0.02 0.00 0.01 0.00 0.00 42.46 41.78 1a4x s ILE 130 CO -0.10 0.25 0.15 -1.10 0.00 0.00 0.00 174.94 174.14 1a4x s GLN 131 N 0.93 2.19 -0.06 2.79 -0.21 -0.04 -4.99 119.66 120.27 1a4x s GLN 131 Ca -0.11 -2.09 0.00 0.00 0.02 0.00 0.00 55.36 53.18 1a4x s GLN 131 Cb -0.14 -1.82 0.02 0.00 1.00 0.00 0.00 33.01 32.07 1a4x s GLN 131 CO 0.00 -0.29 -0.04 -1.17 -2.12 0.00 0.00 175.29 171.67 1a4x s LEU 132 N -3.95 1.10 -0.08 2.90 2.96 -1.26 -0.94 118.68 119.41 1a4x s LEU 132 Ca 0.28 -0.14 0.04 0.00 -0.22 0.00 0.00 54.13 54.09 1a4x s LEU 132 Cb 0.03 -0.51 -0.01 0.00 0.50 0.00 0.00 46.19 46.20 1a4x s LEU 132 CO 0.16 -0.10 -0.23 0.00 -1.32 0.00 0.00 176.35 174.86 1a4x s ALA 133 N 1.32 2.25 0.01 5.97 0.00 0.19 -0.12 121.76 131.39 1a4x s ALA 133 Ca -0.05 -1.00 0.02 0.00 0.00 0.00 0.00 51.96 50.94 1a4x s ALA 133 Cb -0.14 -0.81 -0.01 0.00 0.00 0.00 0.00 23.12 22.17 1a4x s ALA 133 CO -0.02 0.36 -0.07 0.14 0.00 0.00 0.00 175.76 176.16 1a4x s VAL 134 N 0.05 0.55 -0.00 0.00 -7.23 0.18 -1.12 120.40 112.82 1a4x s VAL 134 Ca -0.09 -0.55 -0.25 0.00 -1.81 0.00 0.00 61.98 59.28 1a4x s VAL 134 Cb -0.15 -0.51 -0.19 0.00 0.56 0.00 0.00 36.38 36.08 1a4x s VAL 134 CO 0.06 -0.02 1.35 0.25 -0.31 0.00 0.00 175.10 176.43 1a4x h LEU 135 N 5.49 -0.01 -8.25 1.32 5.85 -1.38 -1.47 115.31 116.86 1a4x h LEU 135 Ca -0.31 -0.39 -0.50 0.00 0.84 0.00 0.00 57.88 57.52 1a4x h LEU 135 Cb 1.19 0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.94 1a4x h LEU 135 CO 0.47 0.39 -0.82 -0.69 -0.34 0.00 0.00 178.44 177.45 1a4x s VAL 136 N -4.60 1.20 -0.19 1.05 1.01 -0.67 -0.41 120.40 117.78 1a4x s VAL 136 Ca -0.15 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.16 1a4x s VAL 136 Cb 0.02 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.43 1a4x s VAL 136 CO 0.67 0.32 -0.16 -0.62 0.00 0.00 0.00 175.10 175.30 1a4x s ASP 137 N -0.42 3.26 0.00 3.32 -1.08 -0.56 0.07 116.67 121.26 1a4x s ASP 137 Ca 0.06 -0.75 0.20 0.00 -0.52 0.00 0.00 52.55 51.53 1a4x s ASP 137 Cb -0.06 -1.39 0.28 0.00 -1.46 0.00 0.00 42.92 40.29 1a4x s ASP 137 CO -0.00 -0.06 1.23 -2.11 0.52 0.00 0.00 175.17 174.75 1a4x n ARG 138 N 4.63 2.07 -0.01 4.34 1.85 -0.76 -0.54 116.66 128.24 1a4x n ARG 138 Ca -0.18 -1.93 0.00 0.00 -1.00 0.00 0.00 57.85 54.74 1a4x n ARG 138 Cb 0.48 -1.41 -0.00 0.00 -1.05 0.00 0.00 32.46 30.48 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 1.18 -2.07 2.67 2.89 0.00 -1.25 -4.07 105.19 104.53 1a4x n GLY 139 Ca 0.14 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.60 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 -0.26 -1.54 -1.27 1.61 8.25 -1.26 -4.55 115.22 116.20 1a4x n HIS 140 Ca 0.00 0.51 -0.33 0.00 -0.26 0.00 0.00 57.72 57.64 1a4x n HIS 140 Cb 0.01 -3.32 0.11 0.00 1.12 0.00 0.00 29.99 27.91 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 -5.59 1.95 0.00 -0.41 1.70 -1.19 -4.12 118.95 111.29 1a4x s ARG 141 Ca 0.29 1.62 0.00 0.00 -0.47 0.00 0.00 55.73 57.17 1a4x s ARG 141 Cb -0.13 -1.83 0.00 0.00 -0.57 0.00 0.00 34.95 32.43 1a4x s ARG 141 CO 0.36 -1.95 0.55 0.39 -1.08 0.00 0.00 175.30 173.57 1a4x n GLU 142 N -3.13 0.41 -4.11 3.89 1.02 0.13 -4.94 120.64 113.91 1a4x n GLU 142 Ca 0.12 -0.69 -0.11 0.00 -0.02 0.00 0.00 57.16 56.46 1a4x n GLU 142 Cb 0.51 -0.85 -0.11 0.00 -0.02 0.00 0.00 31.44 30.97 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 -0.28 2.40 -0.65 -4.62 1.43 -1.17 -5.05 118.68 110.74 1a4x s LEU 143 Ca 0.00 -0.81 -0.07 0.00 -1.03 0.00 0.00 54.13 52.22 1a4x s LEU 143 Cb 0.00 -0.07 -0.18 0.00 0.03 0.00 0.00 46.19 45.97 1a4x s LEU 143 CO 0.00 -0.38 3.16 -0.81 0.23 0.00 0.00 176.35 178.56 1a4x n PRO 144 N 0.61 2.54 -4.70 1.29 -0.04 -1.26 -4.83 135.00 128.61 1a4x n PRO 144 Ca -0.17 -1.42 -0.33 0.00 -0.04 0.00 0.00 63.50 61.54 1a4x n PRO 144 Cb 0.58 -2.30 -0.15 0.00 -0.04 0.00 0.00 33.50 31.60 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 1.67 2.98 0.11 0.52 1.01 -1.26 -5.11 121.20 121.12 1a4x s ILE 145 Ca 0.64 -0.68 0.06 0.00 0.00 0.00 0.00 60.65 60.67 1a4x s ILE 145 Cb 0.24 -2.26 -0.04 0.00 0.01 0.00 0.00 42.46 40.42 1a4x s ILE 145 CO -0.02 0.52 -0.15 -0.13 0.00 0.00 0.00 174.94 175.15 1a4x s ARG 146 N 0.49 1.00 0.20 2.79 1.81 -1.26 -4.95 118.95 119.03 1a4x s ARG 146 Ca -0.09 -1.17 -0.26 0.00 -1.72 0.00 0.00 55.73 52.49 1a4x s ARG 146 Cb -0.16 -0.97 -0.08 0.00 -0.45 0.00 0.00 34.95 33.29 1a4x s ARG 146 CO 0.04 0.20 0.81 0.00 -0.68 0.00 0.00 175.30 175.68 1a4x s ALA 147 N -1.82 3.41 -0.23 2.13 0.00 -1.26 -4.75 121.76 119.23 1a4x s ALA 147 Ca 0.06 0.40 0.21 0.00 0.00 0.00 0.00 51.96 52.63 