#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p4x n LYS 2 N 0.00 0.49 -2.31 2.12 2.85 -1.26 -4.92 118.16 115.13 1p4x n LYS 2 Ca 0.00 -2.33 -0.39 0.00 -1.05 0.00 0.00 58.31 54.54 1p4x n LYS 2 Cb 0.00 1.58 -0.03 0.00 -0.65 0.00 0.00 35.03 35.93 1p4x n LYS 2 CO 0.00 0.00 0.00 -0.47 -0.05 0.00 0.00 177.40 176.88 1p4x s TYR 3 N -2.76 2.01 -0.58 5.58 6.14 -1.26 -4.86 117.35 121.62 1p4x s TYR 3 Ca 0.21 0.28 -0.07 0.00 0.64 0.00 0.00 57.07 58.13 1p4x s TYR 3 Cb 0.01 -4.38 -0.19 0.00 0.42 0.00 0.00 41.96 37.82 1p4x s TYR 3 CO 0.15 -2.15 3.35 0.09 0.64 0.00 0.00 175.55 177.63 1p4x n ASN 4 N 10.99 6.50 -3.70 4.32 3.02 -1.26 -4.82 115.26 130.30 1p4x n ASN 4 Ca 0.14 -2.56 -0.13 0.00 -0.03 0.00 0.00 54.58 52.00 1p4x n ASN 4 Cb 0.50 -1.46 -0.09 0.00 -0.61 0.00 0.00 39.78 38.12 1p4x n ASN 4 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1p4x s ASN 5 N 1.95 -0.52 -0.95 6.41 0.01 -1.26 -5.02 114.94 115.55 1p4x s ASN 5 Ca 0.67 1.00 -0.01 0.00 -0.71 0.00 0.00 52.86 53.81 1p4x s ASN 5 Cb 0.27 1.01 0.33 0.00 0.41 0.00 0.00 41.25 43.27 1p4x s ASN 5 CO -0.03 -0.17 1.84 1.41 -1.51 0.00 0.00 177.10 178.64 1p4x n HIS 6 N 2.86 2.89 -3.38 2.20 8.25 -1.26 -4.60 115.22 122.17 1p4x n HIS 6 Ca -0.14 -2.55 -0.07 0.00 -0.26 0.00 0.00 57.72 54.70 1p4x n HIS 6 Cb 0.57 -1.15 0.01 0.00 1.12 0.00 0.00 29.99 30.53 1p4x n HIS 6 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1p4x n ASP 7 N -0.21 1.19 0.23 0.41 3.85 -1.26 -5.00 116.55 115.77 1p4x n ASP 7 Ca 0.48 -1.54 0.11 0.00 -0.71 0.00 0.00 54.79 53.13 1p4x n ASP 7 Cb 0.26 -0.06 0.51 0.00 -1.35 0.00 0.00 41.12 40.49 1p4x n ASP 7 CO 0.00 0.00 0.00 0.11 -1.01 0.00 0.00 177.20 176.30 1p4x h LYS 8 N 0.00 0.00 -0.53 0.11 1.57 -1.94 -2.61 116.57 113.18 1p4x h LYS 8 Ca -0.10 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1p4x h LYS 8 Cb 0.39 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 1p4x h LYS 8 CO 0.15 0.19 -0.04 0.82 -0.57 0.00 0.00 179.45 180.00 1p4x h ILE 9 N 0.00 1.27 -0.81 1.86 2.04 -1.95 -1.66 117.51 118.25 1p4x h ILE 9 Ca -0.00 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.68 1p4x h ILE 9 Cb 0.68 0.96 -0.04 0.00 -0.74 0.00 0.00 36.82 37.68 1p4x h ILE 9 CO 0.02 0.41 0.44 -0.09 0.00 0.00 0.00 178.15 178.93 1p4x h ARG 10 N 0.82 1.13 0.03 2.37 2.43 -1.72 -1.20 114.38 118.25 1p4x h ARG 10 Ca 0.14 -0.13 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 1p4x h ARG 10 Cb 0.58 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.89 1p4x h ARG 10 CO 0.03 0.83 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.76 1p4x h ASP 11 N 1.14 -0.37 0.02 -3.80 3.32 -1.17 -1.20 116.42 114.37 1p4x h ASP 11 Ca 0.29 0.05 0.02 0.00 0.02 0.00 0.00 57.03 57.41 1p4x h ASP 11 Cb 0.03 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 1p4x h ASP 11 CO -0.05 -0.19 -0.13 0.15 -1.72 0.00 0.00 179.24 177.31 1p4x h PHE 12 N -0.23 -0.33 -0.31 4.55 3.57 -0.75 -0.56 116.94 122.87 1p4x h PHE 12 Ca 0.04 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.61 1p4x h PHE 12 Cb 0.27 0.14 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 1p4x h PHE 12 CO -0.17 -0.19 -0.13 0.82 -2.23 0.00 0.00 178.31 176.41 1p4x h ILE 13 N -0.23 0.59 -0.07 1.41 2.04 -1.05 0.34 117.51 120.54 1p4x h ILE 13 Ca 0.04 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.90 1p4x h ILE 13 Cb 0.27 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1p4x h ILE 13 CO -0.11 0.00 0.04 0.40 0.00 0.00 0.00 178.15 178.47 1p4x h ILE 14 N -0.07 1.00 -0.39 -0.67 2.04 -0.99 -1.99 117.51 116.45 1p4x h ILE 14 Ca 0.16 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.94 1p4x h ILE 14 Cb 0.31 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 1p4x h ILE 14 CO -0.36 0.01 0.05 0.40 0.00 0.00 0.00 178.15 178.26 1p4x h ILE 15 N 0.08 1.24 -0.62 -0.67 2.04 -0.61 -0.73 117.51 118.24 1p4x h ILE 15 Ca 0.03 -0.88 0.06 0.00 1.00 0.00 0.00 64.86 65.06 1p4x h ILE 15 Cb 0.00 1.07 -0.05 0.00 -0.74 0.00 0.00 36.82 37.10 1p4x h ILE 15 CO -0.02 0.30 0.33 -0.08 0.00 0.00 0.00 178.15 178.68 1p4x h GLU 16 N 0.49 0.60 -0.53 2.37 4.57 -0.26 0.12 114.58 121.94 1p4x h GLU 16 Ca 0.12 -0.04 -0.05 0.00 -1.18 0.00 0.00 59.36 58.21 1p4x h GLU 16 Cb 0.38 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.82 1p4x h GLU 16 CO 0.01 0.40 0.13 0.00 -1.18 0.00 0.00 179.01 178.37 1p4x h ALA 17 N 1.33 0.70 -0.43 2.92 0.00 -1.21 -1.95 119.26 120.62 1p4x h ALA 17 Ca 0.28 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.98 1p4x h ALA 17 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1p4x h ALA 17 CO -0.18 0.39 0.28 -0.92 0.00 0.00 0.00 179.25 178.81 1p4x h TYR 18 N 0.74 0.52 -0.42 0.00 3.20 -0.24 -2.03 116.97 118.74 1p4x h TYR 18 Ca 0.17 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.03 1p4x h TYR 18 Cb 0.33 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1p4x h TYR 18 CO 0.02 0.32 0.18 0.52 -1.64 0.00 0.00 178.16 177.56 1p4x h MET 19 N 0.56 0.58 0.01 1.82 2.86 -0.58 0.03 114.93 120.22 1p4x h MET 19 Ca 0.16 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.73 1p4x h MET 19 Cb -0.05 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 31.50 1p4x h MET 19 CO -0.04 0.48 -0.01 0.35 1.06 0.00 0.00 176.91 178.75 1p4x h PHE 20 N 0.59 -0.01 -0.74 -0.22 3.57 -0.87 -0.92 116.94 118.34 1p4x h PHE 20 Ca 0.15 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 1p4x h PHE 20 Cb 0.10 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 1p4x h PHE 20 CO 0.01 0.20 0.42 0.00 -2.23 0.00 0.00 178.31 176.71 1p4x h ARG 21 N -0.23 1.01 0.37 1.11 3.08 -0.92 -1.34 114.38 117.47 1p4x h ARG 21 Ca -0.00 -0.11 -0.02 0.00 0.07 0.00 0.00 59.98 59.93 1p4x h ARG 21 Cb 0.22 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1p4x h ARG 21 CO 0.00 0.74 -0.20 0.35 -1.07 0.00 0.00 179.97 179.79 1p4x h PHE 22 N 1.01 -0.52 -0.19 3.04 3.57 -0.91 -2.25 116.94 120.69 1p4x h PHE 22 Ca 0.26 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.81 1p4x h PHE 22 Cb 0.00 0.18 -0.06 0.00 2.79 0.00 0.00 35.95 38.86 1p4x h PHE 22 CO -0.01 -0.32 -0.21 -0.22 -2.23 0.00 0.00 178.31 175.33 1p4x h LYS 23 N -0.53 -0.22 -0.50 1.11 1.63 -0.97 -0.09 116.57 116.99 1p4x h LYS 23 Ca -0.05 0.02 0.10 0.00 -0.85 0.00 0.00 60.65 59.87 1p4x h LYS 23 Cb 0.42 0.05 -0.10 0.00 -0.60 0.00 0.00 32.23 32.00 1p4x h LYS 23 CO 0.06 -0.15 -0.22 -0.22 -3.45 0.00 0.00 179.45 175.48 1p4x h LYS 24 N -0.23 -0.10 0.11 1.90 3.64 -1.10 0.01 116.57 120.79 1p4x h LYS 24 Ca 0.12 0.01 -0.28 0.00 -1.27 0.00 0.00 60.65 59.23 1p4x h LYS 24 Cb 0.41 0.02 0.02 0.00 -0.41 0.00 0.00 32.23 32.27 1p4x h LYS 24 CO -0.33 -0.07 -1.19 -0.22 -2.27 0.00 0.00 179.45 175.38 1p4x h LYS 25 N -0.11 0.47 0.11 1.90 3.64 -1.16 -3.41 116.57 118.02 1p4x h LYS 25 Ca 0.23 -0.65 -0.29 0.00 -1.27 0.00 0.00 60.65 58.68 1p4x h LYS 25 Cb 0.47 0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1p4x h LYS 25 CO -0.57 1.27 -1.49 0.28 -2.27 0.00 0.00 179.45 176.68 1p4x h VAL 26 N 0.20 0.96 -1.01 2.00 2.07 -0.83 -3.38 116.25 116.25 1p4x h VAL 26 Ca -0.15 -2.37 0.23 0.00 0.82 0.00 0.00 66.70 65.23 1p4x h VAL 26 Cb 1.87 2.64 -0.11 0.00 -1.52 0.00 0.00 31.29 34.17 1p4x h VAL 26 CO 0.21 0.70 0.62 0.50 0.02 0.00 0.00 177.57 179.63 1p4x h LYS 27 N -0.30 0.55 0.00 1.57 3.64 -1.18 -0.36 116.57 120.49 1p4x h LYS 27 Ca -0.33 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 58.95 1p4x h LYS 27 Cb 1.77 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 33.45 1p4x h LYS 27 CO 0.04 0.36 -0.31 -1.35 -2.27 0.00 0.00 179.45 175.92 1p4x h PRO 28 N 0.57 0.00 0.00 1.90 0.11 -1.78 -3.26 132.00 129.55 1p4x h PRO 28 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 1p4x h PRO 28 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1p4x h PRO 28 CO -0.38 0.31 -0.77 0.39 -0.21 0.00 0.00 178.00 177.34 1p4x n GLU 29 N -3.39 0.03 -4.64 1.05 -0.58 -0.21 -4.93 120.64 107.98 1p4x n GLU 29 Ca 0.00 -0.00 -0.24 0.00 -0.42 0.00 0.00 57.16 56.50 1p4x n GLU 29 Cb 0.51 -1.51 -0.14 0.00 -0.57 0.00 0.00 31.44 29.73 1p4x n GLU 29 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 1p4x s VAL 30 N -3.02 1.46 -0.32 2.62 1.01 -0.83 -5.04 120.40 116.27 1p4x s VAL 30 Ca 0.09 -1.02 0.22 0.00 0.00 0.00 0.00 61.98 61.27 1p4x s VAL 30 Cb 0.17 -1.26 0.16 0.00 0.00 0.00 0.00 36.38 35.45 1p4x s VAL 30 CO 0.78 0.22 1.33 0.44 0.00 0.00 0.00 175.10 177.87 1p4x h ASP 31 N 5.14 0.00 -3.34 3.32 3.32 -1.91 -3.45 116.42 119.50 1p4x h ASP 31 Ca -0.40 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.09 1p4x h ASP 31 Cb 1.16 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.65 1p4x h ASP 31 CO 0.45 0.05 0.01 -0.32 -1.72 0.00 0.00 179.24 177.72 1p4x s MET 32 N -3.25 4.38 0.76 3.56 1.75 -1.26 -5.04 119.30 120.20 1p4x s MET 32 Ca 0.03 0.76 -0.11 0.00 -1.25 0.00 0.00 55.69 55.12 1p4x s MET 32 Cb 0.07 -3.40 0.05 0.00 2.84 0.00 0.00 34.83 34.39 1p4x s