#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr s LEU 2 N 0.00 4.50 -0.19 -0.89 1.43 -1.26 -4.98 118.68 117.29 1xnr s LEU 2 Ca 0.00 1.75 -0.09 0.00 -1.03 0.00 0.00 54.13 54.76 1xnr s LEU 2 Cb 0.00 -3.62 -0.21 0.00 0.03 0.00 0.00 46.19 42.39 1xnr s LEU 2 CO 0.00 0.09 0.13 0.35 0.23 0.00 0.00 176.35 177.15 1xnr n THR 3 N 1.15 1.64 -3.72 5.49 -2.24 -1.26 -4.77 114.28 110.57 1xnr n THR 3 Ca -0.02 -0.47 -0.30 0.00 -2.27 0.00 0.00 64.05 60.99 1xnr n THR 3 Cb 0.49 -1.75 -0.13 0.00 -2.10 0.00 0.00 70.33 66.83 1xnr n THR 3 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xnr s ASP 4 N -6.95 3.74 0.24 3.42 3.68 -1.26 -4.95 116.67 114.59 1xnr s ASP 4 Ca -0.28 -2.36 -0.05 0.00 2.13 0.00 0.00 52.55 51.99 1xnr s ASP 4 Cb 0.08 -0.98 0.42 0.00 -1.45 0.00 0.00 42.92 40.99 1xnr s ASP 4 CO 0.67 -0.31 1.72 -0.65 0.13 0.00 0.00 175.17 176.73 1xnr h PRO 5 N 7.09 0.39 -0.35 4.34 0.11 -1.99 -0.35 132.00 141.24 1xnr h PRO 5 Ca -0.04 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1xnr h PRO 5 Cb 0.95 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.96 1xnr h PRO 5 CO 0.47 0.26 -0.20 0.82 -0.21 0.00 0.00 178.00 179.14 1xnr h ILE 6 N 0.40 1.26 -0.27 4.15 1.08 -1.99 0.71 117.51 122.86 1xnr h ILE 6 Ca 0.39 -1.25 -0.06 0.00 -0.39 0.00 0.00 64.86 63.55 1xnr h ILE 6 Cb 0.60 1.21 -0.01 0.00 -3.07 0.00 0.00 36.82 35.55 1xnr h ILE 6 CO -0.41 0.41 -0.05 0.00 -0.69 0.00 0.00 178.15 177.41 1xnr h ALA 7 N 1.20 0.37 -0.49 1.87 0.00 -1.80 0.47 119.26 120.87 1xnr h ALA 7 Ca 0.09 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.83 1xnr h ALA 7 Cb 0.66 -0.10 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1xnr h ALA 7 CO 0.05 0.16 -0.05 0.22 0.00 0.00 0.00 179.25 179.63 1xnr h ASP 8 N 0.26 -0.32 0.01 0.00 3.58 -0.54 0.29 116.42 119.70 1xnr h ASP 8 Ca 0.07 0.13 -0.00 0.00 0.42 0.00 0.00 57.03 57.65 1xnr h ASP 8 Cb 0.52 0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.82 1xnr h ASP 8 CO 0.02 -0.11 -0.00 -0.03 -2.88 0.00 0.00 179.24 176.23 1xnr h MET 9 N 0.06 -0.01 -0.67 0.28 4.05 -0.54 0.12 114.93 118.21 1xnr h MET 9 Ca 0.25 0.00 0.11 0.00 -0.28 0.00 0.00 59.70 59.77 1xnr h MET 9 Cb 0.38 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.10 1xnr h MET 9 CO -0.46 0.14 0.27 -0.07 0.23 0.00 0.00 176.91 177.02 1xnr h LEU 10 N -0.17 0.28 -0.20 3.39 3.38 -0.07 -1.68 115.31 120.24 1xnr h LEU 10 Ca -0.00 0.08 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 1xnr h LEU 10 Cb 0.16 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1xnr h LEU 10 CO 0.00 0.15 -0.02 0.74 0.09 0.00 0.00 178.44 179.40 1xnr h THR 11 N 0.45 1.27 -0.83 0.22 2.02 -0.16 1.00 112.91 116.89 1xnr h THR 11 Ca 0.35 -0.94 0.21 0.00 0.77 0.00 0.00 66.41 66.79 1xnr h THR 11 Cb 0.45 1.50 -0.13 0.00 -1.74 0.00 0.00 68.15 68.22 1xnr h THR 11 CO -0.33 0.28 0.17 0.03 0.37 0.00 0.00 175.52 176.04 1xnr h ARG 12 N 0.10 0.19 0.01 6.66 3.08 -0.16 0.38 114.38 124.64 1xnr h ARG 12 Ca 0.05 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.09 1xnr h ARG 12 Cb 0.44 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.44 1xnr h ARG 12 CO 0.01 0.13 -0.01 0.82 -1.07 0.00 0.00 179.97 179.85 1xnr h ILE 13 N 0.20 1.19 -0.70 2.04 2.04 -0.91 -1.94 117.51 119.42 1xnr h ILE 13 Ca 0.49 -0.59 0.11 0.00 1.00 0.00 0.00 64.86 65.87 1xnr h ILE 13 Cb 0.94 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 38.53 1xnr h ILE 13 CO -0.63 0.15 0.31 -0.09 0.00 0.00 0.00 178.15 177.89 1xnr h ARG 14 N -0.27 0.49 -0.23 2.37 2.43 0.19 -1.20 114.38 118.16 1xnr h ARG 14 Ca -0.00 -0.03 -0.08 0.00 -0.81 0.00 0.00 59.98 59.05 1xnr h ARG 14 Cb 0.26 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 29.70 1xnr h ARG 14 CO 0.00 0.32 -0.18 -0.91 -1.51 0.00 0.00 179.97 177.69 1xnr h ASN 15 N 0.51 0.56 -0.63 -3.80 2.35 -0.32 -3.01 115.58 111.24 1xnr h ASN 15 Ca 0.36 -0.45 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1xnr h ASN 15 Cb 0.46 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.64 1xnr h ASN 15 CO -0.32 0.90 0.28 0.00 -1.65 0.00 0.00 177.43 176.64 1xnr h ALA 16 N 0.68 0.81 0.00 -0.83 0.00 -1.02 -2.10 119.26 116.81 1xnr h ALA 16 Ca 0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1xnr h ALA 16 Cb 0.72 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.26 1xnr h ALA 16 CO 0.05 0.40 -0.00 1.79 0.00 0.00 0.00 179.25 181.48 1xnr h THR 17 N 0.87 0.47 -0.00 0.00 1.35 -1.23 -1.31 112.91 113.07 1xnr h THR 17 Ca 0.21 -0.02 0.00 0.00 -0.55 0.00 0.00 66.41 66.05 1xnr h THR 17 Cb 0.15 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 1xnr h THR 17 CO -0.02 0.00 -0.05 0.54 -0.25 0.00 0.00 175.52 175.74 1xnr n ARG 18 