1a4x s ALA 147 Cb -0.07 -3.01 0.03 0.00 0.00 0.00 0.00 23.12 20.07 1a4x s ALA 147 CO 0.03 0.27 1.11 -0.44 0.00 0.00 0.00 175.76 176.74 1a4x h ASP 148 N 4.11 0.00 -3.54 0.00 3.32 -0.91 -3.46 116.42 115.94 1a4x h ASP 148 Ca -0.47 0.00 -0.28 0.00 0.02 0.00 0.00 57.03 56.30 1a4x h ASP 148 Cb 1.20 0.00 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 1a4x h ASP 148 CO 0.66 0.17 -0.71 -0.31 -1.72 0.00 0.00 179.24 177.33 1a4x s TYR 149 N -3.21 0.00 -0.02 4.55 1.51 -0.85 -5.00 117.35 114.33 1a4x s TYR 149 Ca 0.00 0.16 0.02 0.00 -1.01 0.00 0.00 57.07 56.24 1a4x s TYR 149 Cb 0.08 -0.19 0.01 0.00 -0.11 0.00 0.00 41.96 41.76 1a4x s TYR 149 CO 0.77 -0.09 -0.06 0.42 -1.11 0.00 0.00 175.55 175.49 1a4x s ILE 150 N 0.93 0.54 -0.15 2.71 1.01 -1.26 -0.65 121.20 124.34 1a4x s ILE 150 Ca -0.08 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.09 1a4x s ILE 150 Cb -0.11 -0.50 -0.25 0.00 0.01 0.00 0.00 42.46 41.61 1a4x s ILE 150 CO -0.03 0.19 0.65 1.23 0.00 0.00 0.00 174.94 176.98 1a4x h GLY 151 N 6.55 0.01 -5.68 6.18 0.00 -0.26 -3.47 103.07 106.40 1a4x h GLY 151 Ca -0.34 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 46.81 1a4x h GLY 151 CO 0.49 0.02 -0.37 1.25 0.00 0.00 0.00 176.54 177.93 1a4x s LYS 152 N -2.26 0.33 0.01 4.80 2.47 0.45 -4.86 119.74 120.68 1a4x s LYS 152 Ca -0.21 0.61 -0.20 0.00 -1.56 0.00 0.00 55.97 54.60 1a4x s LYS 152 Cb -0.01 0.00 -0.06 0.00 -1.46 0.00 0.00 37.83 36.31 1a4x s LYS 152 CO 0.67 -0.13 0.59 -0.80 0.16 0.00 0.00 175.35 175.84 1a4x s ASN 153 N 1.01 6.99 -0.14 1.43 -0.87 -1.26 -1.50 114.94 120.61 1a4x s ASN 153 Ca -0.07 1.18 -0.01 0.00 -1.57 0.00 0.00 52.86 52.39 1a4x s ASN 153 Cb -0.07 -2.36 0.04 0.00 -0.02 0.00 0.00 41.25 38.83 1a4x s ASN 153 CO -0.08 0.13 -0.01 -0.63 -2.57 0.00 0.00 177.10 173.95 1a4x s ILE 154 N -0.36 0.68 0.09 0.60 -1.09 0.30 -4.93 121.20 116.48 1a4x s ILE 154 Ca 0.31 -0.34 -0.31 0.00 -2.23 0.00 0.00 60.65 58.08 1a4x s ILE 154 Cb -0.18 -0.95 -0.06 0.00 -1.58 0.00 0.00 42.46 39.69 1a4x s ILE 154 CO 0.18 0.08 1.22 -2.16 -1.23 0.00 0.00 174.94 173.03 1a4x s PRO 155 N 1.82 4.43 0.24 2.79 0.04 -1.26 -4.20 135.00 138.86 1a4x s PRO 155 Ca 0.02 1.83 0.01 0.00 0.04 0.00 0.00 61.00 62.89 1a4x s PRO 155 Cb -0.15 -3.32 -0.05 0.00 0.04 0.00 0.00 