MET 32 CO 0.73 0.20 1.10 0.95 -0.65 0.00 0.00 175.02 177.35 1p4x s THR 33 N 0.36 3.21 0.20 10.11 -4.23 -1.26 -4.86 115.64 119.18 1p4x s THR 33 Ca 0.33 0.42 -0.09 0.00 -1.18 0.00 0.00 61.69 61.17 1p4x s THR 33 Cb -0.18 -2.88 0.14 0.00 1.34 0.00 0.00 72.50 70.92 1p4x s THR 33 CO 0.17 -0.49 1.77 0.40 -0.54 0.00 0.00 174.62 175.93 1p4x h ILE 34 N -0.99 1.25 -0.81 2.99 2.04 -1.97 -1.38 117.51 118.64 1p4x h ILE 34 Ca -0.44 -0.78 -0.00 0.00 1.00 0.00 0.00 64.86 64.64 1p4x h ILE 34 Cb 1.24 0.37 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1p4x h ILE 34 CO 0.51 0.32 0.50 0.50 0.00 0.00 0.00 178.15 179.98 1p4x h LYS 35 N 1.07 1.09 -0.67 2.37 3.64 -1.99 -0.79 116.57 121.29 1p4x h LYS 35 Ca 0.25 -0.09 -0.06 0.00 -1.27 0.00 0.00 60.65 59.48 1p4x h LYS 35 Cb 0.20 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.76 1p4x h LYS 35 CO -0.02 0.75 0.18 0.93 -2.27 0.00 0.00 179.45 179.02 1p4x h GLU 36 N 1.11 1.05 -0.27 1.90 5.08 -1.75 -1.27 114.58 120.44 1p4x h GLU 36 Ca 0.29 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.35 1p4x h GLU 36 Cb -0.07 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.02 1p4x h GLU 36 CO -0.06 0.93 -0.08 0.74 -1.00 0.00 0.00 179.01 179.54 1p4x h PHE 37 N 0.98 0.46 -0.09 4.33 0.04 -0.43 -2.46 116.94 119.77 1p4x h PHE 37 Ca 0.21 -0.06 -0.19 0.00 2.80 0.00 0.00 57.97 60.74 1p4x h PHE 37 Cb 0.33 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 38.35 1p4x h PHE 37 CO 0.03 0.52 -0.72 0.82 -0.60 0.00 0.00 178.31 178.36 1p4x h ILE 38 N 0.42 1.37 -0.32 -0.55 2.04 -0.72 -1.89 117.51 117.86 1p4x h ILE 38 Ca 0.08 -2.10 -0.05 0.00 1.00 0.00 0.00 64.86 63.80 1p4x h ILE 38 Cb 0.40 2.08 -0.01 0.00 -0.74 0.00 0.00 36.82 38.55 1p4x h ILE 38 CO 0.02 0.64 0.02 -0.07 0.00 0.00 0.00 178.15 178.76 1p4x h LEU 39 N 0.31 0.53 -0.94 1.44 3.38 -1.08 -1.16 115.31 117.79 1p4x h LEU 39 Ca -0.03 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.59 1p4x h LEU 39 Cb 1.30 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.88 1p4x h LEU 39 CO 0.13 0.69 0.10 -0.07 0.09 0.00 0.00 178.44 179.38 1p4x h LEU 40 N 0.36 0.83 -0.28 1.67 3.38 -1.44 -0.60 115.31 119.23 1p4x h LEU 40 Ca 0.09 -0.17 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1p4x h LEU 40 Cb 0.40 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 1p4x h LEU 40 CO 0.01 0.83 0.10 0.74 0.09 0.00 0.00 178.44 180.21 1p4x h THR 41 N 0.84 1.19 0.14 0.22 2.02 -1.12 -0.84 112.91 115.36 1p4x h THR 41 Ca 0.18 -0.59 0.01 0.00 0.77 0.00 0.00 66.41 66.78 1p4x h THR 41 Cb 0.35 1.04 -0.03 0.00 -1.74 0.00 0.00 68.15 67.78 1p4x h THR 41 CO 0.00 0.20 -0.23 0.22 0.37 0.00 0.00 175.52 176.08 1p4x h TYR 42 N 0.30 -0.62 -0.26 3.16 3.20 -0.84 -2.43 116.97 119.49 1p4x h TYR 42 Ca 0.09 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.00 1p4x h TYR 42 Cb 0.21 0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.72 1p4x h TYR 42 CO -0.00 -0.33 0.17 -0.07 -1.64 0.00 0.00 178.16 176.29 1p4x h LEU 43 N -0.45 0.19 -0.25 2.82 3.38 -0.95 -2.48 115.31 117.58 1p4x h LEU 43 Ca 0.02 -0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 1p4x h LEU 43 Cb 0.46 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 1p4x h LEU 43 CO -0.11 0.13 -0.36 0.15 0.09 0.00 0.00 178.44 178.34 1p4x h PHE 44 N 0.22 0.84 -0.18 1.13 3.57 -0.82 -3.36 116.94 118.35 1p4x h PHE 44 Ca 0.11 -0.28 -0.65 0.00 3.53 0.00 0.00 57.97 60.68 1p4x h PHE 44 Cb 0.15 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 38.72 1p4x h PHE 44 CO -0.00 1.04 3.35 0.72 -2.23 0.00 0.00 178.31 181.19 1p4x n HIS 45 N -4.23 2.29 -3.60 0.41 8.25 -0.93 -4.79 115.22 112.61 1p4x n HIS 45 Ca -0.05 -2.95 0.01 0.00 -0.26 0.00 0.00 57.72 54.48 1p4x n HIS 45 Cb 0.51 -2.33 -0.06 0.00 1.12 0.00 0.00 29.99 29.23 1p4x n HIS 45 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 1p4x s GLN 46 N 1.55 0.16 0.23 -0.41 -2.07 -1.26 -5.01 119.66 112.86 1p4x s GLN 46 Ca 0.67 0.29 -0.06 0.00 -1.82 0.00 0.00 55.36 54.45 1p4x s GLN 46 Cb 0.19 0.06 0.40 0.00 -1.09 0.00 0.00 33.01 32.56 1p4x s GLN 46 CO -0.06 -0.04 1.76 -0.56 -1.32 0.00 0.00 175.29 175.07 1p4x h GLN 47 N 5.70 0.51 -6.93 9.60 -0.00 -1.92 -3.44 115.11 118.63 1p4x h GLN 47 Ca -0.25 -0.03 -0.55 0.00 -0.00 0.00 0.00 58.65 57.82 1p4x h GLN 47 Cb 1.16 -0.12 0.12 0.00 -0.00 0.00 0.00 27.48 28.64 1p4x h GLN 47 CO 0.20 0.34 0.70 0.39 -0.00 0.00 0.00 178.83 180.46 1p4x n GLU 48 N -4.93 2.42 -0.06 0.06 4.71 -1.26 -4.84 120.64 116.74 1p4x n GLU 48 Ca 0.13 0.85 0.11 0.00 -0.01 0.00 0.00 57.16 58.24 1p4x n GLU 48 Cb 0.34 -2.61 0.41 0.00 -1.01 0.00 0.00 31.44 28.57 1p4x n GLU 48 CO 0.00 0.00 0.00 0.09 0.09 0.00 0.00 177.13 177.31 1p4x n ASN 49 N 0.22 1.59 -3.68 1.62 4.13 -1.26 -4.80 115.26 113.07 1p4x n ASN 49 Ca 0.03 -1.66 -0.12 0.00 1.68 0.00 0.00 54.58 54.51 1p4x n ASN 49 Cb 0.40 -0.08 -0.09 0.00 -1.54 0.00 0.00 39.78 38.46 1p4x n ASN 49 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1p4x s THR 50 N -1.83 -0.01 0.06 3.41 -1.32 -1.26 0.48 115.64 115.18 1p4x s THR 50 Ca 0.33 0.02 -0.08 0.00 -1.21 0.00 0.00 61.69 60.75 1p4x s THR 50 Cb 0.18 -0.77 -0.00 0.00 -1.51 0.00 0.00 72.50 70.40 1p4x s THR 50 CO 0.27 0.01 0.16 -1.48 -2.21 0.00 0.00 174.62 171.38 1p4x s LEU 51 N 0.76 1.53 0.25 9.08 0.05 -0.33 -4.99 118.68 125.03 1p4x s LEU 51 Ca -0.04 -0.58 -0.30 0.00 0.05 0.00 0.00 54.13 53.27 1p4x s LEU 51 Cb -0.05 0.90 -0.09 0.00 -2.05 0.00 0.00 46.19 44.90 1p4x s LEU 51 CO -0.06 -0.64 0.99 -2.16 -0.55 0.00 0.00 176.35 173.93 1p4x s PRO 52 N -3.32 4.79 0.22 1.48 0.04 -1.26 -0.35 135.00 136.60 1p4x s PRO 52 Ca 0.01 1.59 -0.08 0.00 0.04 0.00 0.00 61.00 62.55 1p4x s PRO 52 Cb 0.03 -3.25 0.27 0.00 0.04 0.00 0.00 34.50 31.59 1p4x s PRO 52 CO -0.08 0.41 1.81 0.35 0.04 0.00 0.00 177.00 179.54 1p4x h PHE 53 N 4.09 0.74 0.00 0.56 3.57 -1.20 0.70 116.94 125.40 1p4x h PHE 53 Ca -0.45 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.07 1p4x h PHE 53 Cb 1.20 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.72 1p4x h PHE 53 CO 0.60 0.35 0.11 0.87 -2.23 0.00 0.00 178.31 178.01 1p4x h LYS 54 N 0.73 0.00 -0.20 1.11 6.56 -1.92 0.18 116.57 123.03 1p4x h LYS 54 Ca 0.32 0.00 -0.16 0.00 -1.06 0.00 0.00 60.65 59.75 1p4x h LYS 54 Cb 0.21 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.87 1p4x h LYS 54 CO -0.19 0.00 -0.55 -0.22 -2.06 0.00 0.00 179.45 176.43 1p4x h LYS 55 N 0.00 0.60 -0.27 3.15 3.64 -1.23 -1.64 116.57 120.82 1p4x h LYS 55 Ca 0.00 -0.38 -0.10 0.00 -1.27 0.00 0.00 60.65 58.90 1p4x h LYS 55 Cb 0.23 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1p4x h LYS 55 CO 0.00 0.99 -0.23 0.82 -2.27 0.00 0.00 179.45 178.77 1p4x h ILE 56 N 0.46 1.31 -0.83 2.00 2.04 -0.70 -1.05 117.51 120.74 1p4x h ILE 56 Ca 0.01 -1.37 0.05 0.00 1.00 0.00 0.00 64.86 64.55 1p4x h ILE 56 Cb 1.10 1.59 -0.05 0.00 -0.74 0.00 0.00 36.82 38.72 1p4x h ILE 56 CO 0.11 0.43 0.55 0.58 0.00 0.00 0.00 178.15 179.82 1p4x h VAL 57 N 0.36 1.08 0.22 1.67 2.07 -1.35 -2.40 116.25 117.91 1p4x h VAL 57 Ca 0.05 -0.33 -0.32 0.00 0.82 0.00 0.00 66.70 66.91 1p4x h VAL 57 Cb 0.78 0.03 0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1p4x h VAL 57 CO 0.06 0.18 -1.45 -1.28 0.02 0.00 0.00 177.57 175.10 1p4x h SER 58 N 0.97 0.72 -0.41 0.57 0.87 -1.19 -3.37 113.55 111.71 1p4x h SER 58 Ca 0.35 -0.79 -0.14 0.00 -1.23 0.00 0.00 61.79 59.97 1p4x h SER 58 Cb 0.14 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 61.86 1p4x h SER 58 CO -0.12 1.62 -0.30 0.44 -0.53 0.00 0.00 176.83 177.95 1p4x h ASP 59 N 0.12 0.99 -1.72 6.23 5.19 -1.04 -3.45 116.42 122.74 1p4x h ASP 59 Ca -0.23 -0.41 -0.46 0.00 -0.62 0.00 0.00 57.03 55.30 1p4x h ASP 59 Cb 2.12 -0.28 0.05 0.00 0.18 0.00 0.00 39.33 41.40 1p4x h ASP 59 CO 0.25 1.20 -0.02 -0.76 -3.12 0.00 0.00 179.24 176.79 1p4x s LEU 60 N -8.96 3.15 0.00 1.55 1.43 -0.92 -4.80 118.68 110.13 1p4x s LEU 60 Ca -0.11 -0.45 0.25 0.00 -1.03 0.00 0.00 54.13 52.79 1p4x s LEU 60 Cb 0.12 -2.12 0.46 0.00 0.03 0.00 0.00 46.19 44.68 1p4x s LEU 60 CO 0.87 -1.44 1.39 0.00 0.23 0.00 0.00 176.35 177.40 1p4x s TYR 62 N -2.22 3.02 0.62 0.00 1.51 -1.26 -5.01 117.35 114.01 1p4x s TYR 62 Ca 0.27 1.57 -0.16 0.00 -1.01 0.00 0.00 57.07 57.74 1p4x s TYR 62 Cb 0.20 -3.31 -0.02 0.00 -0.11 0.00 0.00 41.96 38.71 1p4x s TYR 62 CO 0.42 -1.23 1.08 0.15 -1.11 0.00 0.00 175.55 174.87 1p4x s LYS 63 N -2.56 3.12 0.25 -0.62 1.02 -1.26 -4.89 119.74 114.80 1p4x s LYS 63 Ca 0.61 1.31 -0.06 0.00 0.02 0.00 0.00 55.97 57.85 1p4x s LYS 63 Cb -0.27 -2.00 0.27 0.00 -0.52 0.00 0.00 37.83 35.31 1p4x s LYS 63 CO 0.34 -0.99 1.93 0.37 -0.92 0.00 0.00 175.35 176.08 1p4x h GLN 64 N 0.34 1.31 0.00 1.68 4.15 -1.95 -2.02 115.11 118.62 1p4x h GLN 64 Ca -0.47 -0.08 -0.01 0.00 0.77 0.00 0.00 58.65 58.86 1p4x h GLN 64 Cb 1.23 -0.29 -0.00 0.00 0.21 0.00 0.00 27.48 28.63 1p4x h GLN 64 CO 0.56 0.87 -0.04 0.66 -1.93 0.00 0.00 178.83 