#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnr s THR 6 N 0.00 3.63 0.10 3.45 -4.23 -1.26 -4.77 115.64 112.56 1xnr s THR 6 Ca 0.00 0.53 -0.29 0.00 -1.18 0.00 0.00 61.69 60.75 1xnr s THR 6 Cb 0.00 -3.31 -0.12 0.00 1.34 0.00 0.00 72.50 70.41 1xnr s THR 6 CO 0.00 -0.69 1.63 0.40 -0.54 0.00 0.00 174.62 175.42 1xnr h ILE 7 N -0.84 0.40 -0.99 2.99 1.08 -2.04 0.82 117.51 118.92 1xnr h ILE 7 Ca -0.45 0.00 0.28 0.00 -0.39 0.00 0.00 64.86 64.30 1xnr h ILE 7 Cb 1.24 0.40 -0.14 0.00 -3.07 0.00 0.00 36.82 35.25 1xnr h ILE 7 CO 0.59 0.00 0.54 -1.13 -0.69 0.00 0.00 178.15 177.46 1xnr h ASN 8 N -0.60 0.52 -0.06 1.72 -1.24 -1.98 1.02 115.58 114.97 1xnr h ASN 8 Ca -0.01 0.17 -0.01 0.00 0.71 0.00 0.00 56.30 57.17 1xnr h ASN 8 Cb 0.55 0.11 -0.00 0.00 0.73 0.00 0.00 38.32 39.71 1xnr h ASN 8 CO -0.06 -0.05 0.02 1.56 -1.29 0.00 0.00 177.43 177.61 1xnr h GLN 9 N 0.41 0.09 -0.53 6.67 4.20 -1.47 0.77 115.11 125.25 1xnr h GLN 9 Ca 0.68 -0.02 0.08 0.00 0.06 0.00 0.00 58.65 59.45 1xnr h GLN 9 Cb 1.45 -0.01 -0.03 0.00 0.30 0.00 0.00 27.48 29.18 1xnr h GLN 9 CO -0.56 0.28 0.35 -0.07 -0.67 0.00 0.00 178.83 178.16 1xnr h LEU 10 N -0.11 0.35 -0.41 1.46 3.38 0.23 0.59 115.31 120.80 1xnr h LEU 10 Ca 0.02 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.84 1xnr h LEU 10 Cb 0.23 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1xnr h LEU 10 CO -0.00 0.22 -0.37 0.58 0.09 0.00 0.00 178.44 178.97 1xnr h VAL 11 N 0.40 1.27 0.04 1.22 2.07 0.17 0.93 116.25 122.35 1xnr h VAL 11 Ca 0.24 -1.54 -0.14 0.00 0.82 0.00 0.00 66.70 66.08 1xnr h VAL 11 Cb 0.41 1.36 0.01 0.00 -1.52 0.00 0.00 31.29 31.55 1xnr h VAL 11 CO -0.06 0.52 -0.56 0.03 0.02 0.00 0.00 177.57 177.52 1xnr h ARG 12 N 0.77 0.30 0.00 1.57 3.08 0.15 -3.40 114.38 116.85 1xnr h ARG 12 Ca 0.07 -0.38 -0.21 0.00 0.07 0.00 0.00 59.98 59.52 1xnr h ARG 12 Cb 0.96 0.12 -0.03 0.00 0.08 0.00 0.00 29.97 31.10 1xnr h ARG 12 CO 0.09 1.10 -1.23 1.63 -1.07 0.00 0.00 179.97 180.50 1xnr n LYS 13 N -4.27 0.55 0.00 0.04 4.01 0.18 -5.10 118.16 113.57 1xnr n LYS 13 Ca -0.11 0.54 0.00 0.00 -0.51 0.00 0.00 58.31 58.23 1xnr n LYS 13 Cb 0.67 -1.72 0.00 0.00 -0.51 0.00 0.00 35.03 33.48 1xnr n LYS 13 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1xnr n GLY 14 N 1.45 -1.63 3.87 0.72 0.00 0.32 -4.95 105.19 104.98 1xnr n GLY 14 Ca -0.29 -1.55 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 1xnr n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1xnr s ARG 15 N -2.82 3.83 -0.20 1.61 1.81 -1.26 -4.97 118.95 116.95 1xnr s ARG 15 Ca 0.00 0.57 -0.05 0.00 -1.72 0.00 0.00 55.73 54.53 1xnr s ARG 15 Cb 0.00 -2.35 -0.03 0.00 -0.45 0.00 0.00 34.95 32.12 1xnr s ARG 15 CO 0.00 -0.06 0.01 -1.83 -0.68 0.00 0.00 175.30 172.74 1xnr s GLU 16 N -3.80 3.66 0.33 3.54 -1.05 -1.26 -5.08 118.70 115.03 1xnr s GLU 16 Ca 0.53 -0.50 -0.29 0.00 -0.15 0.00 0.00 54.97 54.56 1xnr s GLU 16 Cb -0.10 -3.10 -0.10 0.00 -0.44 0.00 0.00 34.13 30.39 1xnr s GLU 16 CO 0.30 0.04 1.30 0.15 0.95 0.00 0.00 175.26 178.00 1xnr s LYS 17 N 0.93 4.37 -0.03 -4.83 1.02 -1.26 -4.98 119.74 114.96 1xnr s LYS 17 Ca 0.02 2.20 -0.30 0.00 0.02 0.00 0.00 55.97 57.90 1xnr s LYS 17 Cb -0.14 -3.08 -0.04 0.00 -0.52 0.00 0.00 37.83 34.05 1xnr s LYS 17 CO 0.02 -0.17 1.32 0.08 -0.92 0.00 0.00 175.35 175.67 1xnr s VAL 18 N -1.11 3.96 0.08 3.17 1.01 -1.26 -5.01 120.40 121.25 1xnr s VAL 18 Ca 0.49 1.31 -0.21 0.00 0.00 0.00 0.00 61.98 63.57 1xnr s VAL 18 Cb -0.39 -3.84 -0.07 0.00 0.00 0.00 0.00 36.38 32.08 1xnr s VAL 18 CO 0.52 -0.01 0.62 -0.60 0.00 0.00 0.00 175.10 175.63 1xnr s ARG 19 N 2.42 4.30 -0.17 2.72 3.52 -1.26 -5.06 118.95 125.42 1xnr s ARG 19 Ca 0.60 0.83 -0.18 0.00 -0.13 0.00 0.00 55.73 56.86 1xnr s ARG 19 Cb -0.28 -3.26 -0.04 0.00 -1.56 0.00 0.00 34.95 29.81 1xnr s ARG 19 CO 0.24 0.58 0.47 0.15 -0.81 0.00 0.00 175.30 175.92 1xnr s LYS 20 N -0.96 4.24 -0.28 5.12 3.01 -1.26 -5.05 119.74 124.56 1xnr s LYS 20 Ca 0.31 0.37 -0.07 0.00 -1.01 0.00 0.00 55.97 55.57 1xnr s LYS 20 Cb -0.20 -3.50 0.00 0.00 -1.01 0.00 0.00 37.83 33.12 1xnr s LYS 20 CO 0.20 0.00 0.07 0.15 0.51 0.00 0.00 175.35 176.29 1xnr s LYS 21 