34.50 31.03 1a4x s PRO 155 CO -0.07 -0.25 0.10 0.95 0.04 0.00 0.00 177.00 177.77 1a4x s THR 156 N 0.88 0.45 0.42 1.26 -4.23 -1.26 -5.11 115.64 108.07 1a4x s THR 156 Ca 0.59 -2.00 0.08 0.00 -1.18 0.00 0.00 61.69 59.18 1a4x s THR 156 Cb -0.31 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 70.94 1a4x s THR 156 CO 0.30 -0.02 0.53 -0.94 -0.54 0.00 0.00 174.62 173.95 1a4x s SER 157 N -3.28 5.48 0.31 3.99 1.04 -1.26 -5.02 113.70 114.96 1a4x s SER 157 Ca 0.37 -0.52 0.04 0.00 0.48 0.00 0.00 55.95 56.33 1a4x s SER 157 Cb 0.08 -0.60 0.53 0.00 0.10 0.00 0.00 66.02 66.12 1a4x s SER 157 CO 0.13 -0.75 1.80 0.11 0.98 0.00 0.00 173.24 175.50 1a4x h LYS 158 N 0.72 0.45 0.00 4.02 1.57 -2.01 -2.99 116.57 118.34 1a4x h LYS 158 Ca -0.40 -0.14 0.00 0.00 -1.87 0.00 0.00 60.65 58.24 1a4x h LYS 158 Cb 1.28 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.54 1a4x h LYS 158 CO 0.48 0.60 0.00 -1.13 -0.57 0.00 0.00 179.45 178.83 1a4x n SER 159 N -4.19 0.49 -4.82 0.86 3.41 -1.26 -4.85 113.62 103.26 1a4x n SER 159 Ca 0.00 0.57 -0.33 0.00 -0.26 0.00 0.00 58.87 58.85 1a4x n SER 159 Cb 0.34 -0.69 -0.03 0.00 -0.26 0.00 0.00 64.21 63.57 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 3.85 -0.04 4.33 2.02 -1.13 -3.59 118.70 121.03 1a4x s GLU 160 Ca 0.10 1.09 0.06 0.00 0.02 0.00 0.00 54.97 56.23 1a4x s GLU 160 Cb 0.13 -2.12 -0.01 0.00 0.10 0.00 0.00 34.13 32.23 1a4x s GLU 160 CO 0.50 -0.36 -0.21 0.15 0.02 0.00 0.00 175.26 175.36 1a4x s LYS 161 N -3.82 2.00 -0.09 1.61 1.02 0.15 -4.90 119.74 115.71 1a4x s LYS 161 Ca 0.61 -0.75 0.02 0.00 0.02 0.00 0.00 55.97 55.87 1a4x s LYS 161 Cb -0.12 -1.78 -0.02 0.00 -0.52 0.00 0.00 37.83 35.39 1a4x s LYS 161 CO 0.28 0.36 -0.16 0.08 -0.92 0.00 0.00 175.35 174.99 1a4x s VAL 162 N -0.21 2.80 -0.03 3.17 1.01 -1.26 -0.07 120.40 125.81 1a4x s VAL 162 Ca 0.00 -0.78 0.01 0.00 0.00 0.00 0.00 61.98 61.22 1a4x s VAL 162 Cb -0.11 -2.12 0.01 0.00 0.00 0.00 0.00 36.38 34.16 1a4x s VAL 162 CO 0.02 0.55 -0.05 -0.32 0.00 0.00 0.00 175.10 175.30 1a4x s MET 163 N -0.03 0.69 -0.05 2.72 0.00 -0.11 -4.99 119.30 117.52 1a4x s MET 163 Ca -0.05 -0.15 -0.11 0.00 0.00 0.00 0.00 55.69 55.38 1a4x s MET 163 Cb -0.14 -0.69 -0.05 0.00 0.00 0.00 0.00 34.83 33.95 1a4x s MET 163 CO 0.04 0.01 0.29 0.08 0.00 