#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2r4x h VAL 3 N 0.00 0.91 0.00 -3.33 3.04 -1.88 -1.34 116.25 113.65 2r4x h VAL 3 Ca 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 66.70 65.56 2r4x h VAL 3 Cb 0.00 0.98 -0.02 0.00 -2.01 0.00 0.00 31.29 30.24 2r4x h VAL 3 CO 0.00 0.00 -0.61 1.88 -1.01 0.00 0.00 177.57 177.83 2r4x h TYR 4 N 0.00 0.00 0.08 3.17 -1.99 -1.95 -2.07 116.97 114.20 2r4x h TYR 4 Ca 0.02 0.00 -0.26 0.00 2.00 0.00 0.00 58.73 60.49 2r4x h TYR 4 Cb 0.09 0.00 0.01 0.00 2.00 0.00 0.00 36.73 38.82 2r4x h TYR 4 CO 0.00 0.61 -1.12 -0.44 -0.00 0.00 0.00 178.16 177.21 2r4x h ASP 5 N 0.00 0.51 -0.33 3.88 3.32 -1.71 -3.09 116.42 119.00 2r4x h ASP 5 Ca -0.01 -0.48 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2r4x h ASP 5 Cb 1.10 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 2r4x h ASP 5 CO 0.08 1.32 0.11 0.00 -1.72 0.00 0.00 179.24 179.03 2r4x h ALA 6 N 0.62 0.43 -0.62 3.45 0.00 -1.28 -2.55 119.26 119.32 2r4x h ALA 6 Ca -0.12 -0.15 0.01 0.00 0.00 0.00 0.00 54.91 54.65 2r4x h ALA 6 Cb 1.80 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.43 2r4x h ALA 6 CO 0.19 0.06 0.41 0.00 0.00 0.00 0.00 179.25 179.91 2r4x h ALA 7 N 0.95 1.57 0.00 0.00 0.00 -1.45 -0.24 119.26 120.08 2r4x h ALA 7 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2r4x h ALA 7 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2r4x h ALA 7 CO -0.00 0.40 0.00 0.00 0.00 0.00 0.00 179.25 179.64 2r4x h ALA 8 N 1.62 1.00 0.00 0.00 0.00 -1.37 -1.33 119.26 119.18 2r4x h ALA 8 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2r4x h ALA 8 Cb -0.08 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2r4x h ALA 8 CO -0.05 0.00 0.00 1.04 0.00 0.00 0.00 179.25 180.24 2r4x n GLN 9 N -2.82 0.26 -2.67 0.00 1.13 -0.10 -4.43 117.38 108.75 2r4x n GLN 9 Ca -0.01 0.03 -0.43 0.00 -1.94 0.00 0.00 57.00 54.64 2r4x n GLN 9 Cb 0.12 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 28.97 2r4x n GLN 9 CO 0.00 0.00 0.00 1.28 -1.44 0.00 0.00 177.06 176.90 2r4x n LEU 10 N -1.36 5.04 -4.56 1.08 4.77 -0.51 -4.97 117.00 116.50 2r4x n LEU 10 Ca 0.11 -4.07 -0.30 0.00 -0.03 0.00 0.00 56.01 51.72 2r4x n LEU 10 Cb 0.25 -1.71 0.24 0.00 -2.33 0.00 0.00 43.42 39.87 2r4x n LEU 10 CO 0.22 0.32 0.59 0.42 -1.33 0.00 0.00 177.39 177.61 2r4x s THR 11 N 3.50 1.64 0.15 -5.08 -4.23 -1.26 -4.75 115.64 105.61 2r4x s THR 11 Ca 0.51 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.85 2r4x s THR 11 Cb 0.02 -2.40 0.00 0.00 1.34 0.00 0.00 72.50 71.47 2r4x s THR 11 CO 0.06 0.00 1.78 0.00 -0.54 0.00 0.00 174.62 175.92 2r4x h ALA 12 N -2.60 0.43 -0.08 3.99 0.00 -1.97 -1.80 119.26 117.22 2r4x h ALA 12 Ca -0.48 0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2r4x h ALA 12 Cb 1.31 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.01 2r4x h ALA 12 CO 0.38 -0.18 -0.53 -0.44 0.00 0.00 0.00 179.25 178.49 2r4x h ASP 13 N 0.38 0.25 -0.49 0.00 3.32 -1.99 -2.21 116.42 115.68 2r4x h ASP 13 Ca 0.14 -0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.02 2r4x h ASP 13 Cb 0.03 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 2r4x h ASP 13 CO -0.08 0.73 0.11 0.58 -1.72 0.00 0.00 179.24 178.87 2r4x h VAL 14 N 0.18 1.24 -0.64 -1.35 2.07 -1.86 -1.14 116.25 114.75 2r4x h VAL 14 Ca 0.00 -0.84 -0.04 0.00 0.82 0.00 0.00 66.70 66.63 2r4x h VAL 14 Cb 1.00 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 31.60 2r4x h VAL 14 CO 0.08 0.30 0.23 0.11 0.02 0.00 0.00 177.57 178.31 2r4x h LYS 15 N 0.66 0.97 -0.27 1.57 1.57 -1.19 -0.37 116.57 119.51 2r4x h LYS 15 Ca 0.15 -0.19 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2r4x h LYS 15 Cb 0.33 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 2r4x h LYS 15 CO 0.00 0.84 0.15 -0.22 -0.57 0.00 0.00 179.45 179.65 2r4x h LYS 16 N 0.91 0.38 -0.37 3.15 1.63 -1.17 -0.56 116.57 120.54 2r4x h LYS 16 Ca 0.21 -0.04 -0.05 0.00 -0.85 0.00 0.00 60.65 59.92 2r4x h LYS 16 Cb 0.25 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 31.78 2r4x h LYS 16 CO -0.01 0.33 0.03 -0.44 -3.45 0.00 0.00 179.45 175.90 2r4x h ASP 17 N 0.33 0.53 -0.20 4.20 3.32 -0.98 0.13 116.42 123.76 2r4x h ASP 17 Ca 0.10 -0.10 -0.01 0.00 0.02 0.00 0.00 57.03 57.04 2r4x h ASP 17 Cb 0.06 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 2r4x h ASP 17 CO -0.02 0.59 0.07 -0.07 -1.72 0.00 0.00 179.24 178.10 2r4x h LEU 18 N 0.55 0.29 -0.35 1.55 3.38 -0.56 -2.14 115.31 118.02 2r4x h LEU 18 Ca 0.12 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.85 2r4x h LEU 18 Cb 0.31 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2r4x h LEU 18 CO 0.01 0.39 0.00 0.03 0.09 0.00 0.00 178.44 178.96 2r4x h ARG 19 N 0.17 0.62 -0.62 1.13 3.08 -0.65 -1.29 114.38 116.82 2r4x h ARG 19 Ca 0.07 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.93 2r4x h ARG 19 Cb 0.20 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 2r4x h ARG 19 CO -0.00 0.74 0.41 -0.44 -1.07 0.00 0.00 179.97 179.61 2r4x h ASP 20 N 0.44 0.71 -0.19 7.04 3.32 -0.70 -1.58 116.42 125.45 2r4x h ASP 20 Ca 