178.95 1p4x h SER 65 N 1.34 0.00 -0.04 -0.69 4.64 -2.02 -1.18 113.55 115.60 1p4x h SER 65 Ca 0.36 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.68 1p4x h SER 65 Cb -0.15 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 1p4x h SER 65 CO -0.08 0.04 0.00 0.47 -0.87 0.00 0.00 176.83 176.39 1p4x n ASP 66 N -3.94 1.15 -0.08 4.97 8.00 -0.76 -4.01 116.55 121.87 1p4x n ASP 66 Ca -0.03 -1.45 -0.11 0.00 0.71 0.00 0.00 54.79 53.92 1p4x n ASP 66 Cb 0.12 -0.02 -0.08 0.00 -0.02 0.00 0.00 41.12 41.12 1p4x n ASP 66 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1p4x n LEU 67 N -0.08 2.45 -0.33 0.64 7.99 -0.48 -4.60 117.00 122.59 1p4x n LEU 67 Ca 0.19 -0.08 0.08 0.00 -0.01 0.00 0.00 56.01 56.20 1p4x n LEU 67 Cb 0.28 -0.44 0.19 0.00 -0.11 0.00 0.00 43.42 43.35 1p4x n LEU 67 CO 0.16 0.71 0.74 0.58 -1.51 0.00 0.00 177.39 178.07 1p4x h VAL 68 N 0.00 0.09 -0.25 4.08 2.07 -1.61 -1.40 116.25 119.24 1p4x h VAL 68 Ca -0.38 -0.01 -0.20 0.00 0.82 0.00 0.00 66.70 66.94 1p4x h VAL 68 Cb 1.64 0.07 0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1p4x h VAL 68 CO -0.05 0.00 -0.61 1.56 0.02 0.00 0.00 177.57 178.49 1p4x h GLN 69 N 0.02 0.84 0.00 1.57 1.08 -1.83 -2.89 115.11 113.89 1p4x h GLN 69 Ca 0.50 -0.57 -0.01 0.00 -1.45 0.00 0.00 58.65 57.12 1p4x h GLN 69 Cb 0.89 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 28.40 1p4x h GLN 69 CO -0.91 1.20 -0.05 0.45 -0.95 0.00 0.00 178.83 178.58 1p4x h HIS 70 N 0.62 0.00 -0.15 2.96 3.86 -1.58 -0.39 115.15 120.47 1p4x h HIS 70 Ca -0.00 0.00 -0.13 0.00 -1.16 0.00 0.00 60.37 59.07 1p4x h HIS 70 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 1p4x h HIS 70 CO 0.07 0.05 -0.43 0.82 0.86 0.00 0.00 177.93 179.30 1p4x h ILE 71 N 0.00 1.35 -0.48 2.45 1.08 -1.26 -0.87 117.51 119.77 1p4x h ILE 71 Ca -0.00 -1.71 0.03 0.00 -0.39 0.00 0.00 64.86 62.79 1p4x h ILE 71 Cb 0.60 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.34 1p4x h ILE 71 CO 0.01 0.52 0.28 0.11 -0.69 0.00 0.00 178.15 178.37 1p4x h LYS 72 N 0.19 0.53 -0.07 2.37 1.57 -1.09 0.19 116.57 120.28 1p4x h LYS 72 Ca -0.01 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1p4x h LYS 72 Cb 1.05 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.23 1p4x h LYS 72 CO 0.09 0.35 -0.02 0.28 -0.57 0.00 0.00 179.45 179.59 1p4x h VAL 73 N 0.55 0.93 -0.28 0.50 2.07 -1.03 0.41 116.25 119.40 1p4x h VAL 73 Ca 0.20 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.70 1p4x h VAL 73 Cb 0.04 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 30.73 1p4x h VAL 73 CO -0.10 0.00 0.11 -0.07 0.02 0.00 0.00 177.57 177.53 1p4x h LEU 74 N 0.00 0.35 0.14 2.57 3.38 -0.66 -1.46 115.31 119.63 1p4x h LEU 74 Ca 0.03 -0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 1p4x h LEU 74 Cb 0.05 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 40.71 1p4x h LEU 74 CO -0.07 0.32 -0.07 0.58 0.09 0.00 0.00 178.44 179.30 1p4x h VAL 75 N 0.40 0.95 -1.13 1.22 2.07 -0.01 -0.53 116.25 119.21 1p4x h VAL 75 Ca 0.10 -1.19 0.32 0.00 0.82 0.00 0.00 66.70 66.75 1p4x h VAL 75 Cb 0.08 1.59 -0.07 0.00 -1.52 0.00 0.00 31.29 31.37 1p4x h VAL 75 CO -0.01 0.24 0.78 0.50 0.02 0.00 0.00 177.57 179.10 1p4x h LYS 76 N -0.83 0.16 -0.67 1.57 3.64 0.09 0.30 116.57 120.83 1p4x h LYS 76 Ca -0.02 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1p4x h LYS 76 Cb 0.54 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1p4x h LYS 76 CO 0.03 0.11 0.00 0.72 -2.27 0.00 0.00 179.45 178.04 1p4x n HIS 77 N -4.39 1.52 -1.44 1.91 8.25 -0.57 -4.93 115.22 115.57 1p4x n HIS 77 Ca 0.26 -0.54 -0.15 0.00 -0.26 0.00 0.00 57.72 57.03 1p4x n HIS 77 Cb 1.11 -0.37 -0.06 0.00 1.12 0.00 0.00 29.99 31.78 1p4x n HIS 77 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 1p4x n SER 78 N 0.56 -5.45 0.12 0.41 7.64 0.11 -4.84 113.62 112.16 1p4x n SER 78 Ca 0.21 0.37 -0.01 0.00 1.01 0.00 0.00 58.87 60.46 1p4x n SER 78 Cb 0.93 -4.28 -0.00 0.00 -1.01 0.00 0.00 64.21 59.85 1p4x n SER 78 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1p4x h TYR 79 N 0.00 0.00 -3.55 1.43 0.05 -1.28 -3.44 116.97 110.18 1p4x h TYR 79 Ca -0.31 0.00 -0.05 0.00 0.05 0.00 0.00 58.73 58.42 1p4x h TYR 79 Cb 1.20 0.00 -0.08 0.00 1.01 0.00 0.00 36.73 38.86 1p4x h TYR 79 CO 0.56 0.67 -0.05 0.96 -1.05 0.00 0.00 178.16 179.24 1p4x s ILE 80 N -2.93 0.00 0.08 -2.88 -4.36 -1.19 -4.64 121.20 105.28 1p4x s ILE 80 Ca 0.03 -1.34 0.04 0.00 -0.26 0.00 0.00 60.65 59.12 1p4x s ILE 80 Cb 0.09 -2.23 -0.03 0.00 1.25 0.00 0.00 42.46 41.54 1p4x s ILE 80 CO 0.77 0.00 -0.12 -0.44 0.24 0.00 0.00 174.94 175.39 1p4x s SER 81 N -3.02 1.50 -0.06 4.36 0.01 -0.80 -4.34 113.70 111.34 1p4x s SER 81 Ca 0.21 -0.70 0.06 0.00 1.31 0.00 0.00 55.95 56.82 1p4x s SER 81 Cb -0.02 -0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 1p4x s SER 81 CO 0.10 -0.18 -0.25 -1.59 0.41 0.00 0.00 173.24 171.73 1p4x s LYS 82 N -2.23 2.63 -0.05 12.44 -2.85 -1.26 -0.15 119.74 128.27 1p4x s LYS 82 Ca 0.01 -0.90 0.06 0.00 -1.00 0.00 0.00 55.97 54.14 1p4x s LYS 82 Cb -0.07 -2.18 -0.01 0.00 -2.06 0.00 0.00 37.83 33.51 1p4x s LYS 82 CO 0.01 0.35 -0.23 0.08 0.10 0.00 0.00 175.35 175.66 1p4x s VAL 83 N -0.09 2.23 0.45 1.79 1.01 0.74 -4.98 120.40 121.55 1p4x s VAL 83 Ca -0.06 -1.02 -0.22 0.00 0.00 0.00 0.00 61.98 60.69 1p4x s VAL 83 Cb -0.14 -1.81 -0.09 0.00 0.00 0.00 0.00 36.38 34.34 1p4x s VAL 83 CO 0.04 0.57 1.03 -0.13 0.00 0.00 0.00 175.10 176.62 1p4x s ARG 84 N -0.31 3.97 0.20 2.72 0.52 -1.26 -0.14 118.95 124.65 1p4x s ARG 84 Ca 0.01 1.40 -0.30 0.00 -0.52 0.00 0.00 55.73 56.32 1p4x s ARG 84 Cb -0.13 -2.27 -0.09 0.00 0.52 0.00 0.00 34.95 32.99 1p4x s ARG 84 CO 0.02 -0.29 1.33 0.45 0.02 0.00 0.00 175.30 176.83 1p4x s SER 85 N -1.84 6.86 0.00 0.23 0.15 -0.87 -4.79 113.70 113.44 1p4x s SER 85 Ca 0.63 2.43 0.29 0.00 0.70 0.00 0.00 55.95 60.01 1p4x s SER 85 Cb -0.18 -2.61 1.29 0.00 -1.71 0.00 0.00 66.02 62.81 1p4x s SER 85 CO 0.22 -0.55 1.92 0.29 1.20 0.00 0.00 173.24 176.32 1p4x n LYS 86 N 2.62 0.43 0.00 5.44 4.76 -1.26 -3.53 118.16 126.61 1p4x n LYS 86 Ca 0.06 -0.09 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 1p4x n LYS 86 Cb 0.42 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.12 1p4x n LYS 86 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 1p4x n ILE 87 N -1.21 0.00 -2.77 -0.18 5.41 -1.26 -4.80 119.36 114.55 1p4x n ILE 87 Ca 0.13 0.00 -0.43 0.00 1.00 0.00 0.00 62.75 63.45 1p4x n ILE 87 Cb 0.28 -0.31 -0.03 0.00 -0.71 0.00 0.00 39.64 38.87 1p4x n ILE 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1p4x s ASP 88 N -1.00 6.54 0.00 4.38 -1.08 -1.26 -4.87 116.67 119.38 1p4x s ASP 88 Ca 0.00 -1.72 0.00 0.00 -0.52 0.00 0.00 52.55 50.31 1p4x s ASP 88 Cb 0.00 -2.47 0.00 0.00 -1.46 0.00 0.00 42.92 38.99 1p4x s ASP 88 CO 0.00 -1.28 0.29 -0.62 0.52 0.00 0.00 175.17 174.08 1p4x n GLU 89 N 7.60 0.00 0.00 4.34 1.02 -1.23 0.03 120.64 132.39 1p4x n GLU 89 Ca 0.26 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.51 1p4x n GLU 89 Cb 0.50 -1.44 0.11 0.00 -0.02 0.00 0.00 31.44 30.58 1p4x n GLU 89 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 1p4x n ARG 90 N -0.77 1.27 -2.56 3.49 1.85 -1.26 -4.63 116.66 114.04 1p4x n ARG 90 Ca 0.00 -0.99 -0.22 0.00 -1.00 0.00 0.00 57.85 55.64 1p4x n ARG 90 Cb 0.00 -1.48 0.04 0.00 -1.05 0.00 0.00 32.46 29.97 1p4x n ARG 90 CO 0.00 0.00 0.00 -0.80 -0.01 0.00 0.00 177.63 176.82 1p4x s ASN 91 N -2.41 5.19 0.03 2.89 0.01 0.10 -5.00 114.94 115.75 1p4x s ASN 91 Ca 0.22 0.06 0.02 0.00 -0.71 0.00 0.00 52.86 52.45 1p4x s ASN 91 Cb 0.19 -0.90 -0.02 0.00 0.41 0.00 0.00 41.25 40.93 1p4x s ASN 91 CO 0.52 -1.22 -0.07 -0.89 -1.51 0.00 0.00 177.10 173.93 1p4x s THR 92 N -2.84 0.52 0.01 1.60 2.01 -1.26 -2.05 115.64 113.63 1p4x s THR 92 Ca 0.58 -0.82 0.08 0.00 0.31 0.00 0.00 61.69 61.84 1p4x s THR 92 Cb -0.10 -0.55 -0.02 0.00 0.01 0.00 0.00 72.50 71.84 1p4x s THR 92 CO 0.39 -0.22 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.56 1p4x s TYR 93 N -0.98 2.09 -0.15 4.92 1.51 0.80 -0.60 117.35 124.94 1p4x s TYR 93 Ca -0.06 -0.39 -0.03 0.00 -1.01 0.00 0.00 57.07 55.58 1p4x s TYR 93 Cb -0.07 -1.30 -0.03 0.00 -0.11 0.00 0.00 41.96 40.45 1p4x s TYR 93 CO 0.00 0.02 -0.05 0.42 -1.11 0.00 0.00 175.55 174.84 1p4x s ILE 94 N -0.65 3.83 0.07 2.71 1.09 0.53 -0.19 121.20 128.59 1p4x s ILE 94 Ca 0.09 -0.38 0.06 0.00 -1.10 0.00 0.00 60.65 59.32 1p4x s ILE 94 Cb -0.09 -2.67 -0.04 0.00 -1.06 0.00 0.00 42.46 38.61 1p4x s ILE 94 CO 0.00 0.50 -0.11 -0.94 -0.10 0.00 0.00 174.94 174.29 1p4x s SER 95 N 0.27 4.31 -0.28 3.58 1.04 0.79 -1.18 113.70 122.23 1p4x s SER 95 Ca -0.04 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.05 1p4x s SER 95 Cb -0.14 -0.84 0.09 0.00 0.10 0.00 0.00 66.02 65.23 1p4x s SER 95 CO 0.03 0.22 0.05 -0.63 0.98 0.00 0.00 173.24 173.89 1p4x s ILE 96 N -1.10 1.21 0.92 -1.02 1.01 0.18 -1.90 121.20 