#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k3m n SER 2 N 0.00 0.27 0.00 7.83 7.64 -1.26 -4.79 113.62 123.31 2k3m n SER 2 Ca 0.00 -1.56 0.00 0.00 1.01 0.00 0.00 58.87 58.32 2k3m n SER 2 Cb 0.00 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2k3m n ASP 3 N -0.29 0.00 -3.03 6.43 2.03 -1.26 -5.15 116.55 115.29 2k3m n ASP 3 Ca 0.00 0.00 0.02 0.00 0.52 0.00 0.00 54.79 55.33 2k3m n ASP 3 Cb 0.07 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2k3m n ASP 3 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2k3m s PHE 4 N -0.41 -1.11 0.43 -0.67 5.36 -1.26 -5.15 117.98 115.17 2k3m s PHE 4 Ca 0.00 0.26 -0.23 0.00 -0.96 0.00 0.00 56.93 56.00 2k3m s PHE 4 Cb 0.00 0.20 -0.08 0.00 -0.34 0.00 0.00 43.02 42.80 2k3m s PHE 4 CO 0.00 -0.74 1.08 -0.51 -1.46 0.00 0.00 175.22 173.60 2k3m s ASP 5 N 2.08 6.52 0.95 6.13 1.01 -1.26 -4.99 116.67 127.10 2k3m s ASP 5 Ca 0.16 2.10 -0.11 0.00 0.71 0.00 0.00 52.55 55.40 2k3m s ASP 5 Cb -0.02 -2.59 0.10 0.00 1.01 0.00 0.00 42.92 41.43 2k3m s ASP 5 CO -0.13 -0.66 0.80 0.41 0.21 0.00 0.00 175.17 175.80 2k3m n THR 6 N -0.34 0.00 0.38 -1.27 -1.04 -1.26 -4.35 114.28 106.40 2k3m n THR 6 Ca 0.06 -0.10 -0.19 0.00 -2.04 0.00 0.00 64.05 61.79 2k3m n THR 6 Cb 0.50 -0.83 -0.10 0.00 -1.82 0.00 0.00 70.33 68.08 2k3m n THR 6 CO 0.00 0.00 0.00 -0.08 -0.64 0.00 0.00 175.07 174.35 2k3m h GLU 7 N -1.79 -1.08 -0.42 -2.82 4.81 -1.96 3.23 114.58 114.55 2k3m h GLU 7 Ca -0.44 0.07 0.09 0.00 -0.13 0.00 0.00 59.36 58.95 2k3m h GLU 7 Cb 1.28 0.24 -0.09 0.00 0.63 0.00 0.00 28.75 30.81 2k3m h GLU 7 CO 0.38 -0.72 -0.23 0.07 -0.73 0.00 0.00 179.01 177.79 2k3m h ARG 8 N -1.12 -0.14 -0.17 1.92 0.11 -1.97 2.67 114.38 115.68 2k3m h ARG 8 Ca -0.09 0.01 -0.01 0.00 0.10 0.00 0.00 59.98 59.99 2k3m h ARG 8 Cb 0.91 0.03 -0.01 0.00 1.11 0.00 0.00 29.97 32.02 2k3m h ARG 8 CO 0.06 -0.10 0.07 0.28 0.10 0.00 0.00 179.97 180.38 2k3m h VAL 9 N -0.15 1.14 0.65 0.08 2.07 -1.84 0.60 116.25 118.80 2k3m h VAL 9 Ca 0.20 -0.41 -0.03 0.00 0.82 0.00 0.00 66.70 67.28 2k3m h VAL 9 Cb 0.46 1.11 0.01 0.00 -1.52 0.00 0.00 31.29 31.35 2k3m h VAL 9 CO -0.51 0.13 -0.31 -1.28 0.02 0.00 0.00 177.57 175.62 2k3m h SER 10 N 0.13 -0.74 0.54 0.57 0.87 0.78 0.20 113.55 115.90 2k3m h SER 10 Ca 0.06 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2k3m h SER 10 Cb 0.14 0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 62.28 2k3m h SER 10 CO -0.01 -0.46 -0.39 -0.09 -0.53 0.00 0.00 176.83 175.35 2k3m h ARG 11 N -1.00 -0.87 -0.68 2.24 1.12 0.45 1.62 114.38 117.26 2k3m h ARG 11 Ca -0.09 0.06 0.15 0.00 -1.11 0.00 0.00 59.98 58.99 2k3m h ARG 11 Cb 0.67 0.20 -0.12 0.00 -0.01 0.00 0.00 29.97 30.71 2k3m h ARG 11 CO 0.15 -0.58 -0.01 0.00 -3.11 0.00 0.00 179.97 176.42 2k3m h ALA 12 N -0.58 0.67 -0.21 2.80 0.00 0.17 2.57 119.26 124.69 2k3m h ALA 12 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k3m h ALA 12 Cb 0.75 0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k3m h ALA 12 CO 0.03 -0.41 0.13 0.28 0.00 0.00 0.00 179.25 179.28 2k3m h VAL 13 N 0.10 1.07 0.79 0.00 2.07 0.09 0.95 116.25 121.32 2k3m h VAL 13 Ca 0.36 -0.16 -0.04 0.00 0.82 0.00 0.00 66.70 67.68 2k3m h VAL 13 Cb 0.60 0.81 0.01 0.00 -1.52 0.00 0.00 31.29 31.18 2k3m h VAL 13 CO -0.59 0.07 -0.38 0.00 0.02 0.00 0.00 177.57 176.69 2k3m h ALA 14 N 1.05 -1.24 -0.10 1.67 0.00 1.04 2.78 119.26 124.47 2k3m h ALA 14 Ca 0.07 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 14 Cb -0.00 0.41 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2k3m h ALA 14 CO -0.01 -1.16 -0.32 0.00 0.00 0.00 0.00 179.25 177.76 2k3m h ALA 15 N -1.48 -0.39 0.41 0.00 0.00 0.40 1.92 119.26 120.13 2k3m h ALA 15 Ca -0.11 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 2k3m h ALA 15 Cb 0.81 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2k3m h ALA 15 CO 0.18 -0.80 -0.20 0.00 0.00 0.00 0.00 179.25 178.42 2k3m h ALA 16 N 0.39 -0.56 0.22 0.00 0.00 0.97 2.40 119.26 122.69 2k3m h ALA 16 Ca 0.09 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2k3m h ALA 16 Cb 0.55 0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 2k3m h ALA 16 CO -0.33 -0.77 -0.23 1.25 0.00 0.00 0.00 179.25 179.16 2k3m h LEU 17 N -0.63 -0.62 0.38 0.00 6.46 0.54 1.56 115.31 123.00 2k3m h LEU 17 Ca -0.06 0.06 -0.02 0.00 -0.12 0.00 0.00 57.88 57.74 2k3m h LEU 17 Cb 0.47 0.21 0.00 0.00 -0.73 0.00 0.00 40.66 40.62 2k3m h LEU 17 CO 0.09 -0.34 -0.18 -0.37 -0.62 0.00 0.00 178.44 177.02 2k3m h VAL 18 N -0.49 0.47 -1.34 1.05 -1.51 0.30 -3.37 116.25 111.37 2k3m h VAL 18 Ca -0.00 -0.62 -0.03 0.00 -1.23 0.00 0.00 66.70 64.82 2k3m h VAL 18 Cb 0.46 0.71 0.01 0.00 -2.13 0.00 0.00 31.29 30.35 2k3m h VAL 18 CO -0.06 0.09 -0.00 0.61 -1.23 0.00 0.00 177.57 176.98 2k3m n GLY 19 N -0.12 -3.21 0.16 5.19 0.00 0.81 -4.89 105.19 103.13 2k3m n GLY 19 Ca -0.09 -1.33 0.04 0.00 0.00 0.00 0.00 46.02 44.64 2k3m n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k3m h PRO 20 N 0.00 0.00 0.80 1.61 0.14 -1.76 -3.31 132.00 129.48 2k3m h PRO 20 Ca -0.03 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 66.07 2k3m h PRO 20 Cb 0.09 0.00 0.00 0.00 0.14 0.00 0.00 31.00 31.24 2k3m h PRO 