N 1.15 3.21 0.80 1.68 -0.14 -1.26 -5.09 119.74 120.08 1xnr s LYS 21 Ca 0.23 -0.77 -0.14 0.00 -1.36 0.00 0.00 55.97 53.93 1xnr s LYS 21 Cb -0.15 -3.33 0.06 0.00 -1.68 0.00 0.00 37.83 32.73 1xnr s LYS 21 CO 0.09 -0.38 1.12 0.45 -0.76 0.00 0.00 175.35 175.87 1xnr n SER 22 N 4.87 0.79 -0.26 2.83 2.88 -1.26 -4.93 113.62 118.54 1xnr n SER 22 Ca -0.15 0.59 0.08 0.00 -1.33 0.00 0.00 58.87 58.07 1xnr n SER 22 Cb 0.49 -1.48 0.15 0.00 -0.75 0.00 0.00 64.21 62.62 1xnr n SER 22 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 1xnr n LYS 23 N -2.91 1.26 -2.81 -1.46 5.02 -1.26 -4.84 118.16 111.16 1xnr n LYS 23 Ca 0.13 -2.67 -0.08 0.00 -2.02 0.00 0.00 58.31 53.68 1xnr n LYS 23 Cb 0.50 -1.44 0.02 0.00 -0.02 0.00 0.00 35.03 34.09 1xnr n LYS 23 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1xnr n VAL 24 N -1.23 -0.10 -2.36 -0.18 0.31 -1.26 -4.87 118.33 108.64 1xnr n VAL 24 Ca 0.16 -1.50 -0.40 0.00 -0.01 0.00 0.00 64.34 62.58 1xnr n VAL 24 Cb 0.67 0.95 -0.01 0.00 -0.91 0.00 0.00 33.84 34.53 1xnr n VAL 24 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1xnr n PRO 25 N 2.27 2.84 -1.87 5.55 -0.02 -1.26 -4.58 135.00 137.93 1xnr n PRO 25 Ca 0.15 -3.03 -0.37 0.00 -2.02 0.00 0.00 63.50 58.23 1xnr n PRO 25 Cb 0.59 -3.50 0.02 0.00 -0.02 0.00 0.00 33.50 30.58 1xnr n PRO 25 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1xnr n ALA 26 N 9.12 6.49 0.00 3.55 0.00 -1.26 -5.01 120.51 133.40 1xnr n ALA 26 Ca 0.49 -3.92 0.00 0.00 0.00 0.00 0.00 53.44 50.01 1xnr n ALA 26 Cb 0.45 -2.06 0.00 0.00 0.00 0.00 0.00 19.45 17.84 1xnr n ALA 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1xnr n LEU 27 N -0.17 0.00 0.00 0.00 7.94 -1.26 -3.52 117.00 119.99 1xnr n LEU 27 Ca 0.53 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 55.43 1xnr n LEU 27 Cb 0.30 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.25 1xnr n LEU 27 CO 0.47 0.00 0.00 1.17 -1.11 0.00 0.00 177.39 177.92 1xnr n LYS 28 N 0.00 0.00 -0.34 1.96 4.81 -1.26 -3.20 118.16 120.13 1xnr n LYS 28 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 1xnr n LYS 28 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 1xnr n LYS 28 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1xnr n GLY 29 N 0.00 0.00 3.27 3.14 0.00 -1.24 -4.81 105.19 105.55 1xnr n GLY 29 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 1xnr n GLY 29 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnr n ALA 30 N 0.34 -3.39 0.11 4.61 0.00 -1.19 -4.89 120.51 116.09 1xnr n ALA 30 Ca 0.00 -0.51 -0.04 0.00 0.00 0.00 0.00 53.44 52.89 1xnr n ALA 30 Cb 0.17 -1.56 0.12 0.00 0.00 0.00 0.00 19.45 18.18 1xnr n ALA 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1xnr h PRO 31 N -0.99 0.11 -3.69 0.00 0.11 -1.90 -3.47 132.00 122.17 1xnr h PRO 31 Ca -0.44 -0.09 -0.08 0.00 0.11 0.00 0.00 66.00 65.51 1xnr h PRO 31 Cb 1.32 0.02 -0.13 0.00 0.11 0.00 0.00 31.00 32.31 1xnr h PRO 31 CO 0.33 0.73 -0.27 -0.06 -0.21 0.00 0.00 178.00 178.52 1xnr s PHE 32 N -3.57 0.08 -0.01 0.65 0.08 -1.26 -4.43 117.98 109.52 1xnr s PHE 32 Ca -0.02 -0.47 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1xnr s PHE 32 Cb 0.12 0.04 0.01 0.00 -0.57 0.00 0.00 43.02 42.62 1xnr s PHE 32 CO 0.79 -0.62 0.01 0.50 -0.10 0.00 0.00 175.22 175.80 1xnr s ARG 33 N -3.86 0.00 0.28 0.44 6.06 -0.87 -4.94 118.95 116.06 1xnr s ARG 33 Ca 0.06 0.07 -0.28 0.00 -2.50 0.00 0.00 55.73 53.08 1xnr s ARG 33 Cb 0.04 -0.12 -0.09 0.00 0.06 0.00 0.00 34.95 34.84 1xnr s ARG 33 CO -0.10 -0.06 0.96 0.50 -2.50 0.00 0.00 175.30 174.10 1xnr s ARG 34 N 0.43 4.71 -0.14 5.12 3.52 -1.26 -0.77 118.95 130.56 1xnr s ARG 34 Ca -0.04 1.46 -0.14 0.00 -0.13 0.00 0.00 55.73 56.88 1xnr s ARG 34 Cb -0.05 -3.07 0.04 0.00 -1.56 0.00 0.00 34.95 30.31 1xnr s ARG 34 CO -0.01 0.38 0.40 0.20 -0.81 0.00 0.00 175.30 175.46 1xnr s GLY 35 N -1.33 -0.30 -0.12 8.12 0.00 0.44 -0.92 107.32 113.22 1xnr s GLY 35 Ca 0.45 1.07 -0.24 0.00 0.00 0.00 0.00 44.72 46.00 1xnr s GLY 35 CO 0.30 0.90 0.77 0.14 0.00 0.00 0.00 173.10 175.21 1xnr s VAL 36 N 0.05 4.96 0.33 1.40 1.01 -0.14 -0.10 120.40 127.91 1xnr s VAL 36 Ca -0.01 1.54 -0.28 0.00 0.00 