120.50 1p4x s ILE 96 Ca 0.19 -1.41 -0.12 0.00 0.00 0.00 0.00 60.65 59.31 1p4x s ILE 96 Cb -0.11 -1.79 0.14 0.00 0.01 0.00 0.00 42.46 40.72 1p4x s ILE 96 CO 0.10 -0.47 1.11 -0.94 0.00 0.00 0.00 174.94 174.74 1p4x s SER 97 N 1.48 3.40 0.37 3.58 1.04 -1.26 -4.73 113.70 117.58 1p4x s SER 97 Ca 0.05 1.19 0.05 0.00 0.48 0.00 0.00 55.95 57.72 1p4x s SER 97 Cb -0.18 -1.84 0.72 0.00 0.10 0.00 0.00 66.02 64.82 1p4x s SER 97 CO -0.16 -2.64 1.97 -0.08 0.98 0.00 0.00 173.24 173.30 1p4x h GLU 98 N -1.56 0.55 -0.19 4.02 4.57 -1.98 0.16 114.58 120.15 1p4x h GLU 98 Ca -0.51 -0.07 -0.16 0.00 -1.18 0.00 0.00 59.36 57.44 1p4x h GLU 98 Cb 1.31 -0.10 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 1p4x h GLU 98 CO 0.59 0.46 -0.55 1.49 -1.18 0.00 0.00 179.01 179.82 1p4x h GLU 99 N 0.55 0.57 0.07 1.92 4.81 -2.00 -2.87 114.58 117.62 1p4x h GLU 99 Ca 0.13 -0.36 -0.29 0.00 -0.13 0.00 0.00 59.36 58.72 1p4x h GLU 99 Cb 0.13 0.04 0.03 0.00 0.63 0.00 0.00 28.75 29.57 1p4x h GLU 99 CO -0.01 0.97 -1.17 1.96 -0.73 0.00 0.00 179.01 180.02 1p4x h GLN 100 N 0.43 0.65 0.00 1.92 4.20 -1.68 -2.98 115.11 117.66 1p4x h GLN 100 Ca 0.01 -0.80 -0.00 0.00 0.06 0.00 0.00 58.65 57.91 1p4x h GLN 100 Cb 1.10 0.25 -0.00 0.00 0.30 0.00 0.00 27.48 29.13 1p4x h GLN 100 CO 0.10 1.36 -0.02 -0.09 -0.67 0.00 0.00 178.83 179.52 1p4x h ARG 101 N 0.32 0.00 -0.04 1.46 2.43 -0.73 -0.34 114.38 117.48 1p4x h ARG 101 Ca -0.17 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.76 1p4x h ARG 101 Cb 1.84 0.00 0.02 0.00 -0.42 0.00 0.00 29.97 31.40 1p4x h ARG 101 CO 0.23 0.02 -0.93 0.93 -1.51 0.00 0.00 179.97 178.70 1p4x h GLU 102 N 0.00 0.70 -0.39 0.20 4.39 -1.43 -0.97 114.58 117.08 1p4x h GLU 102 Ca -0.00 -0.70 -0.07 0.00 0.34 0.00 0.00 59.36 58.93 1p4x h GLU 102 Cb 0.04 0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 1p4x h GLU 102 CO 0.00 1.29 -0.04 -0.22 -1.16 0.00 0.00 179.01 178.88 1p4x h LYS 103 N 0.39 0.65 -0.03 2.33 3.64 -1.13 -2.07 116.57 120.34 1p4x h LYS 103 Ca -0.10 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.09 1p4x h LYS 103 Cb 1.58 -0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 33.32 1p4x h LYS 103 CO 0.19 0.70 -0.01 0.82 -2.27 0.00 0.00 179.45 178.87 1p4x h ILE 104 N 0.61 1.31 -0.44 2.00 2.04 -1.03 -2.58 117.51 119.42 1p4x h ILE 104 Ca 0.12 -0.94 0.07 0.00 1.00 0.00 0.00 64.86 65.11 1p4x h ILE 104 Cb 0.45 1.87 -0.06 0.00 -0.74 0.00 0.00 36.82 38.33 1p4x h ILE 104 CO 0.02 0.25 0.08 0.00 0.00 0.00 0.00 178.15 178.51 1p4x h ALA 105 N 0.63 0.48 -0.29 1.87 0.00 -0.94 0.81 119.26 121.82 1p4x h ALA 105 Ca 0.01 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1p4x h ALA 105 Cb 0.41 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1p4x h ALA 105 CO 0.00 -0.32 0.16 1.05 0.00 0.00 0.00 179.25 180.14 1p4x h GLU 106 N 0.22 0.41 -0.78 0.00 4.11 -1.41 -0.79 114.58 116.34 1p4x h GLU 106 Ca 0.22 -0.05 0.10 0.00 0.07 0.00 0.00 59.36 59.69 1p4x h GLU 106 Cb 0.28 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 1p4x h GLU 106 CO -0.29 0.36 0.51 -0.09 0.07 0.00 0.00 179.01 179.58 1p4x h ARG 107 N 0.35 0.69 0.00 1.06 9.65 -0.89 0.12 114.38 125.36 1p4x h ARG 107 Ca 0.10 -0.04 -0.07 0.00 -1.10 0.00 0.00 59.98 58.87 1p4x h ARG 107 Cb 0.08 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.49 1p4x h ARG 107 CO -0.02 0.46 -0.33 0.28 2.80 0.00 0.00 179.97 183.16 1p4x h VAL 108 N 0.71 0.65 -0.03 0.20 2.07 -0.33 -2.17 116.25 117.36 1p4x h VAL 108 Ca 0.36 -1.61 -0.17 0.00 0.82 0.00 0.00 66.70 66.10 1p4x h VAL 108 Cb 0.45 2.08 -0.01 0.00 -1.52 0.00 0.00 31.29 32.29 1p4x h VAL 108 CO -0.14 0.32 -0.74 0.74 0.02 0.00 0.00 177.57 177.78 1p4x h THR 109 N 0.00 1.45 -0.30 2.57 2.02 0.63 -1.12 112.91 118.16 1p4x h THR 109 Ca -0.00 -2.31 -0.08 0.00 0.77 0.00 0.00 66.41 64.78 1p4x h THR 109 Cb 1.06 2.24 -0.01 0.00 -1.74 0.00 0.00 68.15 69.70 1p4x h THR 109 CO 0.04 0.68 -0.12 0.25 0.37 0.00 0.00 175.52 176.74 1p4x h LEU 110 N 0.13 0.62 -0.80 2.58 6.46 -0.92 -2.41 115.31 120.97 1p4x h LEU 110 Ca -0.02 -0.40 -0.01 0.00 -0.12 0.00 0.00 57.88 57.33 1p4x h LEU 110 Cb 1.30 -0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 41.02 1p4x h LEU 110 CO 0.11 0.88 0.46 0.15 -0.62 0.00 0.00 178.44 179.42 1p4x h PHE 111 N 0.37 1.08 -0.47 1.25 3.57 -1.21 -0.29 116.94 121.24 1p4x h PHE 111 Ca 0.07 -0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.63 1p4x h PHE 111 Cb 0.63 -0.35 -0.06 0.00 2.79 0.00 0.00 35.95 38.96 1p4x h PHE 111 CO 0.06 0.74 0.11 -0.44 -2.23 0.00 0.00 178.31 176.55 1p4x h ASP 112 N 1.10 0.04 -0.62 0.41 3.32 -1.00 -0.73 116.42 118.94 1p4x h ASP 112 Ca 0.28 0.08 -0.09 0.00 0.02 0.00 0.00 57.03 57.32 1p4x h ASP 112 Cb -0.00 0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1p4x h ASP 112 CO -0.05 0.05 0.05 -0.61 -1.72 0.00 0.00 179.24 176.97 1p4x h GLN 113 N 0.25 1.07 -0.64 3.56 4.15 -0.88 -1.55 115.11 121.07 1p4x h GLN 113 Ca 0.23 -0.31 -0.01 0.00 0.77 0.00 0.00 58.65 59.33 1p4x h GLN 113 Cb 0.29 -0.11 -0.03 0.00 0.21 0.00 0.00 27.48 27.83 1p4x h GLN 113 CO -0.29 1.01 0.37 0.82 -1.93 0.00 0.00 178.83 178.82 1p4x h ILE 114 N 0.99 1.19 -0.42 2.39 2.04 -0.44 0.49 117.51 123.75 1p4x h ILE 114 Ca 0.19 -0.46 -0.05 0.00 1.00 0.00 0.00 64.86 65.54 1p4x h ILE 114 Cb 0.50 0.34 -0.02 0.00 -0.74 0.00 0.00 36.82 36.90 1p4x h ILE 114 CO 0.02 0.21 0.08 0.40 0.00 0.00 0.00 178.15 178.86 1p4x h ILE 115 N 0.87 1.24 0.05 -0.67 2.04 -0.93 -0.07 117.51 120.05 1p4x h ILE 115 Ca 0.23 -0.85 -0.00 0.00 1.00 0.00 0.00 64.86 65.24 1p4x h ILE 115 Cb 0.01 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.07 1p4x h ILE 115 CO -0.04 0.29 -0.03 0.50 0.00 0.00 0.00 178.15 178.88 1p4x h LYS 116 N 0.55 -0.07 -0.39 2.37 3.64 -0.91 -1.20 116.57 120.55 1p4x h LYS 116 Ca 0.13 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 1p4x h LYS 116 Cb 0.35 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.17 1p4x h LYS 116 CO 0.01 -0.01 -0.01 1.96 -2.27 0.00 0.00 179.45 179.13 1p4x h GLN 117 N -0.11 0.63 -0.28 1.90 4.20 -0.83 -2.05 115.11 118.57 1p4x h GLN 117 Ca -0.01 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.52 1p4x h GLN 117 Cb 0.09 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 1p4x h GLN 117 CO 0.01 0.66 0.06 0.35 -0.67 0.00 0.00 178.83 179.24 1p4x h PHE 118 N 0.59 0.47 -0.60 2.96 3.57 -0.76 -2.54 116.94 120.64 1p4x h PHE 118 Ca 0.12 -0.06 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1p4x h PHE 118 Cb 0.39 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 1p4x h PHE 118 CO 0.02 0.53 0.40 -0.91 -2.23 0.00 0.00 178.31 176.11 1p4x h ASN 119 N 0.28 0.61 -0.14 0.41 2.35 -0.79 -0.28 115.58 118.02 1p4x h ASN 119 Ca 0.09 -0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 1p4x h ASN 119 Cb 0.30 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.52 1p4x h ASN 119 CO 0.00 0.42 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.71 1p4x h LEU 120 N 0.71 0.73 -0.24 1.61 3.38 -1.20 -2.97 115.31 117.33 1p4x h LEU 120 Ca 0.24 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1p4x h LEU 120 Cb 0.08 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.62 1p4x h LEU 120 CO -0.06 1.06 -0.23 0.00 0.09 0.00 0.00 178.44 179.29 1p4x n ALA 121 N -2.52 2.99 -2.89 1.53 0.00 -0.89 -4.89 120.51 113.84 1p4x n ALA 121 Ca -0.02 -0.31 -0.28 0.00 0.00 0.00 0.00 53.44 52.83 1p4x n ALA 121 Cb 0.54 -1.24 -0.04 0.00 0.00 0.00 0.00 19.45 18.71 1p4x n ALA 121 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1p4x s ASP 122 N -2.64 6.10 -0.40 0.00 -1.08 -0.17 -4.95 116.67 113.53 1p4x s ASP 122 Ca 0.22 0.13 -0.03 0.00 -0.52 0.00 0.00 52.55 52.35 1p4x s ASP 122 Cb 0.19 -1.79 -0.04 0.00 -1.46 0.00 0.00 42.92 39.82 1p4x s ASP 122 CO 0.54 0.11 1.58 0.00 0.52 0.00 0.00 175.17 177.92 1p4x n GLN 123 N -0.13 1.04 -0.37 4.34 6.02 -1.26 -4.73 117.38 122.28 1p4x n GLN 123 Ca -0.07 -0.88 -0.32 0.00 -0.01 0.00 0.00 57.00 55.72 1p4x n GLN 123 Cb 0.53 -2.12 -0.09 0.00 1.02 0.00 0.00 30.24 29.58 1p4x n GLN 123 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1p4x n SER 124 N 4.20 0.71 0.13 1.08 3.41 -1.26 -4.55 113.62 117.34 1p4x n SER 124 Ca 0.22 -2.33 -0.24 0.00 -0.26 0.00 0.00 58.87 56.26 1p4x n SER 124 Cb 0.12 -0.49 -0.16 0.00 -0.26 0.00 0.00 64.21 63.42 1p4x n SER 124 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1p4x h GLU 125 N 9.41 0.50 -7.18 4.33 4.81 -1.95 -3.47 114.58 121.04 1p4x h GLU 125 Ca 0.19 -0.86 -0.49 0.00 -0.13 0.00 0.00 59.36 58.06 1p4x h GLU 125 Cb 0.51 0.32 0.05 0.00 0.63 0.00 0.00 28.75 30.26 1p4x h GLU 125 CO 1.74 1.41 0.26 0.45 -0.73 0.00 0.00 179.01 182.14 1p4x s SER 126 N -7.49 5.97 0.00 1.04 0.15 -1.26 -4.98 113.70 107.12 1p4x s SER 126 Ca -0.10 1.04 0.25 0.00 0.70 0.00 0.00 55.95 57.84 1p4x s SER 126 Cb 0.04 -2.13 0.50 0.00 -1.71 0.00 0.00 66.02 62.71 1p4x s SER 126 CO 0.92 -0.89 1.40 0.00 1.20 0.00 0.00 