N -3.76 0.13 -0.29 4.72 3.00 -0.79 -2.94 116.66 116.72 1xnr n ARG 18 Ca -0.03 -0.01 0.07 0.00 -0.01 0.00 0.00 57.85 57.86 1xnr n ARG 18 Cb 0.09 -1.50 0.11 0.00 0.00 0.00 0.00 32.46 31.15 1xnr n ARG 18 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.63 178.96 1xnr n VAL 19 N -1.42 1.37 -3.39 1.55 0.24 -0.57 -5.01 118.33 111.09 1xnr n VAL 19 Ca 0.09 -1.74 -0.23 0.00 -2.04 0.00 0.00 64.34 60.42 1xnr n VAL 19 Cb 0.32 -0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.67 1xnr n VAL 19 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1xnr n TYR 20 N -0.96 -1.75 -0.73 6.34 4.01 -0.74 -4.94 117.16 118.40 1xnr n TYR 20 Ca 0.12 0.45 -0.32 0.00 -0.16 0.00 0.00 57.90 57.99 1xnr n TYR 20 Cb 0.68 -2.75 0.15 0.00 -0.31 0.00 0.00 39.34 37.11 1xnr n TYR 20 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1xnr n LYS 21 N -3.67 -0.85 -0.03 -0.72 4.76 -0.87 -4.97 118.16 111.81 1xnr n LYS 21 Ca -0.01 -0.21 -0.01 0.00 -2.87 0.00 0.00 58.31 55.21 1xnr n LYS 21 Cb 0.53 -1.87 -0.00 0.00 -1.84 0.00 0.00 35.03 31.85 1xnr n LYS 21 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1xnr h GLU 22 N -1.82 0.00 0.00 1.97 4.57 -1.92 -3.44 114.58 113.94 1xnr h GLU 22 Ca -0.48 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.70 1xnr h GLU 22 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 1xnr h GLU 22 CO 0.37 0.00 0.00 -1.13 -1.18 0.00 0.00 179.01 177.07 1xnr n SER 23 N -3.66 0.22 0.00 1.04 3.41 -1.26 -2.38 113.62 110.99 1xnr n SER 23 Ca -0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.59 1xnr n SER 23 Cb 0.06 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.01 1xnr n SER 23 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 1xnr n THR 24 N 0.00 0.00 -2.31 6.66 5.66 -1.10 -4.77 114.28 118.43 1xnr n THR 24 Ca 0.00 0.00 -0.31 0.00 -3.05 0.00 0.00 64.05 60.69 1xnr n THR 24 Cb 0.00 0.00 -0.01 0.00 -1.55 0.00 0.00 70.33 68.77 1xnr n THR 24 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1xnr s ASP 25 N 0.00 6.40 -0.28 1.09 1.11 -1.26 -0.98 116.67 122.75 1xnr s ASP 25 Ca 0.00 1.34 -0.18 0.00 0.18 0.00 0.00 52.55 53.89 1xnr s ASP 25 Cb 0.00 -2.42 0.08 0.00 1.07 0.00 0.00 42.92 41.65 1xnr s ASP 25 CO 0.00 -0.66 0.71 0.54 1.18 0.00 0.00 175.17 176.94 1xnr s VAL 26 N -2.81 0.00 0.27 -1.27 0.11 -1.24 -4.91 120.40 110.55 1xnr s VAL 26 Ca 0.54 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.30 1xnr s VAL 26 Cb -0.10 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.61 1xnr s VAL 26 CO 0.42 0.00 1.21 -2.65 -3.33 0.00 0.00 175.10 170.75 1xnr n PRO 27 N 3.98 1.70 -3.05 1.54 -0.02 -1.26 -0.62 135.00 137.25 1xnr n PRO 27 Ca -0.19 0.60 -0.37 0.00 -2.02 0.00 0.00 63.50 61.52 1xnr n PRO 27 Cb 0.58 -2.12 -0.06 0.00 -0.02 0.00 0.00 33.50 31.88 1xnr n PRO 27 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xnr s ALA 28 N -0.67 3.41 -0.19 3.55 0.00 -0.54 -4.78 121.76 122.54 1xnr s ALA 28 Ca 0.62 0.23 -0.17 0.00 0.00 0.00 0.00 51.96 52.65 1xnr s ALA 28 Cb -0.68 -2.87 0.05 0.00 0.00 0.00 0.00 23.12 19.62 1xnr s ALA 28 CO 0.57 0.31 0.51 -1.54 0.00 0.00 0.00 175.76 175.60 1xnr s SER 29 N -1.51 -0.54 0.17 0.00 1.04 -1.26 -4.97 113.70 106.63 1xnr s SER 29 Ca 0.41 1.03 -0.25 0.00 0.48 0.00 0.00 55.95 57.62 1xnr s SER 29 Cb -0.18 1.03 0.05 0.00 0.10 0.00 0.00 66.02 67.02 1xnr s SER 29 CO 0.22 -0.18 1.56 0.03 0.98 0.00 0.00 173.24 175.86 1xnr h ARG 30 N 5.50 -0.17 -0.68 4.02 3.08 -1.99 -0.51 114.38 123.63 1xnr h ARG 30 Ca -0.28 0.01 0.13 0.00 0.07 0.00 0.00 59.98 59.91 1xnr h ARG 30 Cb 1.18 0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.17 1xnr h ARG 30 CO 0.19 -0.11 0.21 0.35 -1.07 0.00 0.00 179.97 179.53 1xnr h PHE 31 N -0.18 0.34 -0.25 3.04 3.57 -1.98 0.26 116.94 121.74 1xnr h PHE 31 Ca 0.20 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.73 1xnr h PHE 31 Cb 0.55 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 39.23 1xnr h PHE 31 CO -0.76 0.01 0.15 0.87 -2.23 0.00 0.00 178.31 176.34 1xnr h LYS 32 N 0.34 0.35 -0.47 1.11 1.57 -1.55 -1.78 116.57 116.14 1xnr h LYS 32 Ca 0.37 -0.04 0.08 0.00 -1.87 0.00 0.00 60.65 59.19 1xnr h LYS 32 Cb 0.56 -0.07 -0.07 0.00 0.08 0.00 0.00 32.23 32.73 1xnr h LYS 32 CO -0.41 0.29 0.09 1.49 -0.57 0.00 0.00 179.45 180.34 1xnr h GLU 33 N 0.31 0.22 -0.55 3.15 4.81 0.38 0.05 114.58 122.94 1xnr h GLU 33 Ca 0.09 -0.01 0.11 0.00 -0.13 0.00 0.00 59.36 59.42 1xnr h GLU 33 Cb 0.04 -0.05 -0.09 0.00 0.63 0.00 0.00 28.75 29.28 1xnr h GLU 33 CO -0.02 0.15 0.03 0.93 -0.73 0.00 0.00 179.01 179.37 1xnr h GLU 34 N 0.23 0.14 -0.03 1.92 4.39 0.02 -0.85 114.58 120.41 1xnr h GLU 34 Ca 0.23 -0.01 -0.00 0.00 0.34 0.00 0.00 59.36 