0.10 -0.02 -0.22 0.00 0.02 0.00 0.00 57.03 56.92 2r4x h ASP 20 Cb 0.46 -0.18 0.01 0.00 0.22 0.00 0.00 39.33 39.84 2r4x h ASP 20 CO 0.02 0.51 -0.72 0.77 -1.72 0.00 0.00 179.24 178.10 2r4x h SER 21 N 0.84 0.96 -0.34 6.45 4.64 -1.35 -3.16 113.55 121.60 2r4x h SER 21 Ca 0.23 -0.61 -0.00 0.00 -0.47 0.00 0.00 61.79 60.94 2r4x h SER 21 Cb -0.09 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 61.70 2r4x h SER 21 CO -0.05 1.40 0.21 -0.25 -0.87 0.00 0.00 176.83 177.27 2r4x h TRP 22 N 0.57 0.45 -0.67 4.77 2.91 -1.05 -0.11 115.95 122.82 2r4x h TRP 22 Ca -0.04 0.00 0.14 0.00 1.13 0.00 0.00 58.89 60.13 2r4x h TRP 22 Cb 1.35 -0.15 -0.04 0.00 -0.51 0.00 0.00 29.16 29.81 2r4x h TRP 22 CO 0.08 0.31 0.45 -0.22 -1.03 0.00 0.00 178.44 178.04 2r4x h LYS 23 N 0.48 0.29 0.00 2.65 3.64 -1.25 0.69 116.57 123.07 2r4x h LYS 23 Ca 0.13 -0.02 -0.26 0.00 -1.27 0.00 0.00 60.65 59.23 2r4x h LYS 23 Cb -0.01 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2r4x h LYS 23 CO -0.02 0.19 -1.40 0.28 -2.27 0.00 0.00 179.45 176.22 2r4x n VAL 24 N -4.45 1.54 -0.22 2.00 0.31 -0.46 -4.10 118.33 112.95 2r4x n VAL 24 Ca 0.12 -0.07 -0.06 0.00 -0.01 0.00 0.00 64.34 64.32 2r4x n VAL 24 Cb 0.53 -2.02 0.04 0.00 -0.91 0.00 0.00 33.84 31.47 2r4x n VAL 24 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 2r4x h ILE 25 N -1.00 1.20 0.00 2.52 1.08 -0.78 -2.43 117.51 118.10 2r4x h ILE 25 Ca -0.39 -0.52 0.00 0.00 -0.39 0.00 0.00 64.86 63.56 2r4x h ILE 25 Cb 1.34 0.41 0.00 0.00 -3.07 0.00 0.00 36.82 35.50 2r4x h ILE 25 CO -0.23 0.22 0.00 0.61 -0.69 0.00 0.00 178.15 178.06 2r4x n GLY 26 N -1.03 -0.80 0.21 5.37 0.00 0.24 -3.27 105.19 105.90 2r4x n GLY 26 Ca 0.04 -0.13 -0.05 0.00 0.00 0.00 0.00 46.02 45.88 2r4x n GLY 26 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2r4x h SER 27 N 0.00 0.42 -2.51 1.61 0.02 -1.58 -3.34 113.55 108.18 2r4x h SER 27 Ca 0.00 -0.19 -0.60 0.00 -0.84 0.00 0.00 61.79 60.16 2r4x h SER 27 Cb 0.06 -0.12 -0.41 0.00 0.14 0.00 0.00 62.40 62.07 2r4x h SER 27 CO 0.00 0.81 -0.69 -0.67 -1.14 0.00 0.00 176.83 175.14 2r4x n ASP 28 N -4.00 2.58 -0.27 3.07 2.03 -1.20 -4.95 116.55 113.81 2r4x n ASP 28 Ca -0.02 -3.15 0.00 0.00 0.52 0.00 0.00 54.79 52.14 2r4x n ASP 28 Cb 0.52 -0.69 0.13 0.00 -0.72 0.00 0.00 41.12 40.37 2r4x n ASP 28 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 2r4x h LYS 29 N 4.75 0.75 0.29 -0.67 1.57 -1.76 0.24 116.57 121.75 2r4x h LYS 29 Ca 0.17 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2r4x h LYS 29 Cb 0.75 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.89 2r4x h LYS 29 CO 0.70 0.50 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.71 2r4x h LYS 30 N 0.78 -0.38 -0.04 3.15 3.64 -1.92 0.47 116.57 122.27 2r4x h LYS 30 Ca 0.34 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.75 2r4x h LYS 30 Cb 0.23 0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.14 2r4x h LYS 30 CO -0.20 -0.06 0.02 0.78 -2.27 0.00 0.00 179.45 177.72 2r4x h GLY 31 N -0.74 0.05 2.00 5.01 0.00 -1.95 -2.02 103.07 105.42 2r4x h GLY 31 Ca -0.04 -0.02 -0.14 0.00 0.00 0.00 0.00 47.33 47.13 2r4x h GLY 31 CO 0.07 0.02 -0.64 3.43 0.00 0.00 0.00 176.54 179.42 2r4x h ASN 32 N -0.00 0.00 -0.19 0.19 -0.26 -1.05 -2.01 115.58 112.27 2r4x h ASN 32 Ca 0.01 -0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.72 2r4x h ASN 32 Cb 0.05 -0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2r4x h ASN 32 CO -0.00 0.65 0.00 1.23 -1.06 0.00 0.00 177.43 178.25 2r4x h GLY 33 N 1.92 0.36 1.54 2.83 0.00 -0.79 -0.55 103.07 108.38 2r4x h GLY 33 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 2r4x h GLY 33 CO 0.08 0.24 -0.16 -2.08 0.00 0.00 0.00 176.54 174.62 2r4x h VAL 34 N 0.09 1.25 -0.67 4.60 2.07 -1.35 -1.95 116.25 120.30 2r4x h VAL 34 Ca 0.05 -1.13 -0.05 0.00 0.82 0.00 0.00 66.70 66.39 2r4x h VAL 34 Cb 0.38 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 2r4x h VAL 34 CO 0.01 0.37 0.23 0.00 0.02 0.00 0.00 177.57 178.19 2r4x h ALA 35 N 1.33 1.14 0.11 1.67 0.00 -1.16 -0.44 119.26 121.91 2r4x h ALA 35 Ca 0.08 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 2r4x h ALA 35 Cb 0.57 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.10 2r4x h ALA 35 CO 0.04 0.60 -0.05 1.25 0.00 0.00 0.00 179.25 181.09 2r4x h LEU 36 N 0.98 -0.12 -0.46 0.00 5.85 -0.41 -1.91 115.31 119.24 2r4x h LEU 36 Ca 0.22 -0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 2r4x h LEU 36 Cb 0.25 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.29 2r4x h LEU 36 CO -0.01 0.01 0.11 0.24 -0.34 0.00 0.00 178.44 178.45 2r4x h MET 37 N -0.25 0.73 -0.32 1.25 2.86 -1.14 -1.41 114.93 116.64 2r4x h MET 37 Ca -0.02 -0.18 -0.08 0.00 -2.06 0.00 0.00 59.70 57.37 2r4x h MET 37 Cb 0.20 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.75 2r4x h MET 37 CO 0.02 0.73 -0.13 1.79 1.06 0.00 0.00 176.91 180.39 2r4x h THR 38 N 0.61 1.24 -0.23 2.22 1.35 -1.09 -1.73 112.91 115.28 2r4x h THR 38 Ca 0.14 -1.07 -0.15 0.00 -0.55 0.00 0.00 66.41 64.78 2r4x h THR 38 Cb 0.32 