0.00 0.00 61.98 63.23 1xnr s VAL 36 Cb -0.03 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.16 1xnr s VAL 36 CO 0.01 0.13 1.21 0.00 0.00 0.00 0.00 175.10 176.46 1xnr n THR 38 N 0.76 0.00 -2.90 0.00 -1.04 -0.76 -3.54 114.28 106.80 1xnr n THR 38 Ca 0.01 0.00 -0.30 0.00 -2.04 0.00 0.00 64.05 61.72 1xnr n THR 38 Cb 0.44 -0.21 -0.03 0.00 -1.82 0.00 0.00 70.33 68.71 1xnr n THR 38 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1xnr s VAL 39 N 0.00 4.83 -0.37 12.58 1.01 -1.23 -4.14 120.40 133.08 1xnr s VAL 39 Ca 0.00 0.50 0.13 0.00 0.00 0.00 0.00 61.98 62.62 1xnr s VAL 39 Cb 0.00 -3.74 0.41 0.00 0.00 0.00 0.00 36.38 33.04 1xnr s VAL 39 CO 0.00 -0.52 0.88 0.52 0.00 0.00 0.00 175.10 175.98 1xnr n VAL 40 N -1.34 0.87 0.00 2.92 0.31 -1.26 -2.23 118.33 117.61 1xnr n VAL 40 Ca 0.02 -4.02 0.00 0.00 -0.01 0.00 0.00 64.34 60.33 1xnr n VAL 40 Cb 0.54 -0.04 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 1xnr n VAL 40 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1xnr n ARG 41 N 0.01 0.54 -3.78 5.55 0.63 -1.26 -4.82 116.66 113.53 1xnr n ARG 41 Ca 0.20 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 57.00 1xnr n ARG 41 Cb 0.71 0.00 -0.10 0.00 0.45 0.00 0.00 32.46 33.52 1xnr n ARG 41 CO 0.00 0.00 0.00 -0.08 -2.51 0.00 0.00 177.63 175.04 1xnr s THR 42 N -0.35 0.03 0.10 5.15 -1.32 -1.26 -3.73 115.64 114.26 1xnr s THR 42 Ca 0.00 -0.22 0.05 0.00 -1.21 0.00 0.00 61.69 60.31 1xnr s THR 42 Cb 0.00 -0.48 -0.03 0.00 -1.51 0.00 0.00 72.50 70.47 1xnr s THR 42 CO 0.00 -0.12 -0.12 -0.69 -2.21 0.00 0.00 174.62 171.48 1xnr s VAL 43 N -0.46 1.12 -0.22 5.08 1.01 0.83 -4.89 120.40 122.86 1xnr s VAL 43 Ca -0.06 -1.58 -0.16 0.00 0.00 0.00 0.00 61.98 60.18 1xnr s VAL 43 Cb -0.04 -1.34 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 1xnr s VAL 43 CO 0.02 -0.43 0.39 0.42 0.00 0.00 0.00 175.10 175.50 1xnr s THR 44 N -2.04 5.19 0.89 3.92 -4.23 -1.26 -1.51 115.64 116.59 1xnr s THR 44 Ca 0.05 0.68 -0.10 0.00 -1.18 0.00 0.00 61.69 61.13 1xnr s THR 44 Cb -0.05 -3.72 0.13 0.00 1.34 0.00 0.00 72.50 70.19 1xnr s THR 44 CO 0.02 0.22 1.15 -2.84 -0.54 0.00 0.00 174.62 172.63 1xnr s PRO 45 N 1.53 1.20 0.00 3.99 0.02 -1.26 -4.87 135.00 135.61 1xnr s PRO 45 Ca 0.18 1.53 0.00 0.00 0.02 0.00 0.00 61.00 62.73 1xnr s PRO 45 Cb -0.15 -1.75 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1xnr s PRO 45 CO 0.08 -2.50 0.00 0.36 -0.33 0.00 0.00 177.00 174.62 1xnr n LYS 46 N -4.08 2.72 0.00 5.54 2.85 -0.67 -4.74 118.16 119.78 1xnr n LYS 46 Ca 0.12 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.38 1xnr n LYS 46 Cb 0.52 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.90 1xnr n LYS 46 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 1xnr n LYS 47 N 0.00 0.00 -1.70 -1.58 4.81 -1.26 -1.73 118.16 116.70 1xnr n LYS 47 Ca 0.00 0.00 -0.01 0.00 -0.87 0.00 0.00 58.31 57.43 1xnr n LYS 47 Cb 0.00 0.00 0.07 0.00 0.02 0.00 0.00 35.03 35.12 1xnr n LYS 47 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1xnr n PRO 48 N 0.00 1.46 -4.45 1.64 -0.04 -1.26 -5.08 135.00 127.27 1xnr n PRO 48 Ca 0.00 -3.08 -0.25 0.00 -0.04 0.00 0.00 63.50 60.14 1xnr n PRO 48 Cb 0.00 -1.20 -0.10 0.00 -0.04 0.00 0.00 33.50 32.17 1xnr n PRO 48 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 1xnr s ASN 49 N -3.03 3.85 -0.04 3.54 0.02 -0.71 -5.14 114.94 113.43 1xnr s ASN 49 Ca 0.36 -1.04 -0.03 0.00 -1.02 0.00 0.00 52.86 51.13 1xnr s ASN 49 Cb 0.37 -0.42 0.01 0.00 0.02 0.00 0.00 41.25 41.24 1xnr s ASN 49 CO -0.08 -0.10 0.10 -0.55 0.02 0.00 0.00 177.10 176.50 1xnr s SER 50 N -3.60 -0.10 0.00 -1.22 0.15 -1.26 -4.49 113.70 103.18 1xnr s SER 50 Ca 0.32 0.21 0.00 0.00 0.70 0.00 0.00 55.95 57.18 1xnr s SER 50 Cb -0.02 0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.49 1xnr s SER 50 CO 0.17 -0.05 0.00 0.00 1.20 0.00 0.00 173.24 174.56 1xnr n ALA 51 N 3.13 0.00 -2.87 5.45 0.00 -1.26 -4.97 120.51 119.99 1xnr n ALA 51 Ca -0.14 0.00 -0.44 0.00 0.00 0.00 0.00 53.44 52.86 1xnr n ALA 51 Cb 0.59 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.98 1xnr n ALA 51 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1xnr