59.92 1xnr h GLU 34 Cb 0.31 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 1xnr h GLU 34 CO -0.31 0.09 0.00 0.82 -1.16 0.00 0.00 179.01 178.46 1xnr h ILE 35 N 0.15 1.24 -0.78 3.13 2.04 -0.42 -2.84 117.51 120.03 1xnr h ILE 35 Ca 0.29 -0.73 0.18 0.00 1.00 0.00 0.00 64.86 65.60 1xnr h ILE 35 Cb 0.44 1.68 -0.14 0.00 -0.74 0.00 0.00 36.82 38.06 1xnr h ILE 35 CO -0.44 0.19 0.02 -0.07 0.00 0.00 0.00 178.15 177.85 1xnr h LEU 36 N -0.24 -0.34 -0.97 1.44 3.38 -0.44 0.25 115.31 118.38 1xnr h LEU 36 Ca 0.01 0.20 0.29 0.00 0.09 0.00 0.00 57.88 58.47 1xnr h LEU 36 Cb 0.31 0.35 -0.14 0.00 0.09 0.00 0.00 40.66 41.27 1xnr h LEU 36 CO 0.00 -0.19 0.49 -0.09 0.09 0.00 0.00 178.44 178.74 1xnr h ARG 37 N 0.10 0.31 0.06 1.13 2.43 -0.92 0.13 114.38 117.63 1xnr h ARG 37 Ca 0.43 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.58 1xnr h ARG 37 Cb 0.77 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 1xnr h ARG 37 CO -0.68 0.21 -0.03 0.82 -1.51 0.00 0.00 179.97 178.78 1xnr h ILE 38 N 0.32 1.28 -0.99 1.20 5.03 -0.56 -1.50 117.51 122.30 1xnr h ILE 38 Ca 0.68 -1.42 0.28 0.00 -0.12 0.00 0.00 64.86 64.28 1xnr h ILE 38 Cb 1.48 2.17 -0.14 0.00 -3.03 0.00 0.00 36.82 37.31 1xnr h ILE 38 CO -0.61 0.34 0.55 -0.07 -0.68 0.00 0.00 178.15 177.68 1xnr h LEU 39 N -0.74 0.54 0.48 1.44 -0.00 -0.04 0.36 115.31 117.33 1xnr h LEU 39 Ca -0.01 0.17 -0.02 0.00 -0.00 0.00 0.00 57.88 58.02 1xnr h LEU 39 Cb 0.62 0.11 0.00 0.00 -0.00 0.00 0.00 40.66 41.39 1xnr h LEU 39 CO 0.01 -0.04 -0.23 0.00 -0.00 0.00 0.00 178.44 178.18 1xnr h ALA 40 N 1.80 -0.64 -0.54 1.53 0.00 -0.82 0.22 119.26 120.81 1xnr h ALA 40 Ca 0.68 -0.18 0.11 0.00 0.00 0.00 0.00 54.91 55.52 1xnr h ALA 40 Cb 1.45 0.25 -0.10 0.00 0.00 0.00 0.00 17.79 19.39 1xnr h ALA 40 CO -0.56 -0.65 -0.07 -0.09 0.00 0.00 0.00 179.25 177.88 1xnr h ARG 41 N -1.05 0.05 0.00 0.00 2.43 0.01 0.87 114.38 116.70 1xnr h ARG 41 Ca -0.07 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 1xnr h ARG 41 Cb 0.58 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 1xnr h ARG 41 CO 0.11 0.04 0.00 0.39 -1.51 0.00 0.00 179.97 178.99 1xnr n GLU 42 N -5.31 0.56 -2.67 0.20 -0.58 0.11 -4.89 120.64 108.06 1xnr n GLU 42 Ca 0.06 0.03 -0.07 0.00 -0.42 0.00 0.00 57.16 56.76 1xnr n GLU 42 Cb 0.29 -1.50 0.03 0.00 -0.57 0.00 0.00 31.44 29.70 1xnr n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xnr n GLY 43 N 0.40 -0.67 0.01 0.62 0.00 0.30 -4.95 105.19 100.89 1xnr n GLY 43 Ca 0.14 0.30 0.02 0.00 0.00 0.00 0.00 46.02 46.48 1xnr n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1xnr n PHE 44 N -2.30 0.00 -4.13 1.61 3.72 0.74 -5.01 117.46 112.09 1xnr n PHE 44 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.26 1xnr n PHE 44 Cb 0.55 -0.13 -0.10 0.00 -0.94 0.00 0.00 39.48 38.86 1xnr n PHE 44 CO 0.00 0.00 0.00 0.96 -0.05 0.00 0.00 176.76 177.67 1xnr s ILE 45 N -2.31 0.57 0.09 4.37 -4.36 -1.20 -4.21 121.20 114.15 1xnr s ILE 45 Ca -0.02 -1.72 -0.19 0.00 -0.26 0.00 0.00 60.65 58.47 1xnr s ILE 45 Cb 0.03 -1.41 -0.08 0.00 1.25 0.00 0.00 42.46 42.25 1xnr s ILE 45 CO 0.21 -0.79 1.54 0.11 0.24 0.00 0.00 174.94 176.24 1xnr h LYS 46 N 3.34 0.43 0.00 0.37 1.57 -0.38 -3.42 116.57 118.49 1xnr h LYS 46 Ca -0.35 -0.13 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 1xnr h LYS 46 Cb 1.17 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.44 1xnr h LYS 46 CO 0.60 0.59 0.00 0.41 -0.57 0.00 0.00 179.45 180.47 1xnr n GLY 47 N -0.38 -0.51 2.97 3.86 0.00 -1.19 -4.95 105.19 105.00 1xnr n GLY 47 Ca -0.03 -0.96 -0.05 0.00 0.00 0.00 0.00 46.02 44.98 1xnr n GLY 47 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 173.32 174.90 1xnr n TYR 48 N 7.50 -1.73 -3.52 1.61 0.18 -1.26 -0.56 117.16 119.38 1xnr n TYR 48 Ca 0.00 -1.28 -0.09 0.00 1.88 0.00 0.00 57.90 58.41 1xnr n TYR 48 Cb 0.00 0.63 -0.02 0.00 -0.38 0.00 0.00 39.34 39.57 1xnr n TYR 48 CO 0.00 0.00 0.00 -1.83 -2.08 0.00 0.00 176.86 172.95 1xnr s GLU 49 N -2.06 1.07 -1.05 -3.48 -1.05 -1.15 -4.98 118.70 105.99 1xnr s GLU 49 Ca 0.15 -0.43 -0.18 0.00 -0.15 0.00 0.00 54.97 54.36 1xnr s GLU 49 Cb -0.03 0.46 0.13 0.00 -0.44 0.00 0.00 34.13 34.25 1xnr s GLU 49 CO 0.07 -0.47 1.30 1.03 0.95 0.00 0.00 175.26 178.14 1xnr s ARG 50 N -3.39 3.77 0.51 -4.83 3.00 -1.26 -1.80 118.95 114.95 1xnr s ARG 50 Ca 0.05 -1.95 -0.06 0.00 0.00 0.00 0.00 55.73 53.77 1xnr s ARG 50 Cb -0.01 -5.05 -0.03 0.00 0.00 0.00 0.00 34.95 29.85 1xnr s ARG 50 CO -0.08 -1.85 0.83 0.08 0.00 0.00 0.00 175.30 174.27 1xnr s VAL 51 N 2.72 4.66 -0.28 3.52 1.01 -1.22 -4.92 120.40 125.90 1xnr s VAL 51 Ca 0.39 0.22 0.03 0.00 0.00 0.00 0.00 61.98 62.61 1xnr s VAL 51 Cb -0.03 -3.79 0.07 0.00 0.00 0.00 0.00 36.38 32.63 1xnr s VAL 51 CO -0.05 -0.80 -0.08 -1.81 0.00 0.00 0.00 175.10 172.35 1xnr s ASP 52 N -4.15 4.52 -0.17 3.32 1.11 -1.26 -1.89 116.67 118.15 1xnr s ASP 52 Ca 0.49 -1.53 -0.13 0.00 0.18 0.00 0.00 52.55 51.57 1xnr s ASP 52 Cb -0.10 -1.57 -0.05 0.00 1.07 0.00 0.00 42.92 42.27 1xnr s ASP 52 CO 0.46 -0.23 0.25 -0.69 1.18 0.00 0.00 175.17 176.14 1xnr s VAL 53 N 1.07 5.33 -1.38 -1.27 1.01 -0.80 -4.41 120.40 119.96 1xnr s VAL 53 Ca -0.05 0.46 -0.17 0.00 0.00 0.00 0.00 61.98 62.22 1xnr s VAL 53 Cb -0.20 -3.59 0.16 0.00 0.00 0.00 0.00 36.38 32.76 1xnr s VAL 53 CO -0.05 0.41 0.47 -0.67 0.00 0.00 0.00 175.10 175.26 1xnr n ASP 54 N 3.48 -1.98 0.00 3.32 2.03 -1.26 -0.05 116.55 122.09 1xnr n ASP 54 Ca -0.13 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.44 1xnr n ASP 54 Cb 0.52 -1.73 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 1xnr n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1xnr n GLY 55 N -0.97 3.02 3.85 0.27 0.00 -1.26 -4.99 105.19 105.11 1xnr n GLY 55 Ca 0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.73 1xnr n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr s LYS 56 N -0.11 3.79 -0.08 1.61 -0.14 0.93 -5.05 119.74 120.70 1xnr s LYS 56 Ca 0.00 0.24 -0.30 0.00 -1.36 0.00 0.00 55.97 54.55 1xnr s LYS 56 Cb 0.00 -3.14 -0.04 0.00 -1.68 0.00 0.00 37.83 32.96 1xnr s LYS 56 CO 0.00 0.66 1.51 -1.25 -0.76 0.00 0.00 175.35 175.52 1xnr s PRO 57 N -1.35 4.21 0.02 -1.68 0.04 -1.26 -1.90 135.00 133.08 1xnr s PRO 57 Ca 0.25 2.02 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1xnr s PRO 57 Cb -0.15 -3.87 -0.00 0.00 0.04 0.00 0.00 34.50 30.52 1xnr s PRO 57 CO 0.14 -0.78 0.00 0.66 0.04 0.00 0.00 177.00 177.06 1xnr n TYR 58 N 6.77 0.04 -3.42 0.56 4.02 -0.79 -1.46 117.16 122.88 1xnr n TYR 58 Ca 0.16 -0.11 -0.21 0.00 -0.01 0.00 0.00 57.90 57.73 1xnr n TYR 58 Cb 0.43 -0.01 -0.10 0.00 -0.02 0.00 0.00 39.34 39.64 1xnr n TYR 58 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1xnr s LEU 59 N 0.00 0.11 0.68 7.72 1.43 0.21 -3.36 118.68 125.46 1xnr s LEU 59 Ca 0.00 -1.30 -0.17 0.00 -1.03 0.00 0.00 54.13 51.64 1xnr s LEU 59 Cb 0.00 0.26 -0.03 0.00 0.03 0.00 0.00 46.19 46.45 1xnr s LEU 59 CO 0.00 -0.35 0.84 0.54 0.23 0.00 0.00 176.35 177.61 1xnr n ARG 60 N 4.80 0.56 -3.69 1.70 5.12 -0.74 -3.62 116.66 120.79 1xnr n ARG 60 Ca 0.03 0.24 -0.25 0.00 -1.93 0.00 0.00 57.85 55.94 1xnr n ARG 60 Cb 0.44 -2.08 -0.17 0.00 -1.16 0.00 0.00 32.46 29.49 1xnr n ARG 60 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1xnr s VAL 61 N -1.75 0.20 -0.53 1.55 1.01 -0.15 -2.95 120.40 117.78 1xnr s VAL 61 Ca 0.72 -0.19 -0.26 0.00 0.00 0.00 0.00 61.98 62.26 1xnr s VAL 61 Cb -0.37 -0.68 0.03 0.00 0.00 0.00 0.00 36.38 35.36 1xnr s VAL 61 CO 0.51 -0.11 1.01 -0.31 0.00 0.00 0.00 175.10 176.20 1xnr s TYR 62 N 2.02 2.78 0.74 5.22 2.02 0.28 -2.70 117.35 127.71 1xnr s TYR 62 Ca 0.02 0.24 -0.11 0.00 -0.37 0.00 0.00 57.07 56.84 1xnr s TYR 62 Cb -0.15 -4.18 0.04 0.00 -0.40 0.00 0.00 41.96 37.26 1xnr s TYR 62 CO -0.07 -1.34 1.10 -0.51 -1.57 0.00 0.00 175.55 173.15 1xnr s LEU 63 N 4.18 2.78 0.13 -1.29 2.01 -1.00 0.29 118.68 125.77 1xnr s LEU 63 Ca 0.36 1.19 0.07 0.00 0.01 0.00 0.00 54.13 55.76 1xnr s LEU 63 Cb -0.10 -3.91 -0.04 0.00 0.01 0.00 0.00 46.19 42.15 1xnr s LEU 63 CO 0.23 -1.59 -0.16 -0.54 1.01 0.00 0.00 176.35 175.30 1xnr s LYS 64 N -5.29 1.09 0.08 1.70 1.02 -1.26 -4.43 119.74 112.65 1xnr s LYS 64 Ca 0.59 -1.25 -0.05 0.00 0.02 0.00 0.00 55.97 55.28 1xnr s LYS 64 Cb -0.12 -1.08 -0.02 0.00 -0.52 0.00 0.00 37.83 36.09 1xnr s LYS 64 CO 0.53 0.22 0.09 0.71 -0.92 0.00 0.00 175.35 175.98 1xnr s TYR 65 N -1.91 0.37 0.00 3.18 1.51 -1.26 -4.02 117.35 115.21 1xnr s TYR 65 Ca 0.09 -0.85 0.00 0.00 -1.01 0.00 0.00 57.07 55.31 1xnr s TYR 65 Cb -0.06 -0.23 0.00 0.00 -0.11 0.00 0.00 41.96 41.56 1xnr s TYR 65 CO 0.04 -0.48 0.00 0.41 -1.11 0.00 0.00 175.55 174.41 1xnr n GLY 66 N 0.00 -2.49 3.92 0.71 0.00 0.12 -4.86 105.19 102.60 1xnr n GLY 66 Ca -0.14 -1.41 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 1xnr n GLY 66 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xnr s PRO 67 N -2.25 3.45 -0.29 1.61 0.04 -1.26 -4.62 135.00 131.68 1xnr s PRO 67 Ca 0.00 -0.44 -0.43 0.00 0.04 0.00 0.00 61.00 60.17 1xnr s PRO 67 Cb 0.00 -3.01 -0.19 0.00 0.04 0.00 0.00 34.50 31.34 1xnr s PRO 67 CO 0.00 0.58 1.46 -2.13 0.04 0.00 0.00 177.00 176.95 1xnr n ARG 68 N 0.12 0.27 -2.74 4.56 0.63 -1.26 -4.45 116.66 113.79 1xnr n ARG 68 Ca -0.05 0.10 -0.22 0.00 -0.92 0.00 0.00 57.85 56.76 1xnr n ARG 68 Cb 0.52 -1.64 0.09 0.00 0.45 0.00 0.00 32.46 31.88 1xnr n ARG 68 