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2r4x h THR 38 CO 0.00 0.35 -0.49 0.74 -0.25 0.00 0.00 175.52 175.88 2r4x h THR 39 N 0.52 1.31 -0.02 6.82 2.02 -1.20 -1.19 112.91 121.17 2r4x h THR 39 Ca 0.09 -1.70 0.00 0.00 0.77 0.00 0.00 66.41 65.58 2r4x h THR 39 Cb 0.52 1.66 -0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2r4x h THR 39 CO 0.03 0.54 -0.00 0.25 0.37 0.00 0.00 175.52 176.71 2r4x h LEU 40 N 0.49 -0.01 -1.31 2.58 5.85 -0.76 -0.42 115.31 121.72 2r4x h LEU 40 Ca 0.02 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.68 2r4x h LEU 40 Cb 1.03 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2r4x h LEU 40 CO 0.10 -0.00 -0.34 -0.26 -0.34 0.00 0.00 178.44 177.59 2r4x h PHE 41 N 0.01 0.00 0.05 1.25 0.04 -1.24 0.20 116.94 117.25 2r4x h PHE 41 Ca 0.01 0.00 -0.24 0.00 2.80 0.00 0.00 57.97 60.54 2r4x h PHE 41 Cb 0.01 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.18 2r4x h PHE 41 CO -0.09 0.34 -0.98 0.00 -0.60 0.00 0.00 178.31 176.98 2r4x h ALA 42 N 1.66 0.04 0.00 2.45 0.00 -0.92 -2.99 119.26 119.50 2r4x h ALA 42 Ca -0.00 -0.69 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2r4x h ALA 42 Cb 0.63 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.49 2r4x h ALA 42 CO 0.04 0.57 -0.65 -0.44 0.00 0.00 0.00 179.25 178.77 2r4x h ASP 43 N 0.15 0.00 -2.03 0.00 5.19 -1.01 -3.39 116.42 115.33 2r4x h ASP 43 Ca -0.14 0.00 -0.56 0.00 -0.62 0.00 0.00 57.03 55.71 2r4x h ASP 43 Cb 1.67 0.00 -0.40 0.00 0.18 0.00 0.00 39.33 40.78 2r4x h ASP 43 CO 0.19 0.11 -1.03 0.59 -3.12 0.00 0.00 179.24 175.97 2r4x n ASN 44 N -2.90 0.83 -0.35 6.45 4.13 0.68 -4.95 115.26 119.16 2r4x n ASN 44 Ca 0.01 -2.85 0.31 0.00 1.68 0.00 0.00 54.58 53.73 2r4x n ASN 44 Cb 0.59 -0.64 0.65 0.00 -1.54 0.00 0.00 39.78 38.84 2r4x n ASN 44 CO 0.00 0.00 0.00 1.56 0.28 0.00 0.00 177.26 179.10 2r4x h GLN 45 N 3.91 0.15 -0.01 3.52 1.08 -1.72 -0.37 115.11 121.68 2r4x h GLN 45 Ca 0.09 -0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 2r4x h GLN 45 Cb 0.85 -0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 28.24 2r4x h GLN 45 CO 0.53 0.10 0.02 1.05 -0.95 0.00 0.00 178.83 179.58 2r4x h GLU 46 N 0.16 0.00 0.00 1.46 9.09 -1.92 -2.26 114.58 121.11 2r4x h GLU 46 Ca 0.61 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.02 2r4x h GLU 46 Cb 2.05 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.15 2r4x h GLU 46 CO -0.16 0.00 -0.14 1.79 0.05 0.00 0.00 179.01 180.55 2r4x h THR 47 N 0.00 0.00 -0.17 -1.06 1.35 -1.41 -3.33 112.91 108.28 2r4x h THR 47 Ca 0.00 -0.50 0.05 0.00 -0.55 0.00 0.00 66.41 65.41 2r4x h THR 47 Cb 0.04 1.41 -0.01 0.00 -1.73 0.00 0.00 68.15 67.87 2r4x h THR 47 CO -0.00 0.00 0.13 0.40 -0.25 0.00 0.00 175.52 175.80 2r4x h ILE 48 N 0.00 0.89 -0.02 6.82 2.04 -1.57 -2.07 117.51 123.61 2r4x h ILE 48 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 2r4x h ILE 48 Cb 0.75 0.91 -0.00 0.00 -0.74 0.00 0.00 36.82 37.74 2r4x h ILE 48 CO 0.00 0.00 0.02 1.23 0.00 0.00 0.00 178.15 179.40 2r4x h GLY 49 N 0.00 0.00 2.00 5.37 0.00 -1.78 -0.19 103.07 108.46 2r4x h GLY 49 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.41 2r4x h GLY 49 CO -0.00 0.00 0.00 -0.97 0.00 0.00 0.00 176.54 175.57 2r4x h TYR 50 N 0.00 0.00 -0.54 5.60 0.05 -1.65 -3.28 116.97 117.14 2r4x h TYR 50 Ca 0.01 0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.57 2r4x h TYR 50 Cb 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 37.65 2r4x h TYR 50 CO 0.00 0.00 0.15 1.19 -1.05 0.00 0.00 178.16 178.45 2r4x n PHE 51 N -2.44 1.72 -0.30 4.88 3.72 -0.09 -4.74 117.46 120.22 2r4x n PHE 51 Ca 0.05 -1.44 0.14 0.00 -0.05 0.00 0.00 57.45 56.14 2r4x n PHE 51 Cb 0.42 -0.59 0.31 0.00 -0.94 0.00 0.00 39.48 38.67 2r4x n PHE 51 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 2r4x h LYS 52 N 1.47 0.25 -0.50 -1.08 1.57 -1.63 0.13 116.57 116.77 2r4x h LYS 52 Ca 0.27 -0.01 0.15 0.00 -1.87 0.00 0.00 60.65 59.18 2r4x h LYS 52 Cb 2.00 -0.06 -0.02 0.00 0.08 0.00 0.00 32.23 34.23 2r4x h LYS 52 CO 0.57 0.16 0.44 -0.09 -0.57 0.00 0.00 179.45 179.96 2r4x h ARG 53 N 0.25 0.00 0.00 3.15 2.43 -1.92 -1.54 114.38 116.75 2r4x h ARG 53 Ca 0.57 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.74 2r4x h ARG 53 Cb 1.14 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2r4x h ARG 53 CO -0.62 0.00 0.00 -0.07 -1.51 0.00 0.00 179.97 177.77 2r4x h LEU 54 N 0.00 0.00 0.00 3.80 4.07 -1.12 -3.50 115.31 118.56 2r4x h LEU 54 Ca 0.24 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.20 2r4x h LEU 54 Cb 1.12 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.86 2r4x h LEU 54 CO -0.00 0.00 0.00 0.61 -1.08 0.00 0.00 178.44 177.97 2r4x n GLY 55 N 0.56 0.26 3.56 0.83 0.00 -0.58 -4.62 105.19 105.20 2r4x n GLY 55 Ca 0.03 -1.05 -0.36 0.00 0.00 0.00 0.00 46.02 44.64 2r4x n GLY 55 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2r4x s ASP 56 N -4.00 5.83 0.45 1.61 3.68 -1.26 -4.81 116.67 118.16 2r4x s ASP 56 Ca 0.00 -0.75 0.31 0.00 2.13 0.00 0.00 52.55 54.24 2r4x s ASP 56 Cb 0.00 -2.56 1.39 0.00 -1.45 0.00 0.00 42.92 