20 CO 0.02 0.45 -0.42 0.78 0.14 0.00 0.00 178.00 178.96 2k3m h GLY 21 N 3.04 -1.19 0.77 1.56 0.00 -1.82 2.32 103.07 107.75 2k3m h GLY 21 Ca -0.00 0.46 -0.00 0.00 0.00 0.00 0.00 47.33 47.78 2k3m h GLY 21 CO 0.06 -0.43 -0.23 -1.33 0.00 0.00 0.00 176.54 174.62 2k3m h GLY 22 N -1.12 -0.52 0.67 4.60 0.00 0.21 0.19 103.07 107.10 2k3m h GLY 22 Ca -0.11 0.26 0.16 0.00 0.00 0.00 0.00 47.33 47.64 2k3m h GLY 22 CO 0.16 -0.21 0.49 -2.08 0.00 0.00 0.00 176.54 174.90 2k3m h VAL 23 N -0.50 0.75 0.88 4.60 2.07 -1.35 0.12 116.25 122.82 2k3m h VAL 23 Ca -0.01 -0.10 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 2k3m h VAL 23 Cb 0.46 0.44 0.01 0.00 -1.52 0.00 0.00 31.29 30.67 2k3m h VAL 23 CO -0.03 0.05 -0.42 0.00 0.02 0.00 0.00 177.57 177.19 2k3m h ALA 24 N 1.66 -1.28 -0.19 1.67 0.00 0.70 -1.71 119.26 120.10 2k3m h ALA 24 Ca 0.36 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2k3m h ALA 24 Cb 0.98 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 2k3m h ALA 24 CO -0.09 -1.20 0.05 1.25 0.00 0.00 0.00 179.25 179.27 2k3m h LEU 25 N -1.22 0.28 0.95 0.00 5.85 -0.38 -1.48 115.31 119.31 2k3m h LEU 25 Ca -0.12 -0.22 -0.05 0.00 0.84 0.00 0.00 57.88 58.33 2k3m h LEU 25 Cb 0.91 -0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.87 2k3m h LEU 25 CO 0.20 0.43 -0.46 0.58 -0.34 0.00 0.00 178.44 178.85 2k3m h VAL 26 N 0.12 0.00 -0.76 1.05 2.07 -1.07 0.11 116.25 117.77 2k3m h VAL 26 Ca 0.06 -0.01 0.12 0.00 0.82 0.00 0.00 66.70 67.69 2k3m h VAL 26 Cb 0.25 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 2k3m h VAL 26 CO -0.00 0.00 0.50 1.62 0.02 0.00 0.00 177.57 179.71 2k3m h VAL 27 N -1.29 0.86 0.26 2.57 3.04 -1.39 0.20 116.25 120.50 2k3m h VAL 27 Ca -0.13 -0.19 -0.01 0.00 -1.01 0.00 0.00 66.70 65.36 2k3m h VAL 27 Cb 0.98 0.27 0.00 0.00 -2.01 0.00 0.00 31.29 30.53 2k3m h VAL 27 CO 0.21 0.10 -0.12 0.50 -1.01 0.00 0.00 177.57 177.25 2k3m h LYS 28 N 0.54 -0.33 -0.03 4.17 3.64 -1.04 -0.43 116.57 123.09 2k3m h LYS 28 Ca 0.36 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.77 2k3m h LYS 28 Cb 0.67 0.08 -0.00 0.00 -0.41 0.00 0.00 32.23 32.56 2k3m h LYS 28 CO -0.13 0.01 0.02 0.28 -2.27 0.00 0.00 179.45 177.35 2k3m h VAL 29 N -0.72 1.08 0.68 2.00 2.07 -0.19 0.58 116.25 121.74 2k3m h VAL 29 Ca -0.04 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.23 2k3m h VAL 29 Cb 0.49 1.17 0.01 0.00 -1.52 0.00 0.00 31.29 31.44 2k3m h VAL 29 CO 0.06 0.06 -0.33 0.00 0.02 0.00 0.00 177.57 177.38 2k3m h ALA 31 N -1.36 -0.22 -2.76 0.00 0.00 -1.12 -3.49 119.26 110.31 2k3m h ALA 31 Ca -0.09 