s LEU 52 N 0.00 5.08 -0.07 0.00 2.01 -1.26 -4.15 118.68 120.29 1xnr s LEU 52 Ca 0.00 -1.07 -0.19 0.00 0.01 0.00 0.00 54.13 52.88 1xnr s LEU 52 Cb 0.00 -2.40 -0.05 0.00 0.01 0.00 0.00 46.19 43.75 1xnr s LEU 52 CO 0.00 -0.97 0.53 -0.13 1.01 0.00 0.00 176.35 176.79 1xnr s ARG 53 N 2.67 4.31 -0.34 1.70 1.81 -0.57 -4.84 118.95 123.68 1xnr s ARG 53 Ca 0.14 0.58 -0.27 0.00 -1.72 0.00 0.00 55.73 54.46 1xnr s ARG 53 Cb -0.21 -3.39 0.01 0.00 -0.45 0.00 0.00 34.95 30.92 1xnr s ARG 53 CO 0.10 0.25 0.98 0.15 -0.68 0.00 0.00 175.30 176.11 1xnr s LYS 54 N 0.26 3.95 0.00 3.54 3.01 -1.26 -0.12 119.74 129.11 1xnr s LYS 54 Ca 0.29 0.79 0.00 0.00 -1.01 0.00 0.00 55.97 56.03 1xnr s LYS 54 Cb -0.16 -3.77 0.00 0.00 -1.01 0.00 0.00 37.83 32.89 1xnr s LYS 54 CO 0.13 -0.91 0.00 0.28 0.51 0.00 0.00 175.35 175.36 1xnr n VAL 55 N 5.92 0.00 -3.65 3.17 0.31 -1.24 -1.39 118.33 121.45 1xnr n VAL 55 Ca 0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.42 1xnr n VAL 55 Cb 0.48 -0.14 -0.06 0.00 -0.91 0.00 0.00 33.84 33.20 1xnr n VAL 55 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1xnr s ALA 56 N -2.00 -2.49 -0.15 3.52 0.00 -0.97 -4.37 121.76 115.30 1xnr s ALA 56 Ca 0.00 1.97 -0.21 0.00 0.00 0.00 0.00 51.96 53.71 1xnr s ALA 56 Cb 0.00 -1.88 -0.03 0.00 0.00 0.00 0.00 23.12 21.21 1xnr s ALA 56 CO 0.00 -0.28 0.62 0.21 0.00 0.00 0.00 175.76 176.32 1xnr s LYS 57 N 0.88 4.29 -0.02 0.00 2.20 -0.94 -0.53 119.74 125.62 1xnr s LYS 57 Ca -0.05 0.66 0.06 0.00 -0.36 0.00 0.00 55.97 56.28 1xnr s LYS 57 Cb -0.03 -3.52 -0.01 0.00 -1.51 0.00 0.00 37.83 32.76 1xnr s LYS 57 CO -0.12 -0.09 -0.20 0.08 -0.36 0.00 0.00 175.35 174.66 1xnr s VAL 58 N 1.41 1.58 -0.43 4.02 1.01 -0.03 -1.82 120.40 126.14 1xnr s VAL 58 Ca 0.31 -0.84 -0.17 0.00 0.00 0.00 0.00 61.98 61.27 1xnr s VAL 58 Cb -0.16 -1.33 0.03 0.00 0.00 0.00 0.00 36.38 34.92 1xnr s VAL 58 CO 0.12 0.45 0.45 -0.60 0.00 0.00 0.00 175.10 175.52 1xnr s ARG 59 N -0.36 3.09 0.76 2.72 6.06 -0.99 -0.89 118.95 129.35 1xnr s ARG 59 Ca 0.05 -0.79 -0.12 0.00 -2.50 0.00 0.00 55.73 52.37 1xnr s ARG 59 Cb -0.09 -3.99 0.05 0.00 0.06 0.00 0.00 34.95 30.98 1xnr s ARG 59 CO 0.00 -0.89 1.12 -0.51 -2.50 0.00 0.00 175.30 172.52 1xnr s LEU 60 N 2.16 2.70 0.50 -0.88 2.01 0.50 -0.97 118.68 124.70 1xnr s LEU 60 Ca 0.12 1.04 0.32 0.00 0.01 0.00 0.00 54.13 55.62 1xnr s LEU 60 Cb -0.17 -3.70 1.32 0.00 0.01 0.00 0.00 46.19 43.65 1xnr s LEU 60 CO 0.13 -1.64 1.94 0.71 1.01 0.00 0.00 176.35 178.50 1xnr h THR 61 N -0.87 0.00 -0.70 5.49 1.35 -1.34 -2.74 112.91 114.10 1xnr h THR 61 Ca -0.46 -0.45 -0.44 0.00 -0.55 0.00 0.00 66.41 64.52 1xnr h THR 61 Cb 1.28 1.40 -0.18 0.00 -1.73 0.00 0.00 68.15 68.91 1xnr h THR 61 CO 0.64 0.00 0.55 -1.54 -0.25 0.00 0.00 175.52 174.92 1xnr n SER 62 N -2.93 6.82 -2.92 5.36 3.41 -1.26 -4.84 113.62 117.25 1xnr n SER 62 Ca 0.01 -3.28 -0.11 0.00 -0.26 0.00 0.00 58.87 55.23 1xnr n SER 62 Cb 0.29 -1.05 -0.01 0.00 -0.26 0.00 0.00 64.21 63.17 1xnr n SER 62 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xnr n GLY 63 N 0.05 -0.48 3.71 5.00 0.00 -1.03 -4.90 105.19 107.54 1xnr n GLY 63 Ca 0.41 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 46.22 1xnr n GLY 63 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xnr s TYR 64 N -2.38 2.86 -0.12 1.61 1.51 -1.25 -4.90 117.35 114.67 1xnr s TYR 64 Ca 0.18 -0.17 -0.04 0.00 -1.01 0.00 0.00 57.07 56.03 1xnr s TYR 64 Cb -0.10 -1.28 0.05 0.00 -0.11 0.00 0.00 41.96 40.52 1xnr s TYR 64 CO 0.22 0.58 0.11 -1.21 -1.11 0.00 0.00 175.55 174.14 1xnr s GLU 65 N -3.68 0.03 0.01 -0.62 8.01 -1.23 0.19 118.70 121.40 1xnr s GLU 65 Ca 0.32 0.20 -0.14 0.00 0.01 0.00 0.00 54.97 55.35 1xnr s GLU 65 Cb -0.07 -1.11 0.02 0.00 -4.31 0.00 0.00 34.13 28.66 1xnr s GLU 65 CO 0.22 -0.51 0.31 0.14 0.01 0.00 0.00 175.26 175.42 1xnr s VAL 66 N 2.20 0.07 0.07 2.63 -7.23 -0.06 -4.89 120.40 113.18 1xnr s VAL 66 Ca 0.04 -0.55 -0.29 0.00 -1.81 0.00 0.00 61.98 59.36 1xnr s VAL 66 Cb -0.14 -0.73 -0.05 0.00 0.56 0.00 0.00 36.38 36.02 1xnr s VAL 66 CO -0.07 -0.30 0.94 0.42 -0.31 0.00 0.00 175.10 175.78 1xnr s THR 67 N -1.75 4.64 -0.00 5.32 -4.23 -1.25 -0.85 115.64 117.51 1xnr s THR 67 Ca -0.11 2.01 0.04 0.00 -1.18 0.00 0.00 61.69 62.45 1xnr s THR 67 Cb -0.04 -4.29 -0.01 0.00 1.34 0.00 0.00 72.50 69.50 1xnr s THR 67 CO 0.02 0.28 -0.12 0.00 -0.54 0.00 0.00 174.62 174.26 1xnr s ALA 68 N 0.29 0.98 0.49 3.99 0.00 0.31 -3.90 121.76 123.92 1xnr s ALA 68 Ca 0.47 -0.54 -0.21 0.00 0.00 0.00 0.00 51.96 51.68 1xnr s ALA 68 Cb -0.22 -0.24 -0.07 0.00 0.00 0.00 0.00 23.12 22.59 1xnr s ALA 68 CO 0.28 0.23 1.13 -0.47 0.00 0.00 0.00 175.76 176.94 1xnr s TYR 69 N -0.34 2.83 -0.68 0.00 5.04 0.60 -2.29 117.35 122.52 1xnr s TYR 69 Ca 0.04 1.55 -0.01 0.00 -2.44 0.00 0.00 57.07 56.21 1xnr s TYR 69 Cb -0.05 -3.31 0.17 0.00 0.35 0.00 0.00 41.96 39.13 1xnr s TYR 69 CO -0.00 -1.42 0.50 0.42 -1.34 0.00 0.00 175.55 173.70 1xnr s ILE 70 N -1.67 3.62 0.79 3.14 1.01 -0.48 -1.34 121.20 126.28 1xnr s ILE 70 Ca 0.67 -3.34 -0.14 0.00 0.00 0.00 0.00 60.65 57.83 1xnr s ILE 70 Cb -0.25 -3.35 0.06 0.00 0.01 0.00 0.00 42.46 38.92 1xnr s ILE 70 CO 0.30 -0.93 1.09 -0.81 0.00 0.00 0.00 174.94 174.59 1xnr n PRO 71 N 3.02 0.25 0.00 2.79 -0.04 -1.26 -4.78 135.00 134.98 1xnr n PRO 71 Ca 0.12 0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1xnr n PRO 71 Cb 0.37 -2.34 0.00 0.00 -0.04 0.00 0.00 33.50 31.49 1xnr n PRO 71 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xnr n GLY 72 N 0.77 2.06 0.00 0.55 0.00 -1.26 -4.83 105.19 102.48 1xnr n GLY 72 Ca 0.13 -1.98 0.00 0.00 0.00 0.00 0.00 46.02 44.17 1xnr n GLY 72 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1xnr n GLU 73 N 1.22 0.00 -4.01 1.61 -0.58 -1.26 -4.82 120.64 112.79 1xnr n GLU 73 Ca 0.00 0.64 -0.08 0.00 -0.42 0.00 0.00 57.16 57.30 1xnr n GLU 73 Cb 0.00 -1.37 -0.11 0.00 -0.57 0.00 0.00 31.44 29.39 1xnr n GLU 73 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1xnr s GLY 74 N -0.75 0.30 0.00 0.62 0.00 -1.26 -5.10 107.32 101.14 1xnr s GLY 74 Ca 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 43.95 1xnr s GLY 74 CO 0.00 -0.85 0.00 -2.39 0.00 0.00 0.00 173.10 169.86 1xnr n HIS 75 N 1.14 -0.45 -2.72 1.90 1.44 -1.26 -4.85 115.22 110.41 1xnr n HIS 75 Ca -0.21 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.42 1xnr n HIS 75 Cb 0.57 0.00 0.10 0.00 0.12 0.00 0.00 29.99 30.78 1xnr n HIS 75 CO 0.00 0.00 0.00 0.27 -2.81 0.00 0.00 176.34 173.80 1xnr n ASN 76 N -0.69 -2.08 -4.35 4.39 6.94 -1.26 -5.09 115.26 113.11 1xnr n ASN 76 Ca 0.00 -3.10 -0.39 0.00 -0.02 0.00 0.00 54.58 51.07 1xnr n ASN 76 Cb 0.00 1.46 -0.12 0.00 -2.36 0.00 0.00 39.78 38.76 1xnr n ASN 76 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xnr s LEU 77 N -2.72 4.39 0.00 -4.53 1.43 -1.26 -4.81 118.68 111.18 1xnr s LEU 77 Ca 0.22 -0.93 -0.09 0.00 -1.03 0.00 0.00 54.13 52.30 1xnr s LEU 77 Cb 0.34 -1.96 0.12 0.00 0.03 0.00 0.00 46.19 44.73 1xnr s LEU 77 CO -0.07 -0.31 0.62 0.00 0.23 0.00 0.00 176.35 176.82 1xnr n GLN 78 N 4.92 -1.07 0.14 1.70 6.02 -1.26 -4.86 117.38 122.97 1xnr n GLN 78 Ca -0.13 -0.97 0.12 0.00 -0.01 0.00 0.00 57.00 56.02 1xnr n GLN 78 Cb 0.46 -0.72 0.51 0.00 1.02 0.00 0.00 30.24 31.51 1xnr n GLN 78 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1xnr h GLU 79 N 0.00 0.00 0.00 -1.09 4.22 -1.86 -3.22 114.58 112.63 1xnr h GLU 79 Ca -0.21 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.23 1xnr h GLU 79 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 1xnr h GLU 79 CO 0.14 0.00 -0.31 0.72 -2.18 0.00 0.00 179.01 177.38 1xnr n HIS 80 N -2.30 0.00 -2.37 0.92 8.25 -1.23 -3.98 115.22 114.51 1xnr n HIS 80 Ca 0.02 -0.20 -0.41 0.00 -0.26 0.00 0.00 57.72 56.87 1xnr n HIS 80 Cb 0.23 -0.06 -0.04 0.00 1.12 0.00 0.00 29.99 31.24 1xnr n HIS 80 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1xnr s SER 81 N -1.17 7.11 -0.01 0.41 1.04 -1.22 -4.60 113.70 115.26 1xnr s SER 81 Ca 0.06 2.31 -0.16 0.00 0.48 0.00 0.00 55.95 58.63 1xnr s SER 81 Cb 0.05 -2.62 -0.06 0.00 0.10 0.00 0.00 66.02 63.49 1xnr s SER 81 CO 0.01 -0.31 0.45 0.54 0.98 0.00 0.00 173.24 174.91 1xnr s VAL 82 N -0.59 5.00 0.13 5.02 0.11 -1.26 0.26 120.40 129.07 1xnr s VAL 82 Ca 0.49 0.94 -0.07 0.00 -2.93 0.00 0.00 61.98 60.41 