40.30 2r4x s ASP 56 CO 0.00 -2.08 1.92 1.62 0.13 0.00 0.00 175.17 176.76 2r4x h VAL 57 N 6.81 0.00 0.00 1.11 3.04 -1.95 -2.73 116.25 122.53 2r4x h VAL 57 Ca 0.01 -0.27 0.00 0.00 -1.01 0.00 0.00 66.70 65.42 2r4x h VAL 57 Cb 1.04 1.12 0.00 0.00 -2.01 0.00 0.00 31.29 31.44 2r4x h VAL 57 CO 1.30 0.00 0.00 -1.54 -1.01 0.00 0.00 177.57 176.32 2r4x n SER 58 N -2.70 0.75 0.30 3.17 3.41 -1.26 -2.42 113.62 114.86 2r4x n SER 58 Ca 0.00 0.65 0.18 0.00 -0.26 0.00 0.00 58.87 59.44 2r4x n SER 58 Cb 0.21 -0.82 0.88 0.00 -0.26 0.00 0.00 64.21 64.22 2r4x n SER 58 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 2r4x h GLN 59 N 0.00 0.00 0.00 4.33 1.08 -1.90 -3.48 115.11 115.15 2r4x h GLN 59 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2r4x h GLN 59 Cb 0.48 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 2r4x h GLN 59 CO 0.00 0.03 0.00 0.41 -0.95 0.00 0.00 178.83 178.32 2r4x n GLY 60 N -0.49 3.11 0.47 3.46 0.00 -1.02 -2.75 105.19 107.97 2r4x n GLY 60 Ca -0.01 -0.24 0.29 0.00 0.00 0.00 0.00 46.02 46.05 2r4x n GLY 60 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2r4x h MET 61 N 0.00 0.00 0.00 1.61 1.85 -1.92 0.54 114.93 117.02 2r4x h MET 61 Ca 0.00 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.09 2r4x h MET 61 Cb 0.00 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 32.03 2r4x h MET 61 CO 0.00 0.00 -0.02 0.00 -0.40 0.00 0.00 176.91 176.49 2r4x h ALA 62 N 1.54 1.01 -1.74 0.39 0.00 -1.93 -3.41 119.26 115.11 2r4x h ALA 62 Ca 0.43 -0.02 -0.58 0.00 0.00 0.00 0.00 54.91 54.74 2r4x h ALA 62 Cb 1.73 -0.00 -0.09 0.00 0.00 0.00 0.00 17.79 19.43 2r4x h ALA 62 CO -0.00 0.03 0.80 1.21 0.00 0.00 0.00 179.25 181.29 2r4x s ASN 63 N -5.76 6.50 0.21 0.00 3.84 0.18 -4.92 114.94 114.99 2r4x s ASN 63 Ca 0.01 0.14 -0.09 0.00 0.21 0.00 0.00 52.86 53.13 2r4x s ASN 63 Cb 0.09 -2.51 0.26 0.00 -0.55 0.00 0.00 41.25 38.55 2r4x s ASN 63 CO 0.56 -1.27 1.78 0.44 -2.79 0.00 0.00 177.10 175.82 2r4x h ASP 64 N 9.30 0.43 -0.49 -4.21 3.32 -1.86 -0.39 116.42 122.53 2r4x h ASP 64 Ca -0.24 0.05 -0.05 0.00 0.02 0.00 0.00 57.03 56.80 2r4x h ASP 64 Cb 1.06 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 2r4x h ASP 64 CO 1.12 0.26 0.09 0.11 -1.72 0.00 0.00 179.24 179.10 2r4x h LYS 65 N 0.57 0.80 -0.83 3.56 1.57 -1.91 0.24 116.57 120.56 2r4x h LYS 65 Ca 0.31 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 2r4x h LYS 65 Cb 0.28 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2r4x h LYS 65 CO -0.23 0.79 0.43 1.25 -0.57 0.00 0.00 179.45 181.12 2r4x h LEU 66 N 0.67 1.07 -0.81 2.94 5.85 -1.72 -1.72 115.31 121.58 2r4x h LEU 66 Ca 0.15 -0.12 -0.09 0.00 0.84 0.00 0.00 57.88 58.66 2r4x h LEU 66 Cb 0.37 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 2r4x h LEU 66 CO 0.01 0.88 -0.08 -0.09 -0.34 0.00 0.00 178.44 178.82 2r4x h ARG 67 N 1.17 0.81 -0.02 1.25 2.43 -0.78 -0.62 114.38 118.63 2r4x h ARG 67 Ca 0.29 -0.26 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2r4x h ARG 67 Cb 0.07 -0.07 -0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2r4x h ARG 67 CO -0.04 0.87 -0.01 0.78 -1.51 0.00 0.00 179.97 180.06 2r4x h GLY 68 N 0.98 0.01 0.96 2.80 0.00 -0.20 -1.47 103.07 106.15 2r4x h GLY 68 Ca 0.13 0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 2r4x h GLY 68 CO 0.03 -0.01 0.15 -2.08 0.00 0.00 0.00 176.54 174.63 2r4x h VAL 69 N -0.00 1.23 -0.15 4.60 2.07 -1.17 -2.34 116.25 120.48 2r4x h VAL 69 Ca 0.01 -0.76 0.04 0.00 0.82 0.00 0.00 66.70 66.81 2r4x h VAL 69 Cb 0.01 0.82 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 2r4x h VAL 69 CO -0.02 0.27 -0.09 0.28 0.02 0.00 0.00 177.57 178.04 2r4x h SER 70 N 0.63 -0.30 -0.22 0.57 0.02 -0.93 0.15 113.55 113.48 2r4x h SER 70 Ca 0.15 0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.16 2r4x h SER 70 Cb 0.27 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 2r4x h SER 70 CO -0.00 -0.12 0.11 0.40 -1.14 0.00 0.00 176.83 176.07 2r4x h ILE 71 N -0.09 1.13 -0.69 3.27 2.04 -1.26 -2.85 117.51 119.06 2r4x h ILE 71 Ca 0.09 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.58 2r4x h ILE 71 Cb 0.22 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 37.25 2r4x h ILE 71 CO -0.21 0.13 0.46 0.74 0.00 0.00 0.00 178.15 179.27 2r4x h THR 72 N 0.23 1.16 -0.93 -0.27 2.02 -1.06 -1.80 112.91 112.25 2r4x h THR 72 Ca 0.08 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2r4x h THR 72 Cb 0.11 0.16 -0.04 0.00 -1.74 0.00 0.00 68.15 66.64 2r4x h THR 72 CO -0.01 0.17 0.55 0.25 0.37 0.00 0.00 175.52 176.84 2r4x h LEU 73 N 0.92 1.14 -1.36 2.58 6.46 -0.49 -2.13 115.31 122.42 2r4x h LEU 73 Ca 0.26 -0.08 -0.06 0.00 -0.12 0.00 0.00 57.88 57.88 2r4x h LEU 73 Cb -0.07 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 39.56 2r4x h LEU 73 CO -0.06 0.89 -0.20 0.24 -0.62 0.00 0.00 178.44 178.68 2r4x h MET 74 N 1.29 0.17 0.00 1.25 2.86 -1.12 -1.37 114.93 118.02 2r4x h MET 74 Ca 0.33 -0.05 0.00 0.00 -2.06 0.00 0.00 59.70 57.93 2r4x h MET 74 Cb -0.03 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.61 