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2k3m h ALA 31 Cb 0.70 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2k3m h ALA 31 CO 0.15 -0.60 0.00 0.41 0.00 0.00 0.00 179.25 179.21 2k3m n GLY 32 N -1.07 -0.48 1.14 0.00 0.00 0.20 -4.89 105.19 100.10 2k3m n GLY 32 Ca -0.09 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2k3m n GLY 32 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2k3m n LEU 33 N -0.59 -1.53 -0.19 0.99 0.00 -1.25 -4.88 117.00 109.55 2k3m n LEU 33 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 56.01 56.22 2k3m n LEU 33 Cb 0.13 -0.76 0.58 0.00 0.00 0.00 0.00 43.42 43.37 2k3m n LEU 33 CO 0.00 0.00 1.23 -0.65 0.00 0.00 0.00 177.39 177.97 2k3m h PRO 34 N 0.00 0.25 0.80 1.96 0.11 -1.89 -2.86 132.00 130.38 2k3m h PRO 34 Ca 0.00 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 2k3m h PRO 34 Cb 0.00 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.06 2k3m h PRO 34 CO 0.00 0.17 -0.44 0.78 -0.21 0.00 0.00 178.00 178.30 2k3m h GLY 35 N 0.26 -1.23 -2.63 -0.55 0.00 -1.96 -3.43 103.07 93.54 2k3m h GLY 35 Ca 0.42 0.48 -0.47 0.00 0.00 0.00 0.00 47.33 47.76 2k3m h GLY 35 CO -0.11 -0.43 -0.18 0.54 0.00 0.00 0.00 176.54 176.35 2k3m s VAL 36 N -5.99 4.96 0.00 4.60 0.11 -1.08 -5.02 120.40 117.98 2k3m s VAL 36 Ca -0.19 -0.48 0.00 0.00 -2.93 0.00 0.00 61.98 58.38 2k3m s VAL 36 Cb 0.03 -3.81 0.00 0.00 -1.53 0.00 0.00 36.38 31.07 2k3m s VAL 36 CO 0.61 -0.53 0.00 0.00 -3.33 0.00 0.00 175.10 171.85 2k3m n ILE 37 N -1.82 0.00 -3.89 7.04 0.13 -1.26 -4.71 119.36 114.85 2k3m n ILE 37 Ca -0.04 0.00 -0.16 0.00 -1.10 0.00 0.00 62.75 61.45 2k3m n ILE 37 Cb 0.56 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 39.20 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 2.80 0.00 0.00 176.55 178.35 2k3m s HIS 38 N 0.00 0.23 0.27 9.51 3.76 -1.26 -5.10 115.29 122.70 2k3m s HIS 38 Ca 0.00 0.03 -0.06 0.00 -0.15 0.00 0.00 55.06 54.88 2k3m s HIS 38 Cb 0.00 -0.34 -0.06 0.00 1.11 0.00 0.00 32.58 33.29 2k3m s HIS 38 CO 0.00 -0.11 0.55 -0.08 -0.85 0.00 0.00 174.74 174.25 2k3m s THR 39 N 0.94 5.00 -0.05 1.30 -1.32 -1.26 -5.03 115.64 115.22 2k3m s THR 39 Ca -0.09 0.19 -0.08 0.00 -1.21 0.00 0.00 61.69 60.50 2k3m s THR 39 Cb -0.13 -3.70 -0.29 0.00 -1.51 0.00 0.00 72.50 66.88 2k3m s THR 39 CO -0.02 -0.25 0.66 1.55 -2.21 0.00 0.00 174.62 174.36 2k3m h PRO 40 N 1.95 0.33 -4.83 7.08 0.14 -2.07 -3.46 132.00 131.14 2k3m h PRO 40 Ca -0.47 -0.57 -0.58 0.00 0.14 0.00 0.00 66.00 64.52 2k3m h PRO 40 Cb 1.18 0.21 -0.33 0.00 0.14 0.00 0.00 31.00 32.20 2k3m h PRO 40 CO 0.67 1.23 -0.84 