CO 0.00 0.00 0.00 1.03 -2.51 0.00 0.00 177.63 176.15 1xnr s ARG 69 N 2.10 1.88 0.39 -0.14 0.52 -0.59 -4.98 118.95 118.13 1xnr s ARG 69 Ca 0.99 -1.30 0.08 0.00 -0.52 0.00 0.00 55.73 54.97 1xnr s ARG 69 Cb -1.33 -2.44 -0.00 0.00 0.52 0.00 0.00 34.95 31.70 1xnr s ARG 69 CO 0.70 -1.25 0.49 -0.65 0.02 0.00 0.00 175.30 174.61 1xnr s GLN 70 N -4.98 2.83 2.35 3.54 -0.21 -1.26 -4.44 119.66 117.48 1xnr s GLN 70 Ca 0.65 -1.25 0.00 0.00 0.02 0.00 0.00 55.36 54.78 1xnr s GLN 70 Cb -0.05 -2.68 0.00 0.00 1.00 0.00 0.00 33.01 31.28 1xnr s GLN 70 CO 0.42 -0.15 0.00 0.41 -2.12 0.00 0.00 175.29 173.85 1xnr n GLY 71 N -1.71 -0.81 3.77 3.09 0.00 -1.26 -4.75 105.19 103.52 1xnr n GLY 71 Ca 0.05 -1.17 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 1xnr n GLY 71 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1xnr s PRO 72 N 0.00 3.79 -0.39 1.61 0.04 -1.26 -4.12 135.00 134.67 1xnr s PRO 72 Ca 0.00 2.01 -0.12 0.00 0.04 0.00 0.00 61.00 62.93 1xnr s PRO 72 Cb 0.00 -2.56 0.01 0.00 0.04 0.00 0.00 34.50 31.99 1xnr s PRO 72 CO 0.00 -0.60 0.41 -3.47 0.04 0.00 0.00 177.00 173.38 1xnr n ASP 73 N -0.24 -7.91 -0.08 6.66 4.64 -1.26 -4.87 116.55 113.48 1xnr n ASP 73 Ca 0.06 0.80 0.15 0.00 -1.38 0.00 0.00 54.79 54.42 1xnr n ASP 73 Cb 0.46 -5.24 0.84 0.00 -1.04 0.00 0.00 41.12 36.14 1xnr n ASP 73 CO 0.00 0.00 0.00 -0.81 -0.82 0.00 0.00 177.20 175.57 1xnr n PRO 74 N 0.04 1.02 -1.63 -0.67 -0.04 -1.26 -4.80 135.00 127.65 1xnr n PRO 74 Ca 0.08 -0.17 -0.50 0.00 -0.04 0.00 0.00 63.50 62.87 1xnr n PRO 74 Cb 0.33 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.24 1xnr n PRO 74 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1xnr n ARG 75 N -0.85 1.61 -1.42 0.54 1.74 -1.26 -1.54 116.66 115.48 1xnr n ARG 75 Ca 0.21 0.58 -0.37 0.00 -0.77 0.00 0.00 57.85 57.51 1xnr n ARG 75 Cb 0.17 -2.29 0.06 0.00 -1.02 0.00 0.00 32.46 29.39 1xnr n ARG 75 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 1xnr n PRO 76 N 3.22 0.54 -1.77 5.56 -0.02 -1.26 -4.55 135.00 136.72 1xnr n PRO 76 Ca 0.18 0.23 -0.32 0.00 -2.02 0.00 0.00 63.50 61.57 1xnr n PRO 76 Cb 0.23 -1.98 0.03 0.00 -0.02 0.00 0.00 33.50 31.77 1xnr n PRO 76 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1xnr s GLU 77 N -2.75 3.13 0.04 -0.52 2.12 -1.26 -4.76 118.70 114.70 1xnr s GLU 77 Ca 0.71 1.03 -0.13 0.00 0.36 0.00 0.00 54.97 56.93 1xnr s GLU 77 Cb -0.39 -2.01 -0.06 0.00 0.26 0.00 0.00 34.13 31.93 1xnr s GLU 77 CO 0.52 -0.95 0.43 -0.65 -0.54 0.00 0.00 175.26 174.08 1xnr s GLN 78 N -4.69 3.89 0.16 4.30 -1.52 -1.26 0.13 119.66 120.68 1xnr s GLN 78 Ca 0.60 0.37 -0.07 0.00 -1.95 0.00 0.00 55.36 54.30 1xnr s GLN 78 Cb -0.14 -3.12 0.02 0.00 -0.22 0.00 0.00 33.01 29.55 1xnr s GLN 78 CO 0.48 0.63 1.47 0.28 -0.25 0.00 0.00 175.29 177.89 1xnr h VAL 79 N 3.34 1.29 -3.61 1.09 2.07 -1.89 -3.35 116.25 115.19 1xnr h VAL 79 Ca -0.50 -1.73 -0.79 0.00 0.82 0.00 0.00 66.70 64.50 1xnr h VAL 79 Cb 1.21 1.65 -0.28 0.00 -1.52 0.00 0.00 31.29 32.35 1xnr h VAL 79 CO 0.63 0.55 0.34 -0.63 0.02 0.00 0.00 177.57 178.48 1xnr s ILE 80 N -4.12 5.81 -1.67 4.57 1.01 -1.26 -4.88 121.20 120.66 1xnr s ILE 80 Ca -0.09 -3.25 0.25 0.00 0.00 0.00 0.00 60.65 57.56 1xnr s ILE 80 Cb 0.11 -4.51 0.55 0.00 0.01 0.00 0.00 42.46 38.62 1xnr s ILE 80 CO 0.87 -1.14 1.83 1.41 0.00 0.00 0.00 174.94 177.91 1xnr n HIS 81 N 2.95 0.00 -3.64 3.97 8.25 -1.24 -4.80 115.22 120.71 1xnr n HIS 81 Ca 0.21 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.60 1xnr n HIS 81 Cb 0.41 -0.16 -0.07 0.00 1.12 0.00 0.00 29.99 31.28 1xnr n HIS 81 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 1xnr s HIS 82 N -2.33 -0.47 -0.36 4.41 5.65 -1.23 -5.04 115.29 115.92 1xnr s HIS 82 Ca 0.29 1.08 0.07 0.00 0.25 0.00 0.00 55.06 56.75 1xnr s HIS 82 Cb 0.17 0.37 0.19 0.00 -1.18 0.00 0.00 32.58 32.12 1xnr s HIS 82 CO 0.34 -0.23 0.62 -1.50 -0.65 0.00 0.00 174.74 173.32 1xnr s ILE 83 N 0.50 -0.99 -0.14 0.89 2.07 -1.26 -2.70 121.20 119.57 1xnr s ILE 83 Ca 0.00 0.00 -0.02 0.00 -1.41 0.00 0.00 60.65 59.22 1xnr s ILE 83 Cb -0.05 -0.37 -0.02 0.00 0.13 0.00 0.00 42.46 42.15 1xnr s ILE 83 CO -0.09 0.00 -0.08 -0.60 -1.91 0.00 0.00 174.94 172.26 1xnr s ARG 84 N 2.22 3.53 0.12 3.50 3.52 -1.14 -4.91 118.95 125.79 1xnr s ARG 84 Ca 0.14 -0.59 -0.31 0.00 -0.13 0.00 0.00 55.73 54.84 1xnr s ARG 84 Cb -0.06 -2.78 -0.08 0.00 -1.56 0.00 0.00 34.95 30.47 1xnr s ARG 84 CO -0.14 0.24 1.36 0.50 -0.81 0.00 0.00 175.30 176.45 1xnr s ARG 85 N 0.33 4.34 0.00 5.12 3.00 -1.26 -2.31 118.95 128.17 1xnr s ARG 85 Ca -0.07 2.04 0.00 0.00 -1.00 0.00 0.00 55.73 56.71 1xnr s ARG 85 Cb -0.15 -3.25 0.00 0.00 0.00 0.00 0.00 34.95 31.55 1xnr s ARG 