2r4x h MET 74 CO -0.06 0.38 0.00 0.66 1.06 0.00 0.00 176.91 178.95 2r4x n TYR 75 N -4.23 0.91 0.12 -0.22 4.01 -0.83 -1.10 117.16 115.83 2r4x n TYR 75 Ca -0.01 0.31 -0.20 0.00 -0.16 0.00 0.00 57.90 57.84 2r4x n TYR 75 Cb 0.31 -1.00 -0.15 0.00 -0.31 0.00 0.00 39.34 38.19 2r4x n TYR 75 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2r4x h ALA 76 N 2.39 -0.01 -0.29 -0.72 0.00 -0.97 -2.15 119.26 117.50 2r4x h ALA 76 Ca 0.00 -0.88 -0.16 0.00 0.00 0.00 0.00 54.91 53.87 2r4x h ALA 76 Cb 0.56 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2r4x h ALA 76 CO 0.00 0.86 -0.46 -0.07 0.00 0.00 0.00 179.25 179.58 2r4x h LEU 77 N 0.11 0.83 -0.60 0.00 3.38 -1.15 -1.67 115.31 116.21 2r4x h LEU 77 Ca -0.19 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.40 2r4x h LEU 77 Cb 2.06 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 42.54 2r4x h LEU 77 CO 0.23 1.16 0.36 -0.61 0.09 0.00 0.00 178.44 179.68 2r4x h GLN 78 N 0.61 0.70 -0.11 1.13 5.75 -1.12 -1.50 115.11 120.56 2r4x h GLN 78 Ca 0.04 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.51 2r4x h GLN 78 Cb 1.03 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 29.40 2r4x h GLN 78 CO 0.10 0.46 0.01 -0.97 -2.65 0.00 0.00 178.83 175.78 2r4x h ASN 79 N 0.72 -0.03 -0.19 -0.69 -0.73 -1.06 -1.46 115.58 112.14 2r4x h ASN 79 Ca 0.24 0.02 0.01 0.00 1.87 0.00 0.00 56.30 58.45 2r4x h ASN 79 Cb 0.02 0.04 -0.02 0.00 0.27 0.00 0.00 38.32 38.63 2r4x h ASN 79 CO -0.10 0.00 0.08 -0.26 -0.37 0.00 0.00 177.43 176.78 2r4x h PHE 80 N 0.05 0.14 -0.45 0.67 0.04 -0.94 -2.16 116.94 114.29 2r4x h PHE 80 Ca 0.05 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.89 2r4x h PHE 80 Cb 0.06 -0.04 -0.05 0.00 2.20 0.00 0.00 35.95 38.12 2r4x h PHE 80 CO -0.13 0.08 0.17 0.82 -0.60 0.00 0.00 178.31 178.64 2r4x h ILE 81 N 0.18 0.86 0.00 -0.55 1.08 -1.11 -1.64 117.51 116.33 2r4x h ILE 81 Ca 0.08 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.42 2r4x h ILE 81 Cb 0.03 0.49 -0.00 0.00 -3.07 0.00 0.00 36.82 34.28 2r4x h ILE 81 CO -0.07 0.06 -0.07 0.44 -0.69 0.00 0.00 178.15 177.82 2r4x h ASP 82 N 0.34 0.00 -0.01 1.72 3.32 -0.95 -2.20 116.42 118.63 2r4x h ASP 82 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2r4x h ASP 82 Cb 0.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.75 2r4x h ASP 82 CO -0.21 0.07 -0.01 0.00 -1.72 0.00 0.00 179.24 177.38 2r4x n GLN 83 N -3.69 1.72 0.14 3.56 1.13 -0.64 -4.38 117.38 115.22 2r4x n GLN 83 Ca -0.02 -1.06 0.18 0.00 -1.94 0.00 0.00 57.00 54.16 2r4x n GLN 83 Cb 0.18 -1.48 0.77 0.00 0.11 0.00 0.00 30.24 29.82 2r4x n GLN 83 CO 0.00 0.00 0.00 -0.07 -1.44 0.00 0.00 177.06 175.55 2r4x h LEU 84 N 2.58 0.00 -0.74 1.08 3.38 -1.12 -2.19 115.31 118.30 2r4x h LEU 84 Ca 0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2r4x h LEU 84 Cb 0.55 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2r4x h LEU 84 CO 0.00 0.00 -0.32 0.44 0.09 0.00 0.00 178.44 178.65 2r4x h ASP 85 N 0.00 0.62 -3.74 -0.43 3.32 -1.82 -3.41 116.42 110.96 2r4x h ASP 85 Ca 0.14 -0.25 -0.67 0.00 0.02 0.00 0.00 57.03 56.27 2r4x h ASP 85 Cb 0.69 -0.17 -0.37 0.00 0.22 0.00 0.00 39.33 39.70 2r4x h ASP 85 CO -0.00 0.90 -0.72 0.21 -1.72 0.00 0.00 179.24 177.91 2r4x s ASN 86 N -6.82 4.75 0.44 6.45 3.84 -0.82 -4.99 114.94 117.79 2r4x s ASN 86 Ca -0.08 -1.71 0.18 0.00 0.21 0.00 0.00 52.86 51.46 2r4x s ASN 86 Cb 0.13 -1.64 1.12 0.00 -0.55 0.00 0.00 41.25 40.31 2r4x s ASN 86 CO 0.82 -0.31 1.92 -0.65 -2.79 0.00 0.00 177.10 176.08 2r4x h PRO 87 N 7.80 0.33 -0.12 0.43 0.11 -1.80 -0.12 132.00 138.62 2r4x h PRO 87 Ca -0.14 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.85 2r4x h PRO 87 Cb 1.04 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 2r4x h PRO 87 CO 0.52 0.22 -0.39 -0.44 -0.21 0.00 0.00 178.00 177.71 2r4x h ASP 88 N 0.34 0.27 0.43 -2.05 3.32 -1.94 -1.06 116.42 115.73 2r4x h ASP 88 Ca 0.37 -0.11 -0.31 0.00 0.02 0.00 0.00 57.03 57.01 2r4x h ASP 88 Cb 0.96 -0.07 0.02 0.00 0.22 0.00 0.00 39.33 40.46 2r4x h ASP 88 CO -0.11 0.64 -1.37 0.44 -1.72 0.00 0.00 179.24 177.12 2r4x h ASP 89 N 0.22 0.66 -0.05 6.45 3.32 -1.39 -2.99 116.42 122.63 2r4x h ASP 89 Ca 0.02 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.37 2r4x h ASP 89 Cb 0.78 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2r4x h ASP 89 CO 0.06 1.55 0.02 0.25 -1.72 0.00 0.00 179.24 179.40 2r4x h LEU 90 N 0.12 0.02 -0.05 1.55 5.85 -1.03 -2.15 115.31 119.62 2r4x h LEU 90 Ca -0.20 0.01 0.01 0.00 0.84 0.00 0.00 57.88 58.53 2r4x h LEU 90 Cb 2.08 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.10 2r4x h LEU 90 CO 0.24 0.02 -0.00 0.58 -0.34 0.00 0.00 178.44 178.94 2r4x h VAL 91 N 0.04 0.96 -0.29 1.05 2.07 -1.28 0.16 116.25 118.96 2r4x h VAL 91 Ca 0.02 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2r4x h VAL 91 Cb 0.01 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 30.71 2r4x h VAL 91 CO -0.03 0.00 0.12 0.00 0.02 0.00 0.00 177.57 177.69 2r4x h VAL 93 N 0.41 1.28 -0.37 0.00 2.07 -0.99 -2.40 116.25 116.25 2r4x h VAL 93 Ca 0.10 -1.90 -0.05 0.00 0.82 0.00 0.00 66.70 65.67 2r4x h VAL 93 Cb 0.07 1.86 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 2r4x h VAL 93 CO -0.01 0.61 0.03 0.58 0.02 0.00 0.00 177.57 178.79 2r4x h VAL 94 N 0.57 1.25 -0.80 2.57 2.07 -0.19 -2.22 116.25 119.50 2r4x h VAL 94 Ca -0.03 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 2r4x h VAL 94 Cb 1.31 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 32.17 2r4x h VAL 94 CO 0.14 0.31 0.49 -0.33 0.02 0.00 0.00 177.57 178.21 2r4x h GLU 95 N 0.46 1.07 -0.60 1.57 5.08 -0.54 0.94 114.58 122.55 2r4x h GLU 95 Ca 0.11 -0.09 -0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2r4x h GLU 95 Cb 0.42 -0.23 -0.03 0.00 0.50 0.00 0.00 28.75 29.41 2r4x h GLU 95 CO 0.01 0.74 0.29 -0.22 -1.00 0.00 0.00 179.01 178.83 2r4x h LYS 96 N 1.09 0.87 -0.22 2.33 1.63 -1.21 -1.24 116.57 119.82 2r4x h LYS 96 Ca 0.29 -0.13 -0.11 0.00 -0.85 0.00 0.00 60.65 59.85 2r4x h LYS 96 Cb -0.07 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.39 2r4x h LYS 96 CO -0.06 0.70 -0.35 0.74 -3.45 0.00 0.00 179.45 177.03 2r4x h PHE 97 N 0.82 0.55 -0.56 1.91 0.04 -0.75 -2.97 116.94 115.98 2r4x h PHE 97 Ca 0.21 -0.14 -0.03 0.00 2.80 0.00 0.00 57.97 60.80 2r4x h PHE 97 Cb 0.11 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.11 2r4x h PHE 97 CO -0.00 0.76 0.22 0.00 -0.60 0.00 0.00 178.31 178.69 2r4x h ALA 98 N 1.23 0.72 -0.45 2.45 0.00 -0.24 -2.94 119.26 120.04 2r4x h ALA 98 Ca 0.05 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2r4x h ALA 98 Cb 0.80 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 18.28 2r4x h ALA 98 CO 0.06 0.34 -0.16 0.28 0.00 0.00 0.00 179.25 179.78 2r4x h VAL 99 N 0.76 0.47 0.00 0.00 2.07 -1.09 0.19 116.25 118.65 2r4x h VAL 99 Ca 0.18 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.67 2r4x h VAL 99 Cb 0.21 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.44 2r4x h VAL 99 CO -0.01 0.00 -0.14 0.78 0.02 0.00 0.00 177.57 178.21 2r4x h ASN 100 N -0.06 0.00 0.49 0.57 2.35 -1.47 -2.14 115.58 115.33 2r4x h ASN 100 Ca 0.22 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.67 2r4x h ASN 100 Cb 0.39 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.77 2r4x h ASN 100 CO -0.49 0.14 -1.41 0.45 -1.65 0.00 0.00 177.43 174.47 2r4x h HIS 101 N 0.00 0.57 -0.52 1.19 3.86 -1.13 -3.24 115.15 115.88 2r4x h HIS 101 Ca -0.00 -0.41 0.02 0.00 -1.16 0.00 0.00 60.37 58.82 2r4x h HIS 101 Cb 0.29 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.71 2r4x h HIS 101 CO 0.00 1.38 0.31 0.82 0.86 0.00 0.00 177.93 181.30 2r4x h ILE 102 N 0.09 1.06 -0.51 2.45 2.04 -0.28 -0.71 117.51 121.65 2r4x h ILE 102 Ca -0.20 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.57 2r4x h ILE 102 Cb 2.03 0.38 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2r4x h ILE 102 CO 0.20 0.11 0.36 0.74 0.00 0.00 0.00 178.15 179.56 2r4x h THR 103 N 0.63 0.80 -0.37 -0.27 2.02 -1.46 0.47 112.91 114.72 2r4x h THR 103 Ca 0.20 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.34 2r4x h THR 103 Cb 0.01 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.09 2r4x h THR 103 CO -0.09 0.02 0.00 0.54 0.37 0.00 0.00 175.52 176.37 2r4x n ARG 104 N -4.42 1.85 -3.71 6.66 1.74 -0.34 -4.92 116.66 113.53 2r4x n ARG 104 Ca 0.09 -1.33 -0.25 0.00 -0.77 0.00 0.00 57.85 55.59 2r4x n ARG 104 Cb 0.50 -1.29 0.06 0.00 -1.02 0.00 0.00 32.46 30.70 2r4x n ARG 104 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2r4x n LYS 105 N 0.58 -6.54 -3.47 5.56 5.02 0.16 -4.96 118.16 114.51 2r4x n LYS 105 Ca 0.12 0.72 -0.38 0.00 -2.02 0.00 0.00 58.31 56.75 2r4x n LYS 105 Cb 0.31 -5.65 -0.09 0.00 -0.02 0.00 0.00 35.03 29.58 2r4x n LYS 105 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2r4x s ILE 106 N -3.37 5.23 0.64 -0.18 -1.09 -0.79 -5.03 121.20 116.62 2r4x s ILE 106 Ca 0.47 0.45 -0.05 0.00 -2.23 0.00 0.00 60.65 59.28 2r4x s ILE 106 Cb -0.22 -3.64 0.04 0.00 -1.58 0.00 0.00 42.46 37.06 2r4x s ILE 106 CO 0.78 0.22 0.94 -0.94 -1.23 0.00 0.00 174.94 174.70 2r4x s SER 107 N 1.50 5.20 0.31 3.58 1.04 -1.26 -4.50 113.70 119.57 2r4x s SER 107 Ca 0.13 0.51 -0.01 0.00 0.48 0.00 0.00 55.95 57.07 2r4x s SER 107 Cb -0.15 -1.34 0.50 0.00 0.10 0.00 0.00 66.02 65.12 2r4x s SER 107 CO 0.09 -1.31 1.98 0.00 0.98 0.00 0.00 173.24 174.97 2r4x h ALA 108 N -0.34 1.45 -0.56 5.32 0.00 -1.87 0.42 119.26 123.68 2r4x h ALA 108 Ca -0.45 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.30 2r4x h ALA 108 Cb 1.