173.24 175.88 1p4x n GLN 127 N -2.58 0.88 0.41 5.44 -0.00 -1.26 -4.34 117.38 115.93 1p4x n GLN 127 Ca 0.04 -0.60 -0.18 0.00 -0.00 0.00 0.00 57.00 56.25 1p4x n GLN 127 Cb 0.56 -1.49 -0.09 0.00 -0.00 0.00 0.00 30.24 29.22 1p4x n GLN 127 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.06 177.58 1p4x h MET 128 N 1.47 -0.99 -2.18 2.61 2.86 -2.00 -3.47 114.93 113.24 1p4x h MET 128 Ca 0.00 0.07 -0.26 0.00 -2.06 0.00 0.00 59.70 57.45 1p4x h MET 128 Cb 0.58 0.22 0.03 0.00 0.06 0.00 0.00 31.60 32.49 1p4x h MET 128 CO 0.00 -0.65 -0.11 0.44 1.06 0.00 0.00 176.91 177.66 1p4x n ILE 129 N -5.51 0.44 -1.82 -1.22 -5.35 -1.26 -4.87 119.36 99.77 1p4x n ILE 129 Ca -0.14 -0.11 -0.40 0.00 -0.27 0.00 0.00 62.75 61.83 1p4x n ILE 129 Cb 0.41 0.00 0.01 0.00 -1.74 0.00 0.00 39.64 38.33 1p4x n ILE 129 CO 0.00 0.00 0.00 -2.84 -1.76 0.00 0.00 176.55 171.95 1p4x s PRO 130 N -0.22 3.72 -0.01 6.28 0.02 -1.26 -4.94 135.00 138.59 1p4x s PRO 130 Ca 0.27 2.40 0.16 0.00 0.02 0.00 0.00 61.00 63.85 1p4x s PRO 130 Cb -0.39 -2.67 -0.22 0.00 0.02 0.00 0.00 34.50 31.24 1p4x s PRO 130 CO 0.20 -0.78 0.46 1.63 -0.33 0.00 0.00 177.00 178.18 1p4x n LYS 131 N -0.15 0.99 -3.86 5.54 4.01 -1.26 -4.90 118.16 118.53 1p4x n LYS 131 Ca 0.05 -0.09 -0.09 0.00 -0.51 0.00 0.00 58.31 57.67 1p4x n LYS 131 Cb 0.42 -1.32 -0.00 0.00 -0.51 0.00 0.00 35.03 33.61 1p4x n LYS 131 CO 0.00 0.00 0.00 0.16 -1.11 0.00 0.00 177.40 176.45 1p4x s ASP 132 N -3.34 -0.03 0.19 4.39 1.47 -1.26 -4.60 116.67 113.48 1p4x s ASP 132 Ca -0.02 -0.96 -0.17 0.00 1.18 0.00 0.00 52.55 52.58 1p4x s ASP 132 Cb 0.11 0.78 0.16 0.00 -0.34 0.00 0.00 42.92 43.63 1p4x s ASP 132 CO 0.65 -1.50 1.62 0.77 0.68 0.00 0.00 175.17 177.39 1p4x h SER 133 N 2.03 -0.77 -0.43 2.11 4.64 -1.88 0.42 113.55 119.67 1p4x h SER 133 Ca -0.27 0.19 0.06 0.00 -0.47 0.00 0.00 61.79 61.30 1p4x h SER 133 Cb 1.25 0.43 -0.05 0.00 -0.31 0.00 0.00 62.40 63.72 1p4x h SER 133 CO 0.34 -0.24 0.11 0.50 -0.87 0.00 0.00 176.83 176.66 1p4x h LYS 134 N -0.09 0.24 -0.51 4.77 3.64 -1.97 0.99 116.57 123.64 1p4x h LYS 134 Ca 0.25 -0.01 -0.10 0.00 -1.27 0.00 0.00 60.65 59.51 1p4x h LYS 134 Cb 0.48 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 32.23 1p4x h LYS 134 CO -0.60 0.16 -0.09 0.93 -2.27 0.00 0.00 179.45 177.58 1p4x h GLU 135 N 0.25 0.93 -0.07 1.90 5.08 -1.77 -2.08 114.58 118.82 1p4x h GLU 135 Ca 0.20 -0.32 0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1p4x h GLU 135 Cb 0.23 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1p4x h GLU 135 CO -0.25 0.97 -0.01 0.35 -1.00 0.00 0.00 179.01 179.08 1p4x h PHE 136 N 0.84 -0.01 0.10 4.33 3.57 -0.22 0.08 116.94 125.63 1p4x h PHE 136 Ca 0.14 0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.66 1p4x h PHE 136 Cb 0.61 0.02 -0.05 0.00 2.79 0.00 0.00 35.95 39.32 1p4x h PHE 136 CO 0.04 -0.02 -0.48 1.25 -2.23 0.00 0.00 178.31 176.88 1p4x h LEU 137 N 0.02 -1.42 -0.26 0.59 7.12 -0.63 0.32 115.31 121.04 1p4x h LEU 137 Ca 0.03 0.16 0.04 0.00 0.13 0.00 0.00 57.88 58.24 1p4x h LEU 137 Cb 0.04 0.53 -0.04 0.00 -0.53 0.00 0.00 40.66 40.67 1p4x h LEU 137 CO -0.06 -0.52 0.01 0.78 -0.13 0.00 0.00 178.44 178.52 1p4x h ASN 138 N -0.70 -0.08 -0.19 1.25 2.35 -1.17 -1.42 115.58 115.63 1p4x h ASN 138 Ca 0.01 0.05 -0.06 0.00 -0.55 0.00 0.00 56.30 55.76 1p4x h ASN 138 Cb 0.72 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 39.17 1p4x h ASN 138 CO -0.28 -0.01 -0.05 -0.07 -1.65 0.00 0.00 177.43 175.38 1p4x h LEU 139 N 0.09 0.49 -0.83 1.61 3.38 -0.77 -1.37 115.31 117.91 1p4x h LEU 139 Ca 0.12 -0.10 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 1p4x h LEU 139 Cb 0.15 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1p4x h LEU 139 CO -0.20 0.59 -0.17 -0.03 0.09 0.00 0.00 178.44 178.72 1p4x h MET 140 N 0.49 0.69 0.00 1.13 4.05 -0.46 -2.34 114.93 118.48 1p4x h MET 140 Ca 0.10 -0.24 -0.10 0.00 -0.28 0.00 0.00 59.70 59.18 1p4x h MET 140 Cb 0.39 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 31.13 1p4x h MET 140 CO 0.02 0.82 -0.48 0.52 0.23 0.00 0.00 176.91 178.02 1p4x h MET 141 N 0.62 0.00 -0.64 0.39 2.86 -0.67 -2.91 114.93 114.59 1p4x h MET 141 Ca 0.10 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.65 1p4x h MET 141 Cb 0.63 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.27 1p4x h MET 141 CO 0.04 0.48 0.04 -0.92 1.06 0.00 0.00 176.91 177.60 1p4x h TYR 142 N 0.00 1.19 -0.35 -0.22 3.20 -0.73 -0.31 116.97 119.74 1p4x h TYR 142 Ca -0.00 -0.19 -0.05 0.00 3.14 0.00 0.00 58.73 61.62 1p4x h TYR 142 Cb 0.85 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 38.78 1p4x h TYR 142 CO 0.00 1.03 0.00 1.79 -1.64 0.00 0.00 178.16 179.34 1p4x h THR 143 N 1.01 1.20 -0.18 1.81 1.35 -1.30 0.19 112.91 116.99 1p4x h THR 143 Ca 0.18 -0.80 -0.17 0.00 -0.55 0.00 0.00 66.41 65.07 1p4x h THR 143 Cb 0.53 0.93 0.01 0.00 -1.73 0.00 0.00 68.15 67.88 1p4x h THR 143 CO 0.03 0.28 -0.56 0.24 -0.25 0.00 0.00 175.52 175.25 1p4x h MET 144 N 0.53 0.70 -0.35 4.72 2.86 -1.36 -2.05 114.93 119.98 1p4x h MET 144 Ca 0.11 -0.51 -0.03 0.00 -2.06 0.00 0.00 59.70 57.21 1p4x h MET 144 Cb 0.34 0.09 -0.01 0.00 0.06 0.00 0.00 31.60 32.07 1p4x h MET 144 CO 0.01 1.13 0.10 -0.92 1.06 0.00 0.00 176.91 178.29 1p4x h TYR 145 N 0.40 0.57 -0.31 -0.22 3.20 -0.76 -1.00 116.97 118.86 1p4x h TYR 145 Ca -0.02 -0.06 0.02 0.00 3.14 0.00 0.00 58.73 61.81 1p4x h TYR 145 Cb 1.18 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 39.27 1p4x h TYR 145 CO 0.09 0.57 0.17 0.35 -1.64 0.00 0.00 178.16 177.70 1p4x h PHE 146 N 0.42 0.31 -0.65 -3.82 3.57 -0.65 -2.23 116.94 113.90 1p4x h PHE 146 Ca 0.11 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1p4x h PHE 146 Cb 0.27 -0.10 -0.03 0.00 2.79 0.00 0.00 35.95 38.88 1p4x h PHE 146 CO 0.01 0.18 0.29 0.87 -2.23 0.00 0.00 178.31 177.43 1p4x h LYS 147 N 0.35 0.93 -0.66 1.11 1.57 -1.13 -1.91 116.57 116.84 1p4x h LYS 147 Ca 0.13 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1p4x h LYS 147 Cb 0.02 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1p4x h LYS 147 CO -0.07 0.74 0.11 -0.91 -0.57 0.00 0.00 179.45 178.75 1p4x h ASN 148 N 0.93 1.04 -0.71 0.86 2.35 -0.85 -2.65 115.58 116.55 1p4x h ASN 148 Ca 0.22 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.70 1p4x h ASN 148 Cb 0.13 -0.28 -0.03 0.00 0.05 0.00 0.00 38.32 38.19 1p4x h ASN 148 CO -0.03 1.03 0.38 0.40 -1.65 0.00 0.00 177.43 177.57 1p4x h ILE 149 N 1.01 1.22 -0.05 2.81 2.04 -0.95 -1.78 117.51 121.81 1p4x h ILE 149 Ca 0.20 -0.57 0.02 0.00 1.00 0.00 0.00 64.86 65.52 1p4x h ILE 149 Cb 0.43 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.79 1p4x h ILE 149 CO 0.01 0.25 -0.10 0.40 0.00 0.00 0.00 178.15 178.71 1p4x h ILE 150 N 0.98 0.73 0.00 -0.67 1.08 -1.08 -1.28 117.51 117.27 1p4x h ILE 150 Ca 0.25 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1p4x h ILE 150 Cb 0.06 0.73 0.00 0.00 -3.07 0.00 0.00 36.82 34.54 1p4x h ILE 150 CO -0.04 0.00 0.00 0.07 -0.69 0.00 0.00 178.15 177.49 1p4x h LYS 151 N -0.15 0.00 0.19 2.37 2.10 -1.31 -1.43 116.57 118.35 1p4x h LYS 151 Ca 0.05 0.00 -0.35 0.00 -2.00 0.00 0.00 60.65 58.35 1p4x h LYS 151 Cb 0.22 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.57 1p4x h LYS 151 CO -0.14 0.00 -1.74 -0.22 -2.00 0.00 0.00 179.45 175.36 1p4x h LYS 152 N 0.00 0.41 0.00 0.07 3.64 -0.80 -3.40 116.57 116.49 1p4x h LYS 152 Ca 0.00 -0.70 0.00 0.00 -1.27 0.00 0.00 60.65 58.68 1p4x h LYS 152 Cb 0.52 0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.60 1p4x h LYS 152 CO 0.00 1.33 -1.39 0.72 -2.27 0.00 0.00 179.45 177.84 1p4x n HIS 153 N -3.60 0.00 -4.62 1.91 8.25 -0.53 -5.01 115.22 111.61 1p4x n HIS 153 Ca -0.24 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 56.93 1p4x n HIS 153 Cb 1.08 -0.22 -0.09 0.00 1.12 0.00 0.00 29.99 31.88 1p4x n HIS 153 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1p4x s LEU 154 N -3.62 2.34 0.00 2.41 1.43 -0.54 -5.04 118.68 115.66 1p4x s LEU 154 Ca 0.00 -1.55 0.10 0.00 -1.03 0.00 0.00 54.13 51.65 1p4x s LEU 154 Cb 0.14 -0.57 -0.09 0.00 0.03 0.00 0.00 46.19 45.70 1p4x s LEU 154 CO 0.81 -0.74 0.48 0.35 0.23 0.00 0.00 176.35 177.48 1p4x n THR 155 N -1.03 0.00 -2.65 5.49 -2.24 -1.26 -4.63 114.28 107.96 1p4x n THR 155 Ca -0.10 -0.28 -0.32 0.00 -2.27 0.00 0.00 64.05 61.08 1p4x n THR 155 Cb 0.66 1.03 -0.04 0.00 -2.10 0.00 0.00 70.33 69.88 1p4x n THR 155 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1p4x s LEU 156 N -2.32 3.76 0.79 3.22 1.43 -1.26 -5.08 118.68 119.22 1p4x s LEU 156 Ca 0.05 1.40 -0.11 0.00 -1.03 0.00 0.00 54.13 54.44 1p4x s LEU 156 Cb 0.08 -4.30 0.08 0.00 0.03 0.00 0.00 46.19 42.08 1p4x s LEU 156 CO 0.39 -0.47 1.15 -0.94 0.23 0.00 0.00 176.35 176.70 1p4x s SER 157 N -2.97 4.51 0.37 2.29 1.04 -1.26 -4.64 113.70 113.04 1p4x s SER 157 Ca 0.56 0.67 0.17 0.00 0.48 0.00 0.00 55.95 57.83 1p4x s SER 157 Cb -0.10 -1.18 