85 CO 0.04 -0.40 0.00 -0.89 0.00 0.00 0.00 175.30 174.05 1xnr n ILE 86 N 3.78 0.00 -1.65 4.11 5.41 -1.11 -4.93 119.36 124.97 1xnr n ILE 86 Ca 0.11 0.00 -0.47 0.00 1.00 0.00 0.00 62.75 63.38 1xnr n ILE 86 Cb 0.43 -0.25 -0.05 0.00 -0.71 0.00 0.00 39.64 39.06 1xnr n ILE 86 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1xnr n SER 87 N 0.00 2.68 -4.34 4.38 2.88 -1.25 -4.96 113.62 113.01 1xnr n SER 87 Ca 0.00 1.10 -0.17 0.00 -1.33 0.00 0.00 58.87 58.46 1xnr n SER 87 Cb 0.00 -1.36 -0.10 0.00 -0.75 0.00 0.00 64.21 61.99 1xnr n SER 87 CO 0.00 0.00 0.00 -0.54 -1.23 0.00 0.00 175.04 173.27 1xnr s LYS 88 N 0.72 1.36 0.70 -1.46 1.02 -0.78 -4.87 119.74 116.43 1xnr s LYS 88 Ca 0.80 -1.69 -0.16 0.00 0.02 0.00 0.00 55.97 54.93 1xnr s LYS 88 Cb -0.75 -0.65 0.02 0.00 -0.52 0.00 0.00 37.83 35.93 1xnr s LYS 88 CO 0.41 -0.09 1.22 -1.25 -0.92 0.00 0.00 175.35 174.71 1xnr s PRO 89 N -3.86 2.30 -1.32 -1.68 0.04 -1.26 -1.65 135.00 127.57 1xnr s PRO 89 Ca 0.29 1.81 -0.03 0.00 0.04 0.00 0.00 61.00 63.11 1xnr s PRO 89 Cb 0.06 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.75 1xnr s PRO 89 CO 0.09 -1.73 0.38 0.41 0.04 0.00 0.00 177.00 176.19 1xnr n GLY 90 N 0.48 -0.31 0.00 0.56 0.00 -1.26 -4.72 105.19 99.94 1xnr n GLY 90 Ca 0.14 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1xnr n GLY 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1xnr n ARG 91 N -3.24 0.00 -1.91 1.61 0.00 -0.66 -5.16 116.66 107.31 1xnr n ARG 91 Ca -0.12 0.00 -0.34 0.00 -0.00 0.00 0.00 57.85 57.39 1xnr n ARG 91 Cb 0.61 0.00 0.04 0.00 0.00 0.00 0.00 32.46 33.11 1xnr n ARG 91 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.63 178.66 1xnr s ARG 92 N 0.00 2.89 -0.15 -0.14 1.81 -0.88 -1.86 118.95 120.62 1xnr s ARG 92 Ca 0.00 1.62 -0.04 0.00 -1.72 0.00 0.00 55.73 55.59 1xnr s ARG 92 Cb 0.00 -1.94 0.05 0.00 -0.45 0.00 0.00 34.95 32.61 1xnr s ARG 92 CO 0.00 -1.22 0.07 0.08 -0.68 0.00 0.00 175.30 173.54 1xnr s VAL 93 N -1.95 0.09 -0.01 3.52 1.01 -1.26 -4.87 120.40 116.94 1xnr s VAL 93 Ca 0.72 -0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.59 1xnr s VAL 93 Cb -0.25 -0.62 -0.03 0.00 0.00 0.00 0.00 36.38 35.48 1xnr s VAL 93 CO 0.36 -0.16 -0.12 -0.31 0.00 0.00 0.00 175.10 174.88 1xnr s TYR 94 N 2.06 2.76 0.07 5.22 1.51 -1.26 0.74 117.35 128.46 1xnr s TYR 94 Ca 0.02 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.00 1xnr s TYR 94 Cb -0.15 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.07 1xnr s TYR 94 CO -0.08 0.28 -0.12 0.14 -1.11 0.00 0.00 175.55 174.67 1xnr s VAL 95 N -0.88 0.94 0.53 0.71 -7.23 -0.31 -4.89 120.40 109.27 1xnr s VAL 95 Ca 0.14 -1.38 -0.12 0.00 -1.81 0.00 0.00 61.98 58.81 1xnr s VAL 95 Cb -0.11 -1.08 -0.06 0.00 0.56 0.00 0.00 36.38 35.70 1xnr s VAL 95 CO 0.04 -0.37 0.94 -0.83 -0.31 0.00 0.00 175.10 174.57 1xnr s GLY 96 N -1.95 1.84 0.52 2.32 0.00 -1.26 -1.47 107.32 107.31 1xnr s GLY 96 Ca -0.01 -0.06 0.31 0.00 0.00 0.00 0.00 44.72 44.96 1xnr s GLY 96 CO 0.01 0.19 1.86 -0.24 0.00 0.00 0.00 173.10 174.92 1xnr h VAL 97 N 0.43 0.53 -0.00 1.40 3.04 -1.91 2.39 116.25 122.13 1xnr h VAL 97 Ca -0.46 -0.02 0.00 0.00 -1.01 0.00 0.00 66.70 65.21 1xnr h VAL 97 Cb 1.19 0.47 0.00 0.00 -2.01 0.00 0.00 31.29 30.94 1xnr h VAL 97 CO 0.62 0.01 -0.03 2.29 -1.01 0.00 0.00 177.57 179.45 1xnr n LYS 98 N -4.29 0.35 -0.01 4.17 2.85 -1.26 -3.65 118.16 116.32 1xnr n LYS 98 Ca 0.20 -0.03 0.07 0.00 -1.05 0.00 0.00 58.31 57.51 1xnr n LYS 98 Cb 0.99 -1.50 -0.11 0.00 -0.65 0.00 0.00 35.03 33.76 1xnr n LYS 98 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1xnr n GLU 99 N -1.30 0.83 -1.59 -1.58 1.02 0.80 -5.01 120.64 113.80 1xnr n GLU 99 Ca 0.12 -0.11 -0.49 0.00 -0.02 0.00 0.00 57.16 56.66 1xnr n GLU 99 Cb 0.27 -1.32 -0.04 0.00 -0.02 0.00 0.00 31.44 30.33 1xnr n GLU 99 CO 0.00 0.00 0.00 -0.89 1.18 0.00 0.00 177.13 177.42 1xnr n ILE 100 N -1.88 0.65 -1.78 -3.67 5.41 -0.63 -4.82 119.36 112.65 1xnr n ILE 100 Ca -0.02 -0.16 -0.31 0.00 1.00 0.00 0.00 62.75 63.27 1xnr n ILE 100 Cb 0.36 -0.89 0.03 0.00 -0.71 0.00 0.00 39.64 38.43 1xnr n ILE 100 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 1xnr s PRO 101 N -0.13 3.14 -0.90 0.38 0.04 -1.26 -5.03 135.00 131.23 1xnr s PRO 101 Ca 0.76 0.71 -0.02 0.00 0.04 0.00 0.00 61.00 62.49 1xnr s PRO 101 Cb -0.86 -2.03 0.22 0.00 0.04 0.00 0.00 34.50 31.87 1xnr s PRO 101 CO 0.50 -0.89 0.79 -0.98 0.04 0.00 0.00 177.00 176.46 1xnr s ARG 102 N -5.19 3.31 -0.32 4.56 1.70 -1.26 -4.98 118.95 116.77 1xnr s ARG 102 Ca 0.57 -3.29 -0.38 0.00 -0.47 0.00 0.00 55.73 52.17 1xnr s ARG 102 Cb -0.12 -3.98 -0.14 0.00 -0.57 0.00 0.00 34.95 30.15 1xnr s ARG 102 CO 0.54 -1.26 