0.00 0.00 175.02 175.44 1a4x s VAL 164 N 0.49 5.23 -0.08 10.11 1.01 -1.26 -1.11 120.40 134.80 1a4x s VAL 164 Ca -0.06 0.57 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1a4x s VAL 164 Cb -0.10 -3.58 0.01 0.00 0.00 0.00 0.00 36.38 32.71 1a4x s VAL 164 CO -0.00 0.59 -0.14 -1.10 0.00 0.00 0.00 175.10 174.45 1a4x s GLN 165 N -1.02 1.98 0.05 2.72 -1.52 0.39 -5.00 119.66 117.26 1a4x s GLN 165 Ca 0.20 -0.50 0.08 0.00 -1.95 0.00 0.00 55.36 53.19 1a4x s GLN 165 Cb -0.15 -1.63 -0.03 0.00 -0.22 0.00 0.00 33.01 30.99 1a4x s GLN 165 CO 0.09 0.02 -0.23 -0.51 -0.25 0.00 0.00 175.29 174.41 1a4x s LEU 166 N 0.72 2.18 0.17 2.90 1.43 -1.14 -0.93 118.68 124.00 1a4x s LEU 166 Ca -0.13 -0.56 0.19 0.00 -1.03 0.00 0.00 54.13 52.60 1a4x s LEU 166 Cb -0.16 -1.10 0.82 0.00 0.03 0.00 0.00 46.19 45.78 1a4x s LEU 166 CO 0.03 0.20 1.58 -0.90 0.23 0.00 0.00 176.35 177.49 1a4x n ASP 167 N 1.77 0.41 0.20 2.29 5.68 -1.21 0.00 116.55 125.68 1a4x n ASP 167 Ca -0.17 0.61 0.14 0.00 -0.50 0.00 0.00 54.79 54.87 1a4x n ASP 167 Cb 0.53 -0.69 0.51 0.00 -1.14 0.00 0.00 41.12 40.32 1a4x n ASP 167 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1a4x h GLU 168 N 0.00 0.00 0.00 0.11 3.07 -1.96 -3.36 114.58 112.44 1a4x h GLU 168 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1a4x h GLU 168 Cb 0.26 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.17 1a4x h GLU 168 CO 0.00 0.00 -0.10 1.55 -1.40 0.00 0.00 179.01 179.06 1a4x n VAL 169 N -2.69 0.00 -4.39 3.13 3.14 -0.81 -5.10 118.33 111.61 1a4x n VAL 169 Ca 0.02 -0.01 -0.18 0.00 -2.96 0.00 0.00 64.34 61.22 1a4x n VAL 169 Cb 0.33 0.20 -0.04 0.00 -1.06 0.00 0.00 33.84 33.27 1a4x n VAL 169 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 1a4x n ASP 170 N -0.17 2.36 -0.07 6.55 8.00 0.10 -5.01 116.55 128.31 1a4x n ASP 170 Ca 0.00 -2.26 -0.13 0.00 0.71 0.00 0.00 54.79 53.11 1a4x n ASP 170 Cb 0.00 0.30 -0.06 0.00 -0.02 0.00 0.00 41.12 41.34 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 0.46 -4.94 -1.24 4.15 -1.87 -3.38 115.11 108.30 1a4x h GLN 171 Ca -0.23 -0.23 -0.48 0.00 0.77 0.00 0.00 58.65 58.49 1a4x h GLN 171 Cb 0.72 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 28.28 1a4x h GLN 171 CO 0.37 0.79 -0.52 -0.80 -1.93 0.00 0.00 178.83 176.74 1a4x s