0.69 0.00 0.10 0.00 0.00 66.02 65.53 1p4x s SER 157 CO 0.29 -1.87 1.75 2.19 0.98 0.00 0.00 173.24 176.58 1p4x h PHE 158 N -0.97 0.00 -0.07 5.02 -5.15 -1.95 -1.37 116.94 112.46 1p4x h PHE 158 Ca -0.45 0.00 -0.13 0.00 -0.20 0.00 0.00 57.97 57.18 1p4x h PHE 158 Cb 1.32 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.50 1p4x h PHE 158 CO 0.25 0.40 -0.47 0.28 -2.00 0.00 0.00 178.31 176.76 1p4x h VAL 159 N 0.00 1.40 -0.85 0.88 2.07 -1.99 -1.41 116.25 116.36 1p4x h VAL 159 Ca -0.00 -1.86 -0.02 0.00 0.82 0.00 0.00 66.70 65.64 1p4x h VAL 159 Cb 0.86 2.33 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 1p4x h VAL 159 CO 0.05 0.55 0.45 -0.33 0.02 0.00 0.00 177.57 178.31 1p4x h GLU 160 N -0.02 1.19 -0.56 1.57 5.08 -1.88 -1.23 114.58 118.73 1p4x h GLU 160 Ca -0.04 -0.15 -0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1p4x h GLU 160 Cb 1.13 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 30.13 1p4x h GLU 160 CO 0.10 0.88 0.10 0.35 -1.00 0.00 0.00 179.01 179.44 1p4x h PHE 161 N 1.19 0.98 0.08 4.33 3.57 -1.20 0.26 116.94 126.15 1p4x h PHE 161 Ca 0.30 -0.13 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1p4x h PHE 161 Cb 0.05 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.50 1p4x h PHE 161 CO 0.01 0.86 -0.16 1.15 -2.23 0.00 0.00 178.31 177.94 1p4x h THR 162 N 0.82 0.64 -0.97 4.41 2.02 -0.68 -0.46 112.91 118.69 1p4x h THR 162 Ca 0.17 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1p4x h THR 162 Cb 0.40 0.64 -0.06 0.00 -1.74 0.00 0.00 68.15 67.39 1p4x h THR 162 CO 0.01 0.00 0.64 0.40 0.37 0.00 0.00 175.52 176.94 1p4x h ILE 163 N -0.30 1.17 -0.27 3.11 2.04 -0.99 -0.72 117.51 121.56 1p4x h ILE 163 Ca 0.03 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.44 1p4x h ILE 163 Cb 0.32 -0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1p4x h ILE 163 CO -0.09 0.22 0.08 0.25 0.00 0.00 0.00 178.15 178.61 1p4x h LEU 164 N 1.23 0.40 -0.30 1.44 5.85 -0.62 -1.90 115.31 121.41 1p4x h LEU 164 Ca 0.39 -0.21 0.01 0.00 0.84 0.00 0.00 57.88 58.90 1p4x h LEU 164 Cb 0.00 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1p4x h LEU 164 CO -0.12 0.50 0.19 0.00 -0.34 0.00 0.00 178.44 178.68 1p4x h ALA 165 N 0.91 0.38 0.06 1.25 0.00 -0.58 0.17 119.26 121.46 1p4x h ALA 165 Ca 0.09 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1p4x h ALA 165 Cb 0.25 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1p4x h ALA 165 CO -0.00 -0.17 -0.03 0.82 0.00 0.00 0.00 179.25 179.87 1p4x h ILE 166 N 0.39 0.94 -0.31 0.00 2.04 -1.08 -1.96 117.51 117.54 1p4x h ILE 166 Ca 0.11 -0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.91 1p4x h ILE 166 Cb -0.03 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1p4x h ILE 166 CO -0.04 0.00 -0.08 0.40 0.00 0.00 0.00 178.15 178.43 1p4x h ILE 167 N -0.09 1.22 -0.41 -0.67 5.03 -1.19 -2.76 117.51 118.64 1p4x h ILE 167 Ca -0.01 -0.93 -0.04 0.00 -0.12 0.00 0.00 64.86 63.76 1p4x h ILE 167 Cb 0.07 1.07 -0.02 0.00 -3.03 0.00 0.00 36.82 34.91 1p4x h ILE 167 CO 0.01 0.31 0.07 0.74 -0.68 0.00 0.00 178.15 178.60 1p4x h THR 168 N 0.47 1.20 0.00 -0.27 2.02 -0.28 -2.18 112.91 113.87 1p4x h THR 168 Ca 0.09 -0.74 0.00 0.00 0.77 0.00 0.00 66.41 66.53 1p4x h THR 168 Cb 0.43 0.82 0.00 0.00 -1.74 0.00 0.00 68.15 67.66 1p4x h THR 168 CO 0.02 0.27 0.00 -1.54 0.37 0.00 0.00 175.52 174.64 1p4x n SER 169 N -4.29 0.00 -0.37 4.18 3.41 -0.77 -2.77 113.62 113.01 1p4x n SER 169 Ca 0.02 -0.47 0.12 0.00 -0.26 0.00 0.00 58.87 58.28 1p4x n SER 169 Cb 0.22 -0.09 0.52 0.00 -0.26 0.00 0.00 64.21 64.61 1p4x n SER 169 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1p4x n GLN 170 N -1.09 1.49 -4.30 4.33 1.13 -0.82 -4.60 117.38 113.53 1p4x n GLN 170 Ca 0.14 -0.73 -0.31 0.00 -1.94 0.00 0.00 57.00 54.16 1p4x n GLN 170 Cb 0.10 -1.41 -0.09 0.00 0.11 0.00 0.00 30.24 28.94 1p4x n GLN 170 CO 0.00 0.00 0.00 0.09 -1.44 0.00 0.00 177.06 175.71 1p4x n ASN 171 N -0.08 0.86 0.00 1.08 3.02 -1.11 -0.65 115.26 118.38 1p4x n ASN 171 Ca 0.18 -1.26 0.00 0.00 -0.03 0.00 0.00 54.58 53.46 1p4x n ASN 171 Cb 0.26 -1.69 0.00 0.00 -0.61 0.00 0.00 39.78 37.74 1p4x n ASN 171 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1p4x n LYS 172 N -4.58 0.00 -1.74 3.52 5.02 -1.26 -5.03 118.16 114.09 1p4x n LYS 172 Ca -0.33 0.00 -0.35 0.00 -2.02 0.00 0.00 58.31 55.62 1p4x n LYS 172 Cb 0.70 -1.51 0.06 0.00 -0.02 0.00 0.00 35.03 34.25 1p4x n LYS 172 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 1p4x s ASN 173 N -3.35 4.81 0.05 4.39 0.01 0.17 -4.70 114.94 116.32 1p4x s ASN 173 Ca 0.00 2.28 -0.23 0.00 -0.71 0.00 0.00 52.86 54.20 1p4x s ASN 173 Cb 0.00 -2.58 -0.06 0.00 0.41 0.00 0.00 41.25 39.02 1p4x s ASN 173 CO 0.00 -1.84 0.68 -0.63 -1.51 0.00 0.00 177.10 173.80 1p4x s ILE 174 N -1.92 4.73 -0.05 0.60 1.09 -1.26 -4.71 121.20 119.68 1p4x s ILE 174 Ca 0.74 1.46 0.05 0.00 -1.10 0.00 0.00 60.65 61.80 1p4x s ILE 174 Cb -0.27 -4.03 -0.02 0.00 -1.06 0.00 0.00 42.46 37.08 1p4x s ILE 174 CO 0.39 0.43 -0.20 -0.69 -0.10 0.00 0.00 174.94 174.78 1p4x s VAL 175 N -0.42 2.55 0.01 2.92 1.01 0.21 -4.95 120.40 121.73 1p4x s VAL 175 Ca 0.34 -0.91 -0.20 0.00 0.00 0.00 0.00 61.98 61.22 1p4x s VAL 175 Cb -0.20 -1.96 -0.06 0.00 0.00 0.00 0.00 36.38 34.17 1p4x s VAL 175 CO 0.21 0.58 0.57 -0.76 0.00 0.00 0.00 175.10 175.70 1p4x s LEU 176 N -0.52 4.44 0.25 3.92 1.43 -1.26 0.09 118.68 127.04 1p4x s LEU 176 Ca 0.07 1.16 -0.03 0.00 -1.03 0.00 0.00 54.13 54.30 1p4x s LEU 176 Cb -0.11 -2.89 0.50 0.00 0.03 0.00 0.00 46.19 43.72 1p4x s LEU 176 CO 0.01 0.15 1.70 0.25 0.23 0.00 0.00 176.35 178.70 1p4x h LEU 177 N 5.35 0.16 -1.30 1.79 5.85 -1.58 0.38 115.31 125.95 1p4x h LEU 177 Ca -0.46 0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.37 1p4x h LEU 177 Cb 1.20 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 42.38 1p4x h LEU 177 CO 0.68 0.02 -0.10 0.07 -0.34 0.00 0.00 178.44 178.76 1p4x h LYS 178 N 0.36 0.00 0.04 1.25 2.10 -1.94 0.39 116.57 118.77 1p4x h LYS 178 Ca 0.44 0.00 -0.23 0.00 -2.00 0.00 0.00 60.65 58.86 1p4x h LYS 178 Cb 0.73 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.06 1p4x h LYS 178 CO -0.47 0.10 -1.02 -0.44 -2.00 0.00 0.00 179.45 175.62 1p4x h ASP 179 N 0.00 0.37 -0.18 7.07 3.45 -1.38 -2.29 116.42 123.46 1p4x h ASP 179 Ca -0.00 -0.34 -0.04 0.00 0.43 0.00 0.00 57.03 57.08 1p4x h ASP 179 Cb 0.62 -0.12 -0.01 0.00 -0.56 0.00 0.00 39.33 39.27 1p4x h ASP 179 CO 0.01 1.18 -0.04 0.25 -1.57 0.00 0.00 179.24 179.07 1p4x h LEU 180 N 0.12 0.36 -1.03 1.55 7.12 -0.56 -2.05 115.31 120.81 1p4x h LEU 180 Ca -0.08 -0.37 -0.08 0.00 0.13 0.00 0.00 57.88 57.48 1p4x h LEU 180 Cb 1.70 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 41.71 1p4x h LEU 180 CO 0.16 0.64 -0.21 0.40 -0.13 0.00 0.00 178.44 179.31 1p4x h ILE 181 N 0.07 1.25 -0.22 4.05 2.04 -0.98 -2.61 117.51 121.10 1p4x h ILE 181 Ca 0.05 -1.15 -0.15 0.00 1.00 0.00 0.00 64.86 64.60 1p4x h ILE 181 Cb 0.48 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1p4x h ILE 181 CO 0.02 0.37 -0.48 -0.08 0.00 0.00 0.00 178.15 177.98 1p4x h GLU 182 N 0.40 0.57 -0.03 2.37 4.57 -1.33 -3.28 114.58 117.85 1p4x h GLU 182 Ca 0.07 -0.33 -0.19 0.00 -1.18 0.00 0.00 59.36 57.73 1p4x h GLU 182 Cb 0.59 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.19 1p4x h GLU 182 CO 0.04 0.93 -0.80 1.15 -1.18 0.00 0.00 179.01 179.15 1p4x h THR 183 N 0.46 1.44 -2.62 0.32 2.02 -1.12 -3.46 112.91 109.95 1p4x h THR 183 Ca 0.02 -2.38 -0.47 0.00 0.77 0.00 0.00 66.41 64.36 1p4x h THR 183 Cb 1.00 2.30 0.01 0.00 -1.74 0.00 0.00 68.15 69.72 1p4x h THR 183 CO 0.09 0.70 -0.23 0.27 0.37 0.00 0.00 175.52 176.72 1p4x s ILE 184 N -3.41 4.90 -0.58 3.11 -4.36 -1.01 -5.00 121.20 114.86 1p4x s ILE 184 Ca -0.04 -0.59 0.24 0.00 -0.26 0.00 0.00 60.65 60.00 1p4x s ILE 184 Cb 0.10 -3.78 0.24 0.00 1.25 0.00 0.00 42.46 40.28 1p4x s ILE 184 CO 0.83 -0.46 1.58 1.12 0.24 0.00 0.00 174.94 178.25 1p4x h HIS 185 N 0.78 0.00 -4.00 1.37 2.07 -1.89 -3.46 115.15 110.02 1p4x h HIS 185 Ca -0.49 0.00 -0.52 0.00 -2.85 0.00 0.00 60.37 56.51 1p4x h HIS 185 Cb 1.23 0.00 0.08 0.00 2.57 0.00 0.00 27.41 31.29 1p4x h HIS 185 CO 0.49 0.00 0.52 -1.01 -3.07 0.00 0.00 177.93 174.86 1p4x s HIS 186 N -3.17 2.77 0.68 6.12 3.76 -1.26 -5.01 115.29 119.18 1p4x s HIS 186 Ca 0.08 1.49 -0.08 0.00 -0.15 0.00 0.00 55.06 56.40 1p4x s HIS 186 Cb 0.10 -3.49 0.04 0.00 1.11 0.00 0.00 32.58 30.34 1p4x s HIS 186 CO 0.66 -1.82 1.01 0.15 -0.85 0.00 0.00 174.74 173.89 1p4x s LYS 187 N -2.65 2.49 0.16 1.40 1.02 -1.26 -4.86 119.74 116.04 1p4x s LYS 187 Ca 0.64 -0.04 -0.27 0.00 0.02 0.00 0.00 55.97 56.32 1p4x s LYS 187 Cb -0.32 -2.