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2r4x h ALA 108 CO 0.60 0.50 -0.07 0.00 0.00 0.00 0.00 179.25 180.27 2r4x h ALA 109 N 1.51 0.77 -0.21 0.00 0.00 -1.94 -1.27 119.26 118.11 2r4x h ALA 109 Ca 0.29 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2r4x h ALA 109 Cb -0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 2r4x h ALA 109 CO -0.07 0.66 -0.03 1.49 0.00 0.00 0.00 179.25 181.30 2r4x h GLU 110 N 0.93 0.40 -0.86 0.00 4.57 -1.77 -3.03 114.58 114.82 2r4x h GLU 110 Ca 0.15 -0.15 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2r4x h GLU 110 Cb 0.64 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.16 2r4x h GLU 110 CO 0.04 0.63 0.57 0.35 -1.18 0.00 0.00 179.01 179.42 2r4x h PHE 111 N 0.14 1.04 0.00 0.92 3.57 -0.83 -1.75 116.94 120.03 2r4x h PHE 111 Ca 0.06 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2r4x h PHE 111 Cb 0.47 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.86 2r4x h PHE 111 CO 0.05 0.61 0.00 0.41 -2.23 0.00 0.00 178.31 177.14 2r4x n GLY 112 N -1.40 -0.76 0.12 2.40 0.00 -0.49 -2.65 105.19 102.40 2r4x n GLY 112 Ca 0.11 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.21 2r4x n GLY 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2r4x n LYS 113 N -1.48 0.15 0.13 1.61 5.02 -0.66 -1.86 118.16 121.06 2r4x n LYS 113 Ca 0.02 0.46 0.13 0.00 -2.02 0.00 0.00 58.31 56.89 2r4x n LYS 113 Cb 0.09 -1.83 0.45 0.00 -0.02 0.00 0.00 35.03 33.72 2r4x n LYS 113 CO 0.00 0.00 0.00 -0.12 -0.52 0.00 0.00 177.40 176.76 2r4x n MET 114 N -2.12 0.24 -0.18 1.97 1.56 -1.08 -3.18 117.12 114.32 2r4x n MET 114 Ca 0.01 0.33 0.00 0.00 -0.27 0.00 0.00 57.70 57.78 2r4x n MET 114 Cb 0.17 -1.86 0.25 0.00 2.15 0.00 0.00 33.22 33.93 2r4x n MET 114 CO 0.00 0.00 0.00 -0.91 -0.73 0.00 0.00 175.97 174.33 2r4x h ASN 115 N 0.00 0.81 0.49 6.12 -0.26 -1.63 -1.65 115.58 119.46 2r4x h ASN 115 Ca 0.00 -0.05 -0.02 0.00 -0.56 0.00 0.00 56.30 55.67 2r4x h ASN 115 Cb 0.55 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.61 2r4x h ASN 115 CO 0.00 0.63 -0.24 1.23 -1.06 0.00 0.00 177.43 177.99 2r4x h GLY 116 N 0.96 -0.69 0.66 2.83 0.00 -1.77 -0.47 103.07 104.59 2r4x h GLY 116 Ca 0.24 0.26 0.06 0.00 0.00 0.00 0.00 47.33 47.88 2r4x h GLY 116 CO -0.04 -0.25 0.27 -2.55 0.00 0.00 0.00 176.54 173.96 2r4x h PRO 117 N -0.68 0.50 -0.69 4.80 0.11 -1.69 -1.20 132.00 133.15 2r4x h PRO 117 Ca -0.07 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.02 2r4x h PRO 117 Cb 0.52 -0.11 -0.03 0.00 0.11 0.00 0.00 31.00 31.48 2r4x h PRO 117 CO 0.11 0.33 0.44 0.82 -0.21 0.00 0.00 178.00 179.49 2r4x h ILE 118 N 0.51 1.19 -0.77 4.15 2.04 -1.20 0.11 117.51 123.53 2r4x h ILE 118 Ca 0.25 -0.37 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2r4x h ILE 118 Cb 0.19 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.43 2r4x h ILE 118 CO -0.19 0.18 0.45 0.50 0.00 0.00 0.00 178.15 179.10 2r4x h LYS 119 N 0.93 1.06 -0.18 2.37 3.64 -0.49 -0.60 116.57 123.31 2r4x h LYS 119 Ca 0.25 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2r4x h LYS 119 Cb -0.08 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.52 2r4x h LYS 119 CO -0.05 0.76 -0.03 0.87 -2.27 0.00 0.00 179.45 178.73 2r4x h LYS 120 N 1.06 0.34 -0.49 1.90 1.57 -0.64 -1.26 116.57 119.05 2r4x h LYS 120 Ca 0.28 -0.12 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 2r4x h LYS 120 Cb -0.02 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.25 2r4x h LYS 120 CO -0.05 0.59 0.06 0.28 -0.57 0.00 0.00 179.45 179.76 2r4x h VAL 121 N 0.05 1.23 -0.08 0.50 2.07 -0.90 -1.38 116.25 117.75 2r4x h VAL 121 Ca 0.05 -0.89 -0.00 0.00 0.82 0.00 0.00 66.70 66.68 2r4x h VAL 121 Cb 0.46 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.02 2r4x h VAL 121 CO 0.02 0.32 0.04 0.25 0.02 0.00 0.00 177.57 178.22 2r4x h LEU 122 N 0.74 0.11 -1.39 2.57 5.85 -1.02 -2.79 115.31 119.37 2r4x h LEU 122 Ca 0.15 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 2r4x h LEU 122 Cb 0.36 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.34 2r4x h LEU 122 CO 0.01 0.19 0.15 0.00 -0.34 0.00 0.00 178.44 178.45 2r4x h ALA 123 N 0.92 1.53 0.00 1.25 0.00 -0.94 0.10 119.26 122.11 2r4x h ALA 123 Ca 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2r4x h ALA 123 Cb 0.11 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2r4x h ALA 123 CO -0.00 0.37 0.00 0.66 0.00 0.00 0.00 179.25 180.27 2r4x h SER 124 N 0.56 0.00 -0.35 0.00 4.64 -0.99 -1.43 113.55 115.99 2r4x h SER 124 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2r4x h SER 124 Cb 0.12 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2r4x h SER 124 CO -0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.24 2r4x n LYS 125 N -2.91 3.33 -1.34 4.77 4.76 -0.06 -4.96 118.16 121.75 2r4x n LYS 125 Ca -0.01 -2.84 -0.06 0.00 -2.87 0.00 0.00 58.31 52.52 2r4x n LYS 125 Cb 0.16 -1.88 -0.02 0.00 -1.84 0.00 0.00 35.03 31.44 2r4x n LYS 125 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2r4x n ASN 126 N -0.13 -3.58 -4.41 4.39 3.02 -0.54 -5.02 115.26 108.99 2r4x n ASN 126 Ca 0.22 0.13 -0.37 0.00 -0.03 0.00 0.00 54.58 54.53 2r4x n ASN 126 Cb 0.91 -1.85 -0.12 0.00 -0.61 0.00 0.00 39.78 38.11 2r4x n ASN 126 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2r4x s PHE 127 N -2.25 3.12 0.00 3.10 0.08 -0.70 -4.99 117.98 116.34 2r4x s PHE 127 Ca 0.00 -0.63 0.00 0.00 0.12 0.00 0.00 56.93 56.42 2r4x s PHE 127 Cb 0.00 -2.27 0.00 0.00 -0.57 0.00 0.00 43.02 40.18 2r4x s PHE 127 CO 0.00 -0.45 0.00 0.41 -0.10 0.00 0.00 175.22 175.08 2r4x n GLY 128 N 4.92 -0.29 0.36 4.36 0.00 -1.26 -2.95 105.19 110.33 2r4x n GLY 128 Ca -0.15 -1.73 0.20 0.00 0.00 0.00 0.00 46.02 44.34 2r4x n GLY 128 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2r4x h ASP 129 N 0.00 0.59 -0.61 1.61 5.19 -1.98 -1.03 116.42 120.19 2r4x h ASP 129 Ca 0.00 0.13 0.12 0.00 -0.62 0.00 0.00 57.03 56.66 2r4x h ASP 129 Cb 0.00 0.05 -0.09 0.00 0.18 0.00 0.00 39.33 39.47 2r4x h ASP 129 CO 0.00 0.06 0.12 0.50 -3.12 0.00 0.00 179.24 176.80 2r4x h LYS 130 N 0.49 0.25 0.01 3.56 3.64 -2.00 0.07 116.57 122.59 2r4x h LYS 130 Ca 0.65 -0.01 -0.24 0.00 -1.27 0.00 0.00 60.65 59.78 2r4x h LYS 130 Cb 1.40 -0.06 0.02 0.00 -0.41 0.00 0.00 32.23 33.18 2r4x h LYS 130 CO -0.45 0.16 -0.94 1.88 -2.27 0.00 0.00 179.45 177.83 2r4x h TYR 131 N 0.25 0.92 -0.80 1.91 0.05 -1.54 -2.72 116.97 115.06 2r4x h TYR 131 Ca 0.32 -0.51 0.07 0.00 0.05 0.00 0.00 58.73 58.66 2r4x h TYR 131 Cb 0.48 -0.10 -0.05 0.00 1.01 0.00 0.00 36.73 38.07 2r4x h TYR 131 CO -0.25 1.35 0.52 0.00 -1.05 0.00 0.00 178.16 178.72 2r4x h ALA 132 N 0.36 1.66 -0.13 3.88 0.00 -0.92 -0.18 119.26 123.94 2r4x h ALA 132 Ca -0.12 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.61 2r4x h ALA 132 Cb 1.61 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 2r4x h ALA 132 CO 0.18 0.21 -0.58 -0.91 0.00 0.00 0.00 179.25 178.15 2r4x h ASN 133 N 0.83 0.48 -0.49 0.00 -0.26 -0.99 -0.93 115.58 114.23 2r4x h ASN 133 Ca 0.35 -0.27 -0.03 0.00 -0.56 0.00 0.00 56.30 55.79 2r4x h ASN 133 Cb 0.29 -0.14 -0.02 0.00 -1.06 0.00 0.00 38.32 37.39 2r4x h ASN 133 CO -0.13 0.96 0.18 0.00 -1.06 0.00 0.00 177.43 177.38 2r4x h ALA 134 N 1.05 0.64 -0.13 -0.83 0.00 -0.79 -2.30 119.26 116.89 2r4x h ALA 134 Ca -0.00 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.66 2r4x h ALA 134 Cb 1.11 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.70 2r4x h ALA 134 CO 0.10 0.26 -0.31 -1.49 0.00 0.00 0.00 179.25 177.82 2r4x h TRP 135 N 0.65 0.28 -0.28 0.00 4.06 -0.94 -2.55 115.95 117.17 2r4x h TRP 135 Ca 0.16 -0.06 -0.07 0.00 2.06 0.00 0.00 58.89 60.98 2r4x h TRP 135 Cb 0.22 -0.07 -0.02 0.00 -1.00 0.00 0.00 29.16 28.30 2r4x h TRP 135 CO 0.01 0.54 -0.11 0.00 -3.56 0.00 0.00 178.44 175.31 2r4x h ALA 136 N 1.46 1.28 -0.66 1.49 0.00 -0.75 -1.66 119.26 120.42 2r4x h ALA 136 Ca 0.03 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 2r4x h ALA 136 Cb 0.66 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2r4x h ALA 136 CO 0.05 0.48 0.23 0.87 0.00 0.00 0.00 179.25 180.88 2r4x h LYS 137 N 0.44 1.02 -0.25 0.00 1.79 -1.01 -0.60 116.57 117.96 2r4x h LYS 137 Ca 0.08 -0.21 -0.04 0.00 -2.18 0.00 0.00 60.65 58.31 2r4x h LYS 137 Cb 0.47 -0.15 -0.01 0.00 -1.58 0.00 0.00 32.23 30.96 2r4x h LYS 137 CO 0.03 0.88 0.01 1.25 -1.08 0.00 0.00 179.45 180.53 2r4x h LEU 138 N 0.96 0.43 -1.38 2.94 5.85 -1.29 -2.69 115.31 120.13 2r4x h LEU 138 Ca 0.22 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.67 2r4x h LEU 138 Cb 0.27 -0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2r4x h LEU 138 CO -0.01 0.62 0.44 0.58 -0.34 0.00 0.00 178.44 179.74 2r4x h VAL 139 N 0.22 1.11 -0.17 1.05 2.07 -1.11 -1.55 116.25 117.87 2r4x h VAL 139 Ca 0.07 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2r4x h VAL 139 Cb 0.40 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2r4x h VAL 139 CO 0.01 0.15 0.05 0.00 0.02 0.00 0.00 177.57 177.80 2r4x h ALA 140 N 1.60 1.77 -0.70 1.67 0.00 -0.79 -0.02 119.26 122.80 2r4x h ALA 140 Ca 0.27 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2r4x h ALA 140 Cb 0.04 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2r4x h ALA 140 CO -0.07 0.19 0.35 0.28 0.00 0.00 0.00 179.25 179.99 2r4x h VAL 141 N 0.24 1.23 -0.34 0.00 2.07 -1.05 -0.40 116.25 118.00 2r4x h VAL 141 Ca 0.06 -0.63 -0.17 0.00 0.82 0.00 0.00 66.70 66.79 2r4x h VAL 141 Cb 0.08 0.36 -0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2r4x h VAL 141 CO -0.00 0.26 -0.45 0.58 0.02 0.00 0.00 177.57 177.98 2r4x h VAL 142 N 0.97 1.27 -0.50 2.57 2.07 -1.19 -2.89 116.25 118.56 2r4x h VAL 142 Ca 0.24 -1.62 0.01 0.00 0.82 0.00 0.00 66.70 66.14 2r4x h VAL 142 Cb 0.10 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 2r4x h VAL 142 CO -0.03 0.54 0.33 1.56 0.02 0.00 0.00 177.57 179.98 2r4x h GLN 143 N 0.71 0.65 0.00 1.57 4.20 -0.56 -0.21 115.11 121.47 2r4x h GLN 143 Ca 0.04 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.71 2r4x h GLN 143 Cb 1.04 -0.15 -0.00 0.00 0.30 0.00 0.00 27.48 28.67 2r4x h GLN 143 CO 0.10 0.43 -0.03 0.00 -0.67 0.00 0.00 178.83 178.66 2r4x h ALA 144 N 1.69 1.09 -0.02 3.87 0.00 -0.86 -2.20 119.26 122.83 2r4x h ALA 144 Ca 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2r4x h ALA 144 Cb -0.07 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2r4x h ALA 144 CO -0.04 0.04 -0.27 0.00 0.00 0.00 0.00 179.25 178.98 2r4x n ALA 145 N -2.14 3.10 1.33 0.00 0.00 -0.11 -4.22 120.51 118.48 2r4x n ALA 145 Ca -0.02 -0.57 0.13 0.00 0.00 0.00 0.00 53.44 52.99 2r4x n ALA 145 Cb 0.18 -0.93 0.38 0.00 0.00 0.00 0.00 19.45 19.09 2r4x n ALA 145 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78