1xnr s VAL 82 Cb -0.33 -3.77 -0.01 0.00 -1.53 0.00 0.00 36.38 30.73 1xnr s VAL 82 CO 0.40 0.52 0.20 0.54 -3.33 0.00 0.00 175.10 173.43 1xnr s VAL 83 N -0.73 0.10 -0.06 2.04 0.11 0.86 -1.61 120.40 121.11 1xnr s VAL 83 Ca 0.25 -1.46 -0.02 0.00 -2.93 0.00 0.00 61.98 57.82 1xnr s VAL 83 Cb -0.17 -1.73 -0.04 0.00 -1.53 0.00 0.00 36.38 32.92 1xnr s VAL 83 CO 0.14 -0.47 0.04 -0.22 -3.33 0.00 0.00 175.10 171.26 1xnr s LEU 84 N -2.95 3.78 0.18 2.54 2.96 -1.26 -0.42 118.68 123.51 1xnr s LEU 84 Ca 0.15 0.18 0.09 0.00 -0.22 0.00 0.00 54.13 54.32 1xnr s LEU 84 Cb 0.05 -1.99 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1xnr s LEU 84 CO -0.03 0.35 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.63 1xnr s ILE 85 N -1.00 3.25 0.05 6.68 1.01 0.05 -1.93 121.20 129.31 1xnr s ILE 85 Ca 0.17 -1.65 -0.02 0.00 0.00 0.00 0.00 60.65 59.14 1xnr s ILE 85 Cb -0.12 -2.62 -0.03 0.00 0.01 0.00 0.00 42.46 39.70 1xnr s ILE 85 CO 0.06 -0.13 0.01 0.00 0.00 0.00 0.00 174.94 174.89 1xnr s ARG 86 N -2.89 0.63 1.10 2.79 1.70 -0.57 -2.06 118.95 119.66 1xnr s ARG 86 Ca 0.25 -1.13 -0.12 0.00 -0.47 0.00 0.00 55.73 54.26 1xnr s ARG 86 Cb -0.09 0.22 0.25 0.00 -0.57 0.00 0.00 34.95 34.77 1xnr s ARG 86 CO 0.16 -0.13 1.06 0.20 -1.08 0.00 0.00 175.30 175.50 1xnr s GLY 87 N -2.80 1.57 0.00 3.88 0.00 -1.26 -1.11 107.32 107.61 1xnr s GLY 87 Ca 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 44.72 44.75 1xnr s GLY 87 CO -0.09 0.63 0.00 0.61 0.00 0.00 0.00 173.10 174.25 1xnr n GLY 88 N 0.47 2.14 0.20 0.20 0.00 -1.11 -4.19 105.19 102.91 1xnr n GLY 88 Ca 0.05 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.63 1xnr n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xnr n ARG 89 N 0.00 -1.48 -3.34 1.61 1.74 -1.23 -2.08 116.66 111.88 1xnr n ARG 89 Ca 0.00 -0.10 -0.12 0.00 -0.77 0.00 0.00 57.85 56.86 1xnr n ARG 89 Cb 0.00 -0.10 -0.07 0.00 -1.02 0.00 0.00 32.46 31.27 1xnr n ARG 89 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1xnr s VAL 90 N -1.10 -0.53 0.35 1.55 1.01 -0.92 -4.76 120.40 116.01 1xnr s VAL 90 Ca 0.04 -0.48 0.23 0.00 0.00 0.00 0.00 61.98 61.77 1xnr s VAL 90 Cb -0.00 -0.87 0.37 0.00 0.00 0.00 0.00 36.38 35.87 1xnr s VAL 90 CO 0.03 -0.38 1.38 1.17 0.00 0.00 0.00 175.10 177.30 1xnr n LYS 91 N 5.06 -0.04 0.04 2.72 3.00 -1.26 -1.93 118.16 125.74 1xnr n LYS 91 Ca 0.03 1.17 -0.20 0.00 -0.00 0.00 0.00 58.31 59.30 1xnr n LYS 91 Cb 0.48 -2.18 -0.11 0.00 0.00 0.00 0.00 35.03 33.23 1xnr n LYS 91 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 1xnr h ASP 92 N 0.00 0.86 -3.81 3.14 5.19 -1.96 -3.42 116.42 116.42 1xnr h ASP 92 Ca 0.76 -0.75 -0.74 0.00 -0.62 0.00 0.00 57.03 55.68 1xnr h ASP 92 Cb 2.20 -0.26 -0.30 0.00 0.18 0.00 0.00 39.33 41.14 1xnr h ASP 92 CO -0.56 1.50 -0.21 -0.76 -3.12 0.00 0.00 179.24 176.09 1xnr s LEU 93 N -8.13 5.90 0.58 1.55 1.43 -0.81 -1.67 118.68 117.53 1xnr s LEU 93 Ca -0.10 -2.56 -0.18 0.00 -1.03 0.00 0.00 54.13 50.25 1xnr s LEU 93 Cb 0.06 -2.02 -0.07 0.00 0.03 0.00 0.00 46.19 44.19 1xnr s LEU 93 CO 0.91 -0.52 0.70 -2.65 0.23 0.00 0.00 176.35 175.01 1xnr n PRO 94 N 4.01 0.65 -0.87 1.29 -0.02 -1.26 -1.98 135.00 136.82 1xnr n PRO 94 Ca 0.06 0.26 0.00 0.00 -2.02 0.00 0.00 63.50 61.79 1xnr n PRO 94 Cb 0.42 -1.89 0.00 0.00 -0.02 0.00 0.00 33.50 32.01 1xnr n PRO 94 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xnr n GLY 95 N 1.59 0.75 3.00 -1.23 0.00 -1.26 -4.99 105.19 103.04 1xnr n GLY 95 Ca 0.13 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 1xnr n GLY 95 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 96 N -2.87 1.93 -0.12 1.61 1.01 -0.84 -4.44 120.40 116.67 1xnr s VAL 96 Ca 0.00 -1.65 0.17 0.00 0.00 0.00 0.00 61.98 60.50 1xnr s VAL 96 Cb 0.00 -2.19 0.42 0.00 0.00 0.00 0.00 36.38 34.61 1xnr s VAL 96 CO 0.00 -0.21 1.20 -2.11 0.00 0.00 0.00 175.10 173.97 1xnr n ARG 97 N 4.49 0.93 -3.88 2.72 1.85 -1.25 -2.17 116.66 119.34 1xnr n ARG 97 Ca -0.09 -2.74 -0.11 0.00 -1.00 0.00 0.00 57.85 53.91 1xnr n ARG 97 Cb 0.43 -0.95 -0.11 0.00 -1.05 0.00 0.00 32.46 30.78 1xnr n ARG 97 CO 0.00 0.00 0.00 0.71 -0.01 0.00 0.00 177.63 178.33 1xnr s TYR 98 