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.83 1p4x s LYS 187 CO 0.39 -1.08 1.57 -0.92 -0.92 0.00 0.00 175.35 174.39 1p4x h TYR 188 N -0.52 -1.29 -0.36 3.18 3.20 -1.95 -1.20 116.97 118.04 1p4x h TYR 188 Ca -0.45 0.07 0.08 0.00 3.14 0.00 0.00 58.73 61.57 1p4x h TYR 188 Cb 1.29 0.63 -0.08 0.00 1.54 0.00 0.00 36.73 40.11 1p4x h TYR 188 CO 0.40 -0.44 -0.20 -1.35 -1.64 0.00 0.00 178.16 174.93 1p4x h PRO 189 N -0.30 -0.14 -0.55 1.82 0.11 -1.99 0.32 132.00 131.26 1p4x h PRO 189 Ca 0.14 0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.21 1p4x h PRO 189 Cb 0.58 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.70 1p4x h PRO 189 CO -0.61 -0.09 0.12 1.96 -0.21 0.00 0.00 178.00 179.17 1p4x h GLN 190 N -0.14 0.89 0.36 1.05 7.50 -1.92 -2.52 115.11 120.33 1p4x h GLN 190 Ca 0.18 -0.22 -0.02 0.00 0.50 0.00 0.00 58.65 59.09 1p4x h GLN 190 Cb 0.42 -0.11 0.00 0.00 0.05 0.00 0.00 27.48 27.84 1p4x h GLN 190 CO -0.44 0.84 -0.17 1.15 -1.50 0.00 0.00 178.83 178.71 1p4x h THR 191 N 0.79 0.66 -0.49 -0.54 2.02 -0.60 -1.51 112.91 113.24 1p4x h THR 191 Ca 0.17 -0.18 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1p4x h THR 191 Cb 0.36 0.75 -0.04 0.00 -1.74 0.00 0.00 68.15 67.49 1p4x h THR 191 CO 0.00 0.04 0.25 0.58 0.37 0.00 0.00 175.52 176.77 1p4x h VAL 192 N -0.58 0.98 -0.69 3.16 2.07 -1.00 -0.33 116.25 119.86 1p4x h VAL 192 Ca -0.05 -0.17 -0.03 0.00 0.82 0.00 0.00 66.70 67.27 1p4x h VAL 192 Cb 0.43 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1p4x h VAL 192 CO 0.08 0.09 0.31 0.03 0.02 0.00 0.00 177.57 178.10 1p4x h ARG 193 N 0.50 0.99 -0.46 1.57 3.08 -1.42 0.14 114.38 118.78 1p4x h ARG 193 Ca 0.21 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 60.09 1p4x h ARG 193 Cb 0.10 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 1p4x h ARG 193 CO -0.14 0.77 0.17 0.00 -1.07 0.00 0.00 179.97 179.70 1p4x h ALA 194 N 1.36 0.60 -0.44 0.04 0.00 -0.57 -1.79 119.26 118.46 1p4x h ALA 194 Ca 0.24 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1p4x h ALA 194 Cb 0.13 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1p4x h ALA 194 CO -0.03 0.23 -0.16 -0.07 0.00 0.00 0.00 179.25 179.22 1p4x h LEU 195 N 0.61 0.91 -1.27 0.00 3.38 -0.45 -1.25 115.31 117.23 1p4x h LEU 195 Ca 0.15 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.72 1p4x h LEU 195 Cb 0.23 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.70 1p4x h LEU 195 CO -0.01 1.09 0.27 0.78 0.09 0.00 0.00 178.44 180.65 1p4x h ASN 196 N 0.73 0.69 -0.07 -0.43 2.35 -0.57 0.24 115.58 118.51 1p4x h ASN 196 Ca 0.11 -0.06 -0.23 0.00 -0.55 0.00 0.00 56.30 55.56 1p4x h ASN 196 Cb 0.72 -0.18 0.01 0.00 0.05 0.00 0.00 38.32 38.92 1p4x h ASN 196 CO 0.05 0.59 -0.86 0.78 -1.65 0.00 0.00 177.43 176.34 1p4x h ASN 197 N 0.77 0.90 -0.72 5.81 2.35 -1.19 -1.75 115.58 121.75 1p4x h ASN 197 Ca 0.19 -0.63 -0.04 0.00 -0.55 0.00 0.00 56.30 55.27 1p4x h ASN 197 Cb 0.08 -0.27 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 1p4x h ASN 197 CO -0.03 1.43 0.29 -0.07 -1.65 0.00 0.00 177.43 177.41 1p4x h LEU 198 N 0.48 0.98 0.57 1.61 3.38 -0.61 -1.57 115.31 120.15 1p4x h LEU 198 Ca -0.07 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1p4x h LEU 198 Cb 1.49 -0.25 0.01 0.00 0.09 0.00 0.00 40.66 41.99 1p4x h LEU 198 CO 0.17 0.88 -0.27 0.50 0.09 0.00 0.00 178.44 179.81 1p4x h LYS 199 N 1.02 -0.74 -0.88 1.13 3.64 -0.53 -1.12 116.57 119.11 1p4x h LYS 199 Ca 0.24 0.05 0.22 0.00 -1.27 0.00 0.00 60.65 59.89 1p4x h LYS 199 Cb 0.20 0.17 -0.13 0.00 -0.41 0.00 0.00 32.23 32.06 1p4x h LYS 199 CO -0.02 -0.43 0.34 -0.22 -2.27 0.00 0.00 179.45 176.85 1p4x h LYS 200 N -0.96 0.34 0.00 1.90 3.64 -1.19 0.30 116.57 120.59 1p4x h LYS 200 Ca -0.08 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 1p4x h LYS 200 Cb 0.65 -0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1p4x h LYS 200 CO 0.13 0.23 0.00 1.96 -2.27 0.00 0.00 179.45 179.49 1p4x h GLN 201 N 0.35 0.00 0.00 1.90 4.20 -1.24 -3.47 115.11 116.85 1p4x h GLN 201 Ca 0.54 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.25 1p4x h GLN 201 Cb 1.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.81 1p4x h GLN 201 CO -0.55 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 178.02 1p4x n GLY 202 N 0.66 1.00 0.17 3.46 0.00 0.10 -5.00 105.19 105.58 1p4x n GLY 202 Ca 0.03 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.08 1p4x n GLY 202 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1p4x h TYR 203 N 0.00 0.00 -2.93 1.61 0.05 -1.39 -3.47 116.97 110.85 1p4x h TYR 203 Ca 0.00 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.84 1p4x h TYR 203 Cb 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 1p4x h TYR 203 CO 0.00 0.47 0.27 -0.48 -1.05 0.00 0.00 178.16 177.37 1p4x s LEU 204 N -7.41 -0.18 -0.10 3.88 0.05 -1.24 -4.82 118.68 108.86 1p4x s LEU 204 Ca -0.01 -0.72 -0.06 0.00 0.05 0.00 0.00 54.13 53.39 1p4x s LEU 204 Cb 0.12 2.69 -0.04 0.00 -2.05 0.00 0.00 46.19 46.91 1p4x s LEU 204 CO 0.72 -1.38 0.15 -0.63 -0.55 0.00 0.00 176.35 174.66 1p4x s ILE 205 N -3.44 5.50 -0.28 1.48 1.01 0.13 -4.34 121.20 121.25 1p4x s ILE 205 Ca 0.12 0.15 -0.04 0.00 0.00 0.00 0.00 60.65 60.88 1p4x s ILE 205 Cb -0.05 -3.43 0.10 0.00 0.01 0.00 0.00 42.46 39.09 1p4x s ILE 205 CO 0.08 0.57 0.12 -0.75 0.00 0.00 0.00 174.94 174.96 1p4x s LYS 206 N -1.19 0.23 0.29 2.79 2.36 -1.26 -1.96 119.74 120.99 1p4x s LYS 206 Ca 0.17 -0.54 0.02 0.00 -2.55 0.00 0.00 55.97 53.07 1p4x s LYS 206 Cb -0.12 -1.27 -0.05 0.00 -1.05 0.00 0.00 37.83 35.34 1p4x s LYS 206 CO 0.07 -0.99 0.09 -1.83 1.55 0.00 0.00 175.35 174.23 1p4x s GLU 207 N 2.06 1.52 0.16 4.03 -1.05 -0.30 -4.98 118.70 120.15 1p4x s GLU 207 Ca 0.09 -1.84 0.06 0.00 -0.15 0.00 0.00 54.97 53.13 1p4x s GLU 207 Cb -0.16 -0.48 -0.04 0.00 -0.44 0.00 0.00 34.13 33.01 1p4x s GLU 207 CO -0.34 -0.27 0.05 1.03 0.95 0.00 0.00 175.26 176.67 1p4x s ARG 208 N -3.96 2.59 0.67 -4.83 0.52 -1.26 0.81 118.95 113.48 1p4x s ARG 208 Ca 0.37 -1.01 -0.16 0.00 -0.52 0.00 0.00 55.73 54.41 1p4x s ARG 208 Cb 0.08 -2.47 0.01 0.00 0.52 0.00 0.00 34.95 33.08 1p4x s ARG 208 CO 0.15 0.47 1.18 0.45 0.02 0.00 0.00 175.30 177.57 1p4x s SER 209 N -2.96 4.74 0.01 0.23 0.15 -0.94 -4.88 113.70 110.06 1p4x s SER 209 Ca 0.29 2.27 0.23 0.00 0.70 0.00 0.00 55.95 59.44 1p4x s SER 209 Cb -0.10 -2.58 0.15 0.00 -1.71 0.00 0.00 66.02 61.78 1p4x s SER 209 CO 0.20 -1.89 1.15 0.35 1.20 0.00 0.00 173.24 174.26 1p4x n THR 210 N -2.28 0.03 -0.05 6.45 -2.24 -1.26 -3.48 114.28 111.44 1p4x n THR 210 Ca 0.13 -0.04 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 1p4x n THR 210 Cb 0.50 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 69.21 1p4x n THR 210 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1p4x n GLU 211 N -1.58 0.50 -3.71 -0.78 -0.58 -1.26 -4.71 120.64 108.52 1p4x n GLU 211 Ca 0.04 0.06 -0.29 0.00 -0.42 0.00 0.00 57.16 56.55 1p4x n GLU 211 Cb 0.35 -1.22 -0.10 0.00 -0.57 0.00 0.00 31.44 29.90 1p4x n GLU 211 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1p4x n ASP 212 N -2.78 3.52 0.00 1.62 4.64 -1.26 -4.91 116.55 117.38 1p4x n ASP 212 Ca -0.19 -3.27 0.00 0.00 -1.38 0.00 0.00 54.79 49.95 1p4x n ASP 212 Cb 0.72 -0.80 0.00 0.00 -1.04 0.00 0.00 41.12 40.00 1p4x n ASP 212 CO 0.00 0.00 0.00 -0.62 -0.82 0.00 0.00 177.20 175.76 1p4x n GLU 213 N 1.69 0.00 0.09 -0.67 1.02 -1.23 -1.61 120.64 119.94 1p4x n GLU 213 Ca 0.23 0.13 -0.06 0.00 -0.02 0.00 0.00 57.16 57.44 1p4x n GLU 213 Cb 0.37 -1.52 0.04 0.00 -0.02 0.00 0.00 31.44 30.30 1p4x n GLU 213 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1p4x h ARG 214 N 0.00 0.13 -6.56 3.49 1.12 -1.91 -3.43 114.38 107.22 1p4x h ARG 214 Ca 0.00 -0.13 -0.52 0.00 -1.11 0.00 0.00 59.98 58.23 1p4x h ARG 214 Cb 0.04 0.03 -0.03 0.00 -0.01 0.00 0.00 29.97 30.01 1p4x h ARG 214 CO 0.00 0.85 0.26 0.15 -3.11 0.00 0.00 179.97 178.12 1p4x s LYS 215 N -3.31 4.67 -0.30 0.20 1.02 -0.63 -5.01 119.74 116.38 1p4x s LYS 215 Ca -0.02 1.29 -0.06 0.00 0.02 0.00 0.00 55.97 57.20 1p4x s LYS 215 Cb 0.11 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 34.13 1p4x s LYS 215 CO 0.81 0.45 0.07 0.42 -0.92 0.00 0.00 175.35 176.17 1p4x s ILE 216 N -0.77 3.76 -0.10 2.17 -1.09 -1.26 -2.21 121.20 121.70 1p4x s ILE 216 Ca 0.40 -0.86 -0.14 0.00 -2.23 0.00 0.00 60.65 57.81 1p4x s ILE 216 Cb -0.24 -2.99 -0.05 0.00 -1.58 0.00 0.00 42.46 37.61 1p4x s ILE 216 CO 0.28 0.03 0.36 -0.76 -1.23 0.00 0.00 174.94 173.61 1p4x s LEU 217 N 1.45 4.34 -0.09 2.97 1.43 0.24 -1.35 118.68 127.66 1p4x s LEU 217 Ca 0.01 0.71 0.03 0.00 -1.03 0.00 0.00 54.13 53.85 1p4x s LEU 217 Cb -0.18 -2.48 0.01 0.00 0.03 0.00 0.00 46.19 43.57 1p4x s LEU 217 CO 0.02 0.17 -0.17 -0.63 0.23 0.00 0.00 176.35 175.97 1p4x s ILE 218 N -0.11 1.58 0.09 -0.59 1.01 0.11 -1.15 121.20 122.15 1p4x s ILE 218 Ca 0.21 -0.73 -0.26 0.00 0.00 0.00 0.00 60.65 59.87 1p4x s ILE 218 Cb -0.15 -1.41 0.09 0.00 0.01 0.00 0.00 42.46 41.01 1p4x s ILE 218 CO 0.08 0.45 1.14 -1.38 0.00 0.00 0.00 174.94 175.24 1p4x s HIS 219 N 0.64 -0.00 0.08 3.97 -3.43 -0.83 -0.62 115.29 115.10 1p4x s