2.01 0.28 -1.08 0.00 0.00 175.30 175.79 1xnr n VAL 103 N 2.33 0.24 -3.56 4.99 0.31 -1.26 -3.47 118.33 117.91 1xnr n VAL 103 Ca 0.22 -0.15 -0.29 0.00 -0.01 0.00 0.00 64.34 64.10 1xnr n VAL 103 Cb 0.37 -1.40 0.02 0.00 -0.91 0.00 0.00 33.84 31.92 1xnr n VAL 103 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xnr n ARG 104 N 7.07 -1.78 -1.63 5.55 1.74 -1.26 -1.36 116.66 124.98 1xnr n ARG 104 Ca 0.36 1.21 -0.05 0.00 -0.77 0.00 0.00 57.85 58.60 1xnr n ARG 104 Cb 0.17 -2.57 -0.01 0.00 -1.02 0.00 0.00 32.46 29.03 1xnr n ARG 104 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 1xnr n ARG 105 N -1.26 -1.29 0.00 5.56 5.12 -1.23 0.11 116.66 123.67 1xnr n ARG 105 Ca -0.16 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 55.77 1xnr n ARG 105 Cb 0.67 -1.32 0.00 0.00 -1.16 0.00 0.00 32.46 30.65 1xnr n ARG 105 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xnr n GLY 106 N -0.37 3.17 0.00 -0.13 0.00 -0.47 -4.92 105.19 102.48 1xnr n GLY 106 Ca 0.01 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.10 1xnr n GLY 106 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnr n LEU 107 N 0.00 0.00 -4.04 0.99 4.77 0.30 -4.68 117.00 114.34 1xnr n LEU 107 Ca 0.00 0.26 -0.16 0.00 -0.03 0.00 0.00 56.01 56.08 1xnr n LEU 107 Cb 0.00 -0.26 -0.13 0.00 -2.33 0.00 0.00 43.42 40.70 1xnr n LEU 107 CO 0.00 -0.14 -0.42 -0.83 -1.33 0.00 0.00 177.39 174.67 1xnr s GLY 108 N -2.52 0.47 0.31 -0.72 0.00 -1.12 -4.92 107.32 98.82 1xnr s GLY 108 Ca 0.13 -0.58 -0.03 0.00 0.00 0.00 0.00 44.72 44.25 1xnr s GLY 108 CO 0.20 -0.58 0.42 0.29 0.00 0.00 0.00 173.10 173.43 1xnr n ILE 109 N 2.11 0.00 -2.84 0.90 -5.35 -1.26 -4.29 119.36 108.63 1xnr n ILE 109 Ca -0.18 -0.47 -0.09 0.00 -0.27 0.00 0.00 62.75 61.74 1xnr n ILE 109 Cb 0.56 -1.50 0.01 0.00 -1.74 0.00 0.00 39.64 36.97 1xnr n ILE 109 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xnr n ALA 110 N -3.13 -1.00 -1.56 -1.28 0.00 -1.26 -2.87 120.51 109.41 1xnr n ALA 110 Ca -0.07 -1.51 -0.49 0.00 0.00 0.00 0.00 53.44 51.38 1xnr n ALA 110 Cb 0.21 -1.33 -0.04 0.00 0.00 0.00 0.00 19.45 18.30 1xnr n ALA 110 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1xnr n ILE 111 N 2.35 1.08 -3.67 0.00 5.41 -1.04 -3.60 119.36 119.88 1xnr n ILE 111 Ca 0.16 -0.27 -0.14 0.00 1.00 0.00 0.00 62.75 63.50 1xnr n ILE 111 Cb 0.58 -0.73 -0.08 0.00 -0.71 0.00 0.00 39.64 38.69 1xnr n ILE 111 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 1xnr s LEU 112 N 0.81 0.09 -0.13 1.39 0.05 -0.69 -2.39 118.68 117.81 1xnr s LEU 112 Ca 0.72 0.70 -0.15 0.00 0.05 0.00 0.00 54.13 55.44 1xnr s LEU 112 Cb -0.87 1.82 -0.05 0.00 -2.05 0.00 0.00 46.19 45.04 1xnr s LEU 112 CO 0.54 -0.36 0.36 -0.55 -0.55 0.00 0.00 176.35 175.79 1xnr s SER 113 N -0.53 6.56 0.36 1.48 0.15 -0.43 -1.21 113.70 120.08 1xnr s SER 113 Ca -0.06 0.66 0.04 0.00 0.70 0.00 0.00 55.95 57.28 1xnr s SER 113 Cb -0.03 -2.22 -0.05 0.00 -1.71 0.00 0.00 66.02 62.01 1xnr s SER 113 CO 0.04 0.11 0.08 0.42 1.20 0.00 0.00 173.24 175.09 1xnr s THR 114 N 0.27 0.98 -0.32 6.45 -4.23 0.64 -1.31 115.64 118.12 1xnr s THR 114 Ca 0.20 -2.00 0.26 0.00 -1.18 0.00 0.00 61.69 58.97 1xnr s THR 114 Cb -0.14 -2.62 0.28 0.00 1.34 0.00 0.00 72.50 71.36 1xnr s THR 114 CO 0.07 0.00 1.78 0.77 -0.54 0.00 0.00 174.62 176.70 1xnr h SER 115 N 1.99 0.00 -0.51 3.99 4.64 -1.99 -0.10 113.55 121.57 1xnr h SER 115 Ca -0.39 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.93 1xnr h SER 115 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1xnr h SER 115 CO 0.65 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.90 1xnr n LYS 116 N -2.45 3.38 0.00 4.77 5.02 -1.26 -5.05 118.16 122.56 1xnr n LYS 116 Ca 0.02 -2.33 0.00 0.00 -2.02 0.00 0.00 58.31 53.97 1xnr n LYS 116 Cb 0.24 -1.84 0.00 0.00 -0.02 0.00 0.00 35.03 33.41 1xnr n LYS 116 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1xnr n GLY 117 N 0.88 -1.61 3.61 0.72 0.00 -0.05 -4.94 105.19 103.80 1xnr n GLY 117 Ca 0.21 -2.11 -0.40 0.00 0.00 0.00 0.00 46.02 43.72 1xnr n GLY 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 118 N -0.11 5.04 0.07 1.61 1.01 -1.26 -0.26 120.40 126.50 1xnr s VAL 118 Ca 0.00 0.82 -0.07 0.00 0.00 0.00 0.00 61.98 62.73 1xnr s VAL 118 Cb 0.00 -3.88 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 1xnr s VAL 118 CO 0.00 0.01 0.14 -1.48 0.00 0.00 0.00 175.10 173.77 1xnr s LEU 119 N 2.38 1.62 1.15 3.92 2.34 -0.35 -4.95 118.68 124.79 1xnr s LEU 119 Ca 0.22 -0.63 -0.15 0.00 0.06 0.00 0.00 54.13 53.62 1xnr s LEU 119 Cb -0.15 0.84 0.27 0.00 -0.56 0.00 0.00 46.19 46.58 1xnr s LEU 119 CO 0.10 -0.65 1.05 0.42 -1.06 0.00 0.00 176.35 176.22 1xnr s THR 120 N -3.44 1.81 0.14 5.48 -4.23 -1.26 -1.71 115.64 112.43 1xnr s THR 120 Ca 0.02 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.41 1xnr s THR 120 Cb 0.03 -2.32 -0.03 0.00 1.34 0.00 0.00 72.50 71.53 1xnr s THR 120 CO -0.09 0.00 1.51 -2.24 -0.54 0.00 0.00 174.62 173.26 1xnr h ASP 121 N -2.48 0.93 0.04 3.99 2.03 -1.94 0.13 116.42 119.12 1xnr h ASP 121 Ca -0.54 -0.42 0.03 0.00 -0.73 0.00 0.00 57.03 55.37 1xnr h ASP 121 Cb 1.33 -0.26 -0.04 0.00 -0.83 0.00 0.00 39.33 39.53 1xnr h ASP 121 CO 0.47 1.15 -0.24 0.03 -1.03 0.00 0.00 179.24 179.62 1xnr h ARG 122 N 0.72 -0.38 0.34 4.15 2.47 -1.93 0.88 114.38 120.63 1xnr h ARG 122 Ca 0.09 0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.82 1xnr h ARG 122 Cb 0.82 0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 29.21 1xnr h ARG 122 CO 0.07 -0.25 -0.29 0.93 0.56 0.00 0.00 179.97 180.98 1xnr h GLU 123 N -0.40 -0.60 -0.98 0.04 5.08 -1.88 0.48 114.58 116.33 1xnr h GLU 123 Ca 0.05 0.04 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 1xnr h GLU 123 Cb 0.46 0.14 -0.13 0.00 0.50 0.00 0.00 28.75 29.71 1xnr h GLU 123 CO -0.19 -0.40 -0.50 0.00 -1.00 0.00 0.00 179.01 176.93 1xnr n ALA 124 N -2.55 -0.42 -0.31 3.43 0.00 0.44 0.85 120.51 121.96 1xnr n ALA 124 Ca -0.07 0.89 0.04 0.00 0.00 0.00 0.00 53.44 54.30 1xnr n ALA 124 Cb 0.28 -0.26 0.19 0.00 0.00 0.00 0.00 19.45 19.66 1xnr n ALA 124 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1xnr h ARG 125 N 0.00 0.80 0.64 0.00 2.43 -0.67 0.56 114.38 118.14 1xnr h ARG 125 Ca 0.23 -0.05 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1xnr h ARG 125 Cb 0.48 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.84 1xnr h ARG 125 CO -0.94 0.53 -0.43 -0.22 -1.51 0.00 0.00 179.97 177.40 1xnr h LYS 126 N 0.83 -0.98 -0.08 0.20 3.64 0.28 0.13 116.57 120.59 1xnr h LYS 126 Ca 0.43 0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 1xnr h LYS 126 Cb 0.43 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1xnr h LYS 126 CO -0.26 -0.65 0.00 1.28 -2.27 0.00 0.00 179.45 177.54 1xnr n LEU 127 N -5.11 0.08 -4.00 5.20 4.77 -0.14 -4.85 117.00 112.95 1xnr n LEU 127 Ca -0.12 -0.04 -0.43 0.00 -0.03 0.00 0.00 56.01 55.38 1xnr n LEU 127 Cb 0.43 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1xnr n LEU 127 CO 0.29 0.02 -0.15 0.61 -1.33 0.00 0.00 177.39 176.82 1xnr n GLY 128 N 0.07 -0.89 3.13 -0.72 0.00 0.46 -4.98 105.19 102.27 1xnr n GLY 128 Ca 0.00 0.37 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 1xnr n GLY 128 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xnr s VAL 129 N -3.49 0.16 0.00 1.61 -7.23 -0.64 -4.92 120.40 105.89 1xnr s VAL 129 Ca 0.47 -1.32 0.00 0.00 -1.81 0.00 0.00 61.98 59.32 1xnr s VAL 129 Cb -0.24 -1.19 0.00 0.00 0.56 0.00 0.00 36.38 35.51 1xnr s VAL 129 CO 0.95 -0.73 0.00 0.61 -0.31 0.00 0.00 175.10 175.62 1xnr n GLY 130 N 0.36 6.70 0.00 2.32 0.00 -1.26 -4.29 105.19 109.02 1xnr n GLY 130 Ca -0.17 -2.08 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1xnr n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xnr n GLY 131 N 5.00 -1.16 3.66 -0.02 0.00 -0.54 -4.52 105.19 107.61 1xnr n GLY 131 Ca 0.00 -1.19 -0.42 0.00 0.00 0.00 0.00 46.02 44.41 1xnr n GLY 131 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xnr s GLU 132 N -1.95 4.17 0.42 1.61 2.12 -0.43 -1.16 118.70 123.49 1xnr s GLU 132 Ca 0.00 2.25 -0.25 0.00 0.36 0.00 0.00 54.97 57.33 1xnr s GLU 132 Cb 0.00 -4.01 -0.08 0.00 0.26 0.00 0.00 34.13 30.30 1xnr s GLU 132 CO 0.00 -0.87 1.19 -1.17 -0.54 0.00 0.00 175.26 173.88 1xnr s LEU 133 N 4.11 4.13 -0.03 2.70 0.20 0.23 -1.31 118.68 128.71 1xnr s LEU 133 Ca 0.76 2.39 0.02 0.00 0.69 0.00 0.00 54.13 57.99 1xnr s LEU 133 Cb -0.35 -4.08 -0.04 0.00 -0.43 0.00 0.00 46.19 41.30 1xnr s LEU 133 CO 0.31 -0.79 0.00 -0.38 -0.29 0.00 0.00 176.35 175.20 1xnr n ILE 134 N -0.11 0.22 0.00 6.68 5.41 -1.03 -3.81 119.36 126.71 1xnr n ILE 134 Ca 0.05 -0.12 0.00 0.00 1.00 0.00 0.00 62.75 63.68 1xnr n ILE 134 Cb 0.46 -0.87 0.00 0.00 -0.71 0.00 0.00 39.64 38.53 1xnr n ILE 134 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1xnr s GLU 136 N -0.04 1.79 -0.38 0.00 2.02 -0.98 -2.50 118.70 118.61 1xnr s GLU 136 Ca 0.00 0.84 0.10 0.00 0.02 0.00 0.00 54.97 55.94 1xnr s GLU 136 Cb 0.00 -1.87 0.39 0.00 0.10 0.00 0.00 34.13 32.76 1xnr s GLU 136 CO 0.00 -1.88 1.41 0.28 0.02 0.00 0.00 175.26 175.09 1xnr n VAL 137 N -3.64 0.00 1.26 2.63 0.31 -1.14 -2.88 118.33 114.88 1xnr n VAL 137 Ca 0.07 -1.35 0.10 0.00 -0.01 0.00 0.00 64.34 63.15 1xnr n VAL 137 Cb 0.55 1.00 0.60 0.00 -0.91 0.00 0.00 33.84 35.08 1xnr n VAL 137 CO 0.00 0.00 0.00 -2.67 -1.32 0.00 0.00 176.83 172.84