N -1.89 0.04 0.09 2.89 1.51 -0.88 -2.73 117.35 116.37 1xnr s TYR 98 Ca 0.36 -0.10 0.06 0.00 -1.01 0.00 0.00 57.07 56.38 1xnr s TYR 98 Cb 0.37 -0.05 -0.04 0.00 -0.11 0.00 0.00 41.96 42.13 1xnr s TYR 98 CO -0.11 -0.22 -0.08 -1.01 -1.11 0.00 0.00 175.55 173.02 1xnr s HIS 99 N -1.06 2.79 0.46 2.71 3.76 -0.26 -0.29 115.29 123.39 1xnr s HIS 99 Ca -0.12 -0.13 -0.08 0.00 -0.15 0.00 0.00 55.06 54.58 1xnr s HIS 99 Cb -0.06 -1.47 -0.05 0.00 1.11 0.00 0.00 32.58 32.10 1xnr s HIS 99 CO 0.01 0.42 0.81 0.42 -0.85 0.00 0.00 174.74 175.55 1xnr s ILE 100 N -1.19 4.82 -1.10 0.60 1.09 -0.45 -1.51 121.20 123.47 1xnr s ILE 100 Ca 0.21 0.48 -0.03 0.00 -1.10 0.00 0.00 60.65 60.22 1xnr s ILE 100 Cb -0.11 -3.80 0.28 0.00 -1.06 0.00 0.00 42.46 37.77 1xnr s ILE 100 CO 0.13 -0.72 1.81 0.52 -0.10 0.00 0.00 174.94 176.59 1xnr n VAL 101 N -1.84 5.70 -0.60 2.92 0.31 -0.81 -4.66 118.33 119.35 1xnr n VAL 101 Ca 0.02 -5.67 -0.10 0.00 -0.01 0.00 0.00 64.34 58.59 1xnr n VAL 101 Cb 0.54 -1.81 -0.09 0.00 -0.91 0.00 0.00 33.84 31.58 1xnr n VAL 101 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 1xnr n ARG 102 N 0.77 0.00 0.00 5.55 5.12 -1.26 -1.04 116.66 125.80 1xnr n ARG 102 Ca 0.43 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.35 1xnr n ARG 102 Cb 0.28 -0.42 0.00 0.00 -1.16 0.00 0.00 32.46 31.16 1xnr n ARG 102 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xnr n GLY 103 N 2.24 0.58 3.28 -0.13 0.00 -0.02 -0.97 105.19 110.18 1xnr n GLY 103 Ca 0.27 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.97 1xnr n GLY 103 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 104 N 0.00 2.20 0.00 1.61 1.01 -0.21 -4.73 120.40 120.28 1xnr s VAL 104 Ca 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1xnr s VAL 104 Cb 0.00 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.56 1xnr s VAL 104 CO 0.00 0.57 0.00 -1.22 0.00 0.00 0.00 175.10 174.45 1xnr n TYR 105 N 3.08 0.00 0.01 5.22 0.53 -1.26 -3.65 117.16 121.10 1xnr n TYR 105 Ca -0.18 0.00 0.02 0.00 -1.02 0.00 0.00 57.90 56.72 1xnr n TYR 105 Cb 0.52 0.00 -0.10 0.00 -1.03 0.00 0.00 39.34 38.73 1xnr n TYR 105 CO 0.00 0.00 0.00 -0.25 -1.02 0.00 0.00 176.86 175.59 1xnr n ASP 106 N 9.86 0.60 -4.57 7.72 10.43 -0.63 -4.71 116.55 135.25 1xnr n ASP 106 Ca 0.00 0.26 -0.35 0.00 2.57 0.00 0.00 54.79 57.26 1xnr n ASP 106 Cb 0.00 0.61 -0.03 0.00 1.84 0.00 0.00 41.12 43.53 1xnr n ASP 106 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1xnr s ALA 107 N -3.00 2.39 0.44 2.24 0.00 -1.24 -4.89 121.76 117.70 1xnr s ALA 107 Ca -0.04 -2.15 -0.23 0.00 0.00 0.00 0.00 51.96 49.53 1xnr s ALA 107 Cb 0.09 -4.58 -0.11 0.00 0.00 0.00 0.00 23.12 18.52 1xnr s ALA 107 CO 0.83 -4.15 0.81 0.00 0.00 0.00 0.00 175.76 173.25 1xnr n ALA 108 N 11.09 -0.53 -0.48 0.00 0.00 -1.26 -0.84 120.51 128.49 1xnr n ALA 108 Ca 0.40 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.73 1xnr n ALA 108 Cb 0.48 -1.95 0.26 0.00 0.00 0.00 0.00 19.45 18.23 1xnr n ALA 108 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnr n GLY 109 N 1.45 -2.19 3.76 0.00 0.00 -1.26 -4.32 105.19 102.63 1xnr n GLY 109 Ca 0.11 -1.16 -0.32 0.00 0.00 0.00 0.00 46.02 44.65 1xnr n GLY 109 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xnr s VAL 110 N -2.37 3.17 0.13 1.61 1.01 -0.96 -4.92 120.40 118.06 1xnr s VAL 110 Ca 0.67 0.42 0.09 0.00 0.00 0.00 0.00 61.98 63.16 1xnr s VAL 110 Cb -0.24 -2.87 -0.04 0.00 0.00 0.00 0.00 36.38 33.23 1xnr s VAL 110 CO 0.66 -0.46 -0.19 -0.54 0.00 0.00 0.00 175.10 174.56 1xnr s LYS 111 N -4.69 1.72 -1.83 2.72 -0.14 -1.26 -4.64 119.74 111.61 1xnr s LYS 111 Ca 0.63 -1.23 0.00 0.00 -1.36 0.00 0.00 55.97 54.01 1xnr s LYS 111 Cb -0.19 -2.07 0.00 0.00 -1.68 0.00 0.00 37.83 33.90 1xnr s LYS 111 CO 0.53 0.47 0.00 -0.25 -0.76 0.00 0.00 175.35 175.34 1xnr n ASP 112 N 0.75 -5.12 -4.61 2.83 10.43 -1.26 -4.97 116.55 114.60 1xnr n ASP 112 Ca -0.16 0.39 -0.39 0.00 2.57 0.00 0.00 54.79 57.21 1xnr n ASP 112 Cb 0.53 -4.17 -0.09 0.00 1.84 0.00 0.00 41.12 39.23 1xnr n ASP 112 CO 0.00 0.00 0.00 -0.60 -1.07 0.00 0.00 177.20 175.53 1xnr s ARG 113 N -3.63 4.03 -0.11 -1.24 3.52 -1.26 -4.95 