HIS 219 Ca -0.14 -0.25 0.07 0.00 -0.80 0.00 0.00 55.06 53.95 1p4x s HIS 219 Cb -0.16 0.62 -0.03 0.00 -1.43 0.00 0.00 32.58 31.58 1p4x s HIS 219 CO 0.04 -0.61 -0.19 -1.64 -2.00 0.00 0.00 174.74 170.34 1p4x s MET 220 N -2.39 1.13 0.54 -0.38 -1.94 -1.26 0.19 119.30 115.18 1p4x s MET 220 Ca 0.20 -1.05 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1p4x s MET 220 Cb -0.00 -1.30 0.03 0.00 2.01 0.00 0.00 34.83 35.57 1p4x s MET 220 CO 0.01 0.31 0.75 0.16 -0.01 0.00 0.00 175.02 176.25 1p4x s ASP 221 N -1.64 5.30 0.18 3.03 1.47 -1.26 -4.66 116.67 119.09 1p4x s ASP 221 Ca 0.05 -0.07 -0.24 0.00 1.18 0.00 0.00 52.55 53.47 1p4x s ASP 221 Cb -0.10 -0.82 0.06 0.00 -0.34 0.00 0.00 42.92 41.72 1p4x s ASP 221 CO 0.03 -1.11 1.46 -0.67 0.68 0.00 0.00 175.17 175.55 1p4x n ASP 222 N -2.29 -0.83 0.08 2.11 2.03 -1.26 -0.43 116.55 115.95 1p4x n ASP 222 Ca 0.08 1.66 -0.12 0.00 0.52 0.00 0.00 54.79 56.93 1p4x n ASP 222 Cb 0.60 -0.28 -0.05 0.00 -0.72 0.00 0.00 41.12 40.66 1p4x n ASP 222 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1p4x h ALA 223 N 0.82 -0.41 -0.87 -1.67 0.00 -2.00 -1.42 119.26 113.72 1p4x h ALA 223 Ca 0.23 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.16 1p4x h ALA 223 Cb 0.46 0.47 -0.06 0.00 0.00 0.00 0.00 17.79 18.66 1p4x h ALA 223 CO -0.91 -0.79 0.55 1.96 0.00 0.00 0.00 179.25 180.06 1p4x h GLN 224 N -0.44 1.01 0.21 0.00 4.20 -1.51 -1.49 115.11 117.10 1p4x h GLN 224 Ca 0.05 -0.06 0.01 0.00 0.06 0.00 0.00 58.65 58.71 1p4x h GLN 224 Cb 0.51 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 28.03 1p4x h GLN 224 CO -0.21 0.67 -0.29 1.96 -0.67 0.00 0.00 178.83 180.29 1p4x h GLN 225 N 1.04 -0.54 -0.34 1.46 1.08 -0.26 -1.06 115.11 116.48 1p4x h GLN 225 Ca 0.36 0.04 0.08 0.00 -1.45 0.00 0.00 58.65 57.67 1p4x h GLN 225 Cb 0.08 0.12 -0.08 0.00 -0.05 0.00 0.00 27.48 27.55 1p4x h GLN 225 CO -0.14 -0.36 -0.26 -0.44 -0.95 0.00 0.00 178.83 176.67 1p4x h ASP 226 N -0.56 -0.87 -0.07 1.46 3.32 -0.76 -0.18 116.42 118.76 1p4x h ASP 226 Ca 0.01 0.16 0.02 0.00 0.02 0.00 0.00 57.03 57.24 1p4x h ASP 226 Cb 0.55 0.42 -0.02 0.00 0.22 0.00 0.00 39.33 40.50 1p4x h ASP 226 CO -0.11 -0.28 -0.04 -0.74 -1.72 0.00 0.00 179.24 176.35 1p4x h HIS 227 N -0.22 -0.08 -0.97 4.55 2.76 -1.07 -2.19 115.15 117.92 1p4x h HIS 227 Ca 0.17 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.44 1p4x h HIS 227 Cb 0.49 0.05 -0.07 0.00 1.55 0.00 0.00 27.41 29.42 1p4x h HIS 227 CO -0.46 -0.06 0.62 0.00 -1.30 0.00 0.00 177.93 176.73 1p4x h ALA 228 N 1.03 1.50 0.46 5.26 0.00 -0.66 -0.96 119.26 125.89 1p4x h ALA 228 Ca 0.04 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1p4x h ALA 228 Cb 0.09 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1p4x h ALA 228 CO -0.09 0.31 -0.42 1.49 0.00 0.00 0.00 179.25 180.54 1p4x h GLU 229 N 1.04 -0.85 -0.55 0.00 4.57 -0.54 0.14 114.58 118.39 1p4x h GLU 229 Ca 0.45 0.06 0.11 0.00 -1.18 0.00 0.00 59.36 58.80 1p4x h GLU 229 Cb 0.33 0.19 -0.10 0.00 -0.16 0.00 0.00 28.75 29.01 1p4x h GLU 229 CO -0.20 -0.57 -0.08 1.96 -1.18 0.00 0.00 179.01 178.94 1p4x h GLN 230 N -0.88 0.04 0.01 1.92 4.20 -0.87 0.71 115.11 120.24 1p4x h GLN 230 Ca -0.05 -0.00 0.02 0.00 0.06 0.00 0.00 58.65 58.68 1p4x h GLN 230 Cb 0.77 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 28.51 1p4x h GLN 230 CO -0.04 0.03 -0.15 1.25 -0.67 0.00 0.00 178.83 179.25 1p4x h LEU 231 N 0.04 -0.43 -1.72 1.46 7.12 -0.77 0.32 115.31 121.33 1p4x h LEU 231 Ca 0.27 0.06 -0.01 0.00 0.13 0.00 0.00 57.88 58.34 1p4x h LEU 231 Cb 0.43 0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.73 1p4x h LEU 231 CO -0.53 -0.21 0.06 -0.07 -0.13 0.00 0.00 178.44 177.56 1p4x h LEU 232 N -0.25 0.21 -0.28 2.25 3.38 0.07 -2.02 115.31 118.67 1p4x h LEU 232 Ca 0.05 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.95 1p4x h LEU 232 Cb 0.31 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1p4x h LEU 232 CO -0.14 0.20 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 1p4x h ALA 233 N 1.83 0.37 -0.02 1.53 0.00 0.58 -1.54 119.26 122.01 1p4x h ALA 233 Ca 0.06 -0.24 0.01 0.00 0.00 0.00 0.00 54.91 54.74 1p4x h ALA 233 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1p4x h ALA 233 CO -0.01 0.14 -0.04 1.96 0.00 0.00 0.00 179.25 181.30 1p4x h GLN 234 N 0.28 -0.06 -0.38 0.00 4.20 0.25 -1.79 115.11 117.59 1p4x h GLN 234 Ca 0.08 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.83 1p4x h GLN 234 Cb 0.46 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1p4x h GLN 234 CO 0.02 -0.04 0.15 0.28 -0.67 0.00 0.00 178.83 178.57 1p4x h VAL 235 N -0.07 0.92 -0.32 -0.54 2.07 -1.36 -0.11 116.25 116.84 1p4x h VAL 235 Ca 0.03 -0.11 0.04 0.00 0.82 0.00 0.00 66.70 67.47 1p4x h VAL 235 Cb 0.10 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 1p4x h VAL 235 CO -0.06 0.06 0.21 0.78 0.02 0.00 0.00 177.57 178.58 1p4x h ASN 236 N 0.32 0.24 -0.04 0.57 -0.26 -1.07 -1.61 115.58 113.73 1p4x h ASN 236 Ca 0.17 -0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.90 1p4x h ASN 236 Cb 0.13 -0.06 -0.00 0.00 -1.06 0.00 0.00 38.32 37.33 1p4x h ASN 236 CO -0.16 0.17 -0.02 1.56 -1.06 0.00 0.00 177.43 177.92 1p4x h GLN 237 N 0.28 0.08 -0.55 0.81 4.20 -0.25 -2.72 115.11 116.96 1p4x h GLN 237 Ca 0.13 -0.03 0.16 0.00 0.06 0.00 0.00 58.65 58.97 1p4x h GLN 237 Cb 0.18 -0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 1p4x h GLN 237 CO -0.03 0.46 0.42 -0.07 -0.67 0.00 0.00 178.83 178.94 1p4x h LEU 238 N -0.30 0.00 -2.42 1.46 3.38 -0.15 0.30 115.31 117.57 1p4x h LEU 238 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1p4x h LEU 238 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 1p4x h LEU 238 CO 0.01 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.72 1p4x n LEU 239 N -4.24 3.55 -4.76 1.67 4.77 -0.83 -4.99 117.00 112.17 1p4x n LEU 239 Ca 0.10 -1.71 -0.41 0.00 -0.03 0.00 0.00 56.01 53.97 1p4x n LEU 239 Cb 0.65 -0.39 -0.03 0.00 -2.33 0.00 0.00 43.42 41.32 1p4x n LEU 239 CO 0.35 0.85 0.92 0.00 -1.33 0.00 0.00 177.39 178.19 1p4x s ALA 240 N -1.21 3.47 -0.39 -1.18 0.00 0.10 -4.25 121.76 118.30 1p4x s ALA 240 Ca 0.44 1.14 -0.35 0.00 0.00 0.00 0.00 51.96 53.18 1p4x s ALA 240 Cb 0.23 -3.43 0.05 0.00 0.00 0.00 0.00 23.12 19.97 1p4x s ALA 240 CO 0.31 -0.49 0.59 -0.25 0.00 0.00 0.00 175.76 175.92 1p4x n ASP 241 N 1.13 -4.96 0.00 0.00 8.00 -1.26 -4.89 116.55 114.58 1p4x n ASP 241 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.37 1p4x n ASP 241 Cb 0.43 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 1p4x n ASP 241 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1p4x n LYS 242 N -0.12 0.00 -3.57 -1.24 3.00 -1.26 -5.01 118.16 109.96 1p4x n LYS 242 Ca -0.08 0.00 -0.27 0.00 -0.00 0.00 0.00 58.31 57.97 1p4x n LYS 242 Cb 0.62 -0.21 0.05 0.00 0.00 0.00 0.00 35.03 35.48 1p4x n LYS 242 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1p4x n ASP 243 N 0.00 -5.42 0.28 3.14 -0.08 -1.26 -4.81 116.55 108.40 1p4x n ASP 243 Ca 0.00 -0.93 0.12 0.00 -1.51 0.00 0.00 54.79 52.47 1p4x n ASP 243 Cb 0.16 -3.90 0.78 0.00 2.34 0.00 0.00 41.12 40.51 1p4x n ASP 243 CO 0.00 0.00 0.00 1.12 0.12 0.00 0.00 177.20 178.44 1p4x h HIS 244 N -1.68 0.00 -0.04 -0.67 2.07 -1.95 -1.74 115.15 111.15 1p4x h HIS 244 Ca -0.65 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.87 1p4x h HIS 244 Cb 1.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.33 1p4x h HIS 244 CO 0.33 0.02 0.00 1.28 -3.07 0.00 0.00 177.93 176.50 1p4x n LEU 245 N -4.09 1.45 -2.87 6.12 4.77 -1.26 -4.19 117.00 116.93 1p4x n LEU 245 Ca -0.03 -0.51 -0.14 0.00 -0.03 0.00 0.00 56.01 55.31 1p4x n LEU 245 Cb 0.11 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1p4x n LEU 245 CO 0.30 0.25 -0.15 1.41 -1.33 0.00 0.00 177.39 177.88 1p4x n HIS 246 N 0.14 0.91 0.44 -1.77 8.25 -0.66 -4.59 115.22 117.95 1p4x n HIS 246 Ca 0.19 -3.23 0.13 0.00 -0.26 0.00 0.00 57.72 54.55 1p4x n HIS 246 Cb 0.34 -0.39 0.47 0.00 1.12 0.00 0.00 29.99 31.53 1p4x n HIS 246 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1p4x h LEU 247 N 2.99 0.00 0.00 2.41 3.38 -1.72 -3.39 115.31 118.98 1p4x h LEU 247 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1p4x h LEU 247 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1p4x h LEU 247 CO 0.52 0.00 -0.80 0.52 0.09 0.00 0.00 178.44 178.77 1p4x n VAL 248 N -2.37 0.10 -5.10 1.22 0.31 -1.26 -5.02 118.33 106.21 1p4x n VAL 248 Ca 0.03 0.03 -0.28 0.00 -0.01 0.00 0.00 64.34 64.11 1p4x n VAL 248 Cb 0.31 -1.39 -0.16 0.00 -0.91 0.00 0.00 33.84 31.70 1p4x n VAL 248 CO 0.00 0.00 0.00 -0.36 -1.32 0.00 0.00 176.83 175.15 1p4x s PHE 249 N -2.00 1.98 0.00 3.52 0.40 -1.26 -5.15 117.98 115.48 1p4x s PHE 249 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1p4x s PHE 249 Cb 0.00 -1.28 0.00 0.00 0.51 0.00 0.00 43.02 42.25 1p4x s PHE 249 CO 0.00 -0.04 0.00 0.39 0.70 0.00 0.00 175.22 176.27