ASN 172 N -6.22 1.99 -0.34 -0.69 0.02 -1.26 -4.81 114.94 103.64 1a4x s ASN 172 Ca -0.14 -1.65 -0.11 0.00 -1.02 0.00 0.00 52.86 49.95 1a4x s ASN 172 Cb 0.06 0.48 0.00 0.00 0.02 0.00 0.00 41.25 41.81 1a4x s ASN 172 CO 0.77 -0.95 0.18 -1.81 0.02 0.00 0.00 177.10 175.32 1a4x s ASP 173 N -3.45 5.69 0.03 -1.22 1.11 -1.26 -2.90 116.67 114.66 1a4x s ASP 173 Ca 0.33 -0.65 -0.28 0.00 0.18 0.00 0.00 52.55 52.13 1a4x s ASP 173 Cb 0.03 -2.03 0.09 0.00 1.07 0.00 0.00 42.92 42.09 1a4x s ASP 173 CO 0.19 -0.26 0.93 -1.48 1.18 0.00 0.00 175.17 175.73 1a4x s LEU 174 N 1.61 -0.30 -0.08 1.23 0.05 -0.10 -2.64 118.68 118.45 1a4x s LEU 174 Ca 0.04 -0.11 0.03 0.00 0.05 0.00 0.00 54.13 54.14 1a4x s LEU 174 Cb -0.18 2.02 0.01 0.00 -2.05 0.00 0.00 46.19 45.99 1a4x s LEU 174 CO 0.07 -0.67 -0.17 -0.69 -0.55 0.00 0.00 176.35 174.34 1a4x s VAL 175 N -3.12 1.49 0.20 1.48 1.01 -0.40 -0.46 120.40 120.60 1a4x s VAL 175 Ca 0.07 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.45 1a4x s VAL 175 Cb -0.01 -1.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.01 1a4x s VAL 175 CO -0.06 0.43 -0.16 0.00 0.00 0.00 0.00 175.10 175.32 1a4x s ALA 176 N 0.51 2.10 -0.03 5.51 0.00 -0.26 -0.84 121.76 128.74 1a4x s ALA 176 Ca -0.16 -1.65 0.05 0.00 0.00 0.00 0.00 51.96 50.21 1a4x s ALA 176 Cb -0.16 -0.13 -0.01 0.00 0.00 0.00 0.00 23.12 22.82 1a4x s ALA 176 CO 0.06 0.13 -0.20 -1.50 0.00 0.00 0.00 175.76 174.25 1a4x s ILE 177 N -2.71 1.59 0.05 0.00 2.07 0.02 -0.94 121.20 121.29 1a4x s ILE 177 Ca 0.22 -0.83 0.08 0.00 -1.41 0.00 0.00 60.65 58.70 1a4x s ILE 177 Cb -0.02 -1.34 -0.03 0.00 0.13 0.00 0.00 42.46 41.20 1a4x s ILE 177 CO 0.08 0.45 -0.21 -0.31 -1.91 0.00 0.00 174.94 173.04 1a4x s TYR 178 N -0.23 1.85 0.38 3.50 1.51 0.90 -2.36 117.35 122.91 1a4x s TYR 178 Ca 0.02 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 55.72 1a4x s TYR 178 Cb -0.10 -1.09 -0.01 0.00 -0.11 0.00 0.00 41.96 40.65 1a4x s TYR 178 CO 0.01 0.12 0.56 -1.21 -1.11 0.00 0.00 175.55 173.92 1a4x s GLU 179 N -1.31 3.20 0.00 -0.62 0.41 -1.26 -0.68 118.70 118.44 1a4x s GLU 179 Ca 0.08 -0.63 0.00 0.00 -0.41 0.00 0.00 54.97 54.01 1a4x s GLU 179 Cb -0.09 -2.68 0.00 0.00 -1.78 0.00 0.00 34.13 29.58 1a4x s GLU 179 CO 0.02 -0.03 0.00 0.09 -0.49 0.00 0.00 175.26 174.86