118.95 115.31 1xnr s ARG 113 Ca 0.00 0.00 0.14 0.00 -0.13 0.00 0.00 55.73 55.75 1xnr s ARG 113 Cb 0.00 -3.64 -0.24 0.00 -1.56 0.00 0.00 34.95 29.51 1xnr s ARG 113 CO 0.00 -0.23 0.42 1.63 -0.81 0.00 0.00 175.30 176.31 1xnr n LYS 114 N 5.18 0.66 0.00 5.12 4.76 -1.26 -4.87 118.16 127.75 1xnr n LYS 114 Ca -0.09 0.18 0.00 0.00 -2.87 0.00 0.00 58.31 55.52 1xnr n LYS 114 Cb 0.51 -1.68 0.00 0.00 -1.84 0.00 0.00 35.03 32.02 1xnr n LYS 114 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1xnr n LYS 115 N -2.93 0.00 -1.42 1.97 5.02 -1.26 -4.72 118.16 114.81 1xnr n LYS 115 Ca -0.24 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 55.92 1xnr n LYS 115 Cb 1.09 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.98 1xnr n LYS 115 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1xnr n SER 116 N 0.00 -0.36 -0.07 4.39 7.64 -1.26 -4.67 113.62 119.28 1xnr n SER 116 Ca 0.00 -1.25 -0.12 0.00 1.01 0.00 0.00 58.87 58.51 1xnr n SER 116 Cb 0.00 -1.00 -0.15 0.00 -1.01 0.00 0.00 64.21 62.05 1xnr n SER 116 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1xnr n ARG 117 N 6.49 0.67 -0.30 1.43 1.74 -1.26 -4.24 116.66 121.20 1xnr n ARG 117 Ca 0.44 0.14 0.01 0.00 -0.77 0.00 0.00 57.85 57.67 1xnr n ARG 117 Cb 0.34 -1.62 0.21 0.00 -1.02 0.00 0.00 32.46 30.37 1xnr n ARG 117 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1xnr h SER 118 N 0.01 0.96 -3.38 0.55 4.64 -1.87 -3.04 113.55 111.42 1xnr h SER 118 Ca -0.46 -0.01 -0.55 0.00 -0.47 0.00 0.00 61.79 60.29 1xnr h SER 118 Cb 2.10 -0.22 -0.04 0.00 -0.31 0.00 0.00 62.40 63.92 1xnr h SER 118 CO 0.03 0.66 0.09 -0.54 -0.87 0.00 0.00 176.83 176.20 1xnr s LYS 119 N -5.94 4.43 0.00 4.77 1.02 -1.26 -3.14 119.74 119.61 1xnr s LYS 119 Ca -0.12 0.94 0.00 0.00 0.02 0.00 0.00 55.97 56.81 1xnr s LYS 119 Cb 0.19 -3.35 0.00 0.00 -0.52 0.00 0.00 37.83 34.15 1xnr s LYS 119 CO 0.80 0.33 0.00 0.66 -0.92 0.00 0.00 175.35 176.22 1xnr n TYR 120 N 2.71 0.00 -0.35 3.18 0.53 -1.25 -4.76 117.16 117.22 1xnr n TYR 120 Ca -0.04 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.84 1xnr n TYR 120 Cb 0.50 -0.48 0.00 0.00 -1.03 0.00 0.00 39.34 38.34 1xnr n TYR 120 CO 0.00 0.00 0.00 0.41 -1.02 0.00 0.00 176.86 176.25 1xnr n GLY 121 N -1.89 0.00 3.20 2.72 0.00 -0.14 -2.27 105.19 106.81 1xnr n GLY 121 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 1xnr n GLY 121 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xnr s THR 122 N -0.16 2.02 1.08 2.61 -4.23 -1.16 -4.06 115.64 111.74 1xnr s THR 122 Ca 0.00 -0.99 -0.13 0.00 -1.18 0.00 0.00 61.69 59.39 1xnr s THR 122 Cb 0.00 -1.76 0.20 0.00 1.34 0.00 0.00 72.50 72.28 1xnr s THR 122 CO 0.00 0.55 0.82 0.29 -0.54 0.00 0.00 174.62 175.74 1xnr n LYS 123 N 3.63 -1.59 -1.84 3.99 4.76 -1.26 -4.79 118.16 121.05 1xnr n LYS 123 Ca -0.19 -0.43 -0.42 0.00 -2.87 0.00 0.00 58.31 54.40 1xnr n LYS 123 Cb 0.53 -2.11 -0.03 0.00 -1.84 0.00 0.00 35.03 31.57 1xnr n LYS 123 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 1xnr s LYS 124 N -4.22 4.18 0.21 1.97 2.47 -1.26 -4.88 119.74 118.20 1xnr s LYS 124 Ca 0.65 2.45 -0.32 0.00 -1.56 0.00 0.00 55.97 57.19 1xnr s LYS 124 Cb -0.22 -3.35 -0.15 0.00 -1.46 0.00 0.00 37.83 32.66 1xnr s LYS 124 CO 0.64 -0.72 1.29 -0.35 0.16 0.00 0.00 175.35 176.37 1xnr n PRO 125 N 4.76 1.61 0.00 4.03 -0.04 -1.26 -4.72 135.00 139.37 1xnr n PRO 125 Ca 0.16 0.57 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1xnr n PRO 125 Cb 0.38 -2.15 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 1xnr n PRO 125 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1xnr n LYS 126 N 1.92 0.03 0.00 0.54 4.01 -1.26 -4.12 118.16 119.28 1xnr n LYS 126 Ca 0.13 0.00 0.15 0.00 -0.51 0.00 0.00 58.31 58.08 1xnr n LYS 126 Cb 0.28 -1.00 0.23 0.00 -0.51 0.00 0.00 35.03 34.03 1xnr n LYS 126 CO 0.00 0.00 0.00 -0.85 -1.11 0.00 0.00 177.40 175.44 1xnr n GLU 127 N -0.46 0.02 0.00 1.97 0.28 -1.26 -5.33 120.64 115.85 1xnr n GLU 127 Ca 0.00 0.87 0.00 0.00 -0.16 0.00 0.00 57.16 57.87 1xnr n GLU 127 Cb 0.00 -2.23 0.00 0.00 1.43 0.00 0.00 31.44 30.64 1xnr n GLU 127 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97