0.00 0.14 0.00 0.00 178.00 179.21 2k3m s ALA 41 N -2.58 1.59 -0.05 -0.56 0.00 -1.26 -5.12 121.76 113.78 2k3m s ALA 41 Ca -0.15 -0.62 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 2k3m s ALA 41 Cb 0.06 -0.66 0.13 0.00 0.00 0.00 0.00 23.12 22.65 2k3m s ALA 41 CO 0.84 0.17 1.30 0.50 0.00 0.00 0.00 175.76 178.58 2k3m s ARG 42 N 0.56 0.33 0.36 0.00 3.52 -1.26 -5.00 118.95 117.45 2k3m s ARG 42 Ca -0.16 -0.18 0.11 0.00 -0.13 0.00 0.00 55.73 55.37 2k3m s ARG 42 Cb -0.17 0.12 0.88 0.00 -1.56 0.00 0.00 34.95 34.22 2k3m s ARG 42 CO 0.05 -0.15 1.83 -0.09 -0.81 0.00 0.00 175.30 176.14 2k3m h ARG 43 N 2.00 0.61 0.00 5.12 9.65 -2.00 -3.45 114.38 126.31 2k3m h ARG 43 Ca -0.29 -0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.56 2k3m h ARG 43 Cb 1.20 -0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.64 2k3m h ARG 43 CO 0.28 0.40 0.00 0.41 2.80 0.00 0.00 179.97 183.86 2k3m n GLY 44 N -1.43 1.88 3.24 2.80 0.00 -1.26 -5.10 105.19 105.33 2k3m n GLY 44 Ca 0.20 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.09 2k3m n GLY 44 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2k3m s PHE 45 N -1.48 -0.19 0.00 1.61 2.19 -1.26 -5.08 117.98 113.77 2k3m s PHE 45 Ca 0.00 0.28 0.00 0.00 0.33 0.00 0.00 56.93 57.54 2k3m s PHE 45 Cb 0.00 0.10 0.00 0.00 -1.31 0.00 0.00 43.02 41.81 2k3m s PHE 45 CO 0.00 -0.39 0.00 1.19 1.83 0.00 0.00 175.22 177.85 2k3m n PHE 46 N 1.28 0.00 0.00 10.12 3.01 -1.26 -5.08 117.46 125.52 2k3m n PHE 46 Ca -0.22 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.24 2k3m n PHE 46 Cb 0.56 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.03 2k3m n PHE 46 CO 0.00 0.00 0.00 2.89 1.01 0.00 0.00 176.76 180.66 2k3m n ARG 47 N 0.00 0.00 -2.19 -1.08 1.85 -1.26 -5.10 116.66 108.88 2k3m n ARG 47 Ca 0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.84 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.41 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2k3m s ASN 49 N -2.34 1.16 -0.60 0.00 0.01 -1.26 -5.03 114.94 106.87 2k3m s ASN 49 Ca 0.02 -0.19 -0.15 0.00 -0.71 0.00 0.00 52.86 51.82 2k3m s ASN 49 Cb -0.00 -0.13 -0.14 0.00 0.41 0.00 0.00 41.25 41.40 2k3m s ASN 49 CO 0.34 0.11 1.81 -0.81 -1.51 0.00 0.00 177.10 177.04 2k3m n PRO 50 N 2.79 1.27 -0.90 -0.60 -0.04 -1.26 -3.99 135.00 132.27 2k3m n PRO 50 Ca -0.14 -1.42 0.00 0.00 -0.04 0.00 0.00 63.50 61.90 2k3m n PRO 50 Cb 0.57 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.44 2k3m n PRO 50 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 2k3m n GLU 51 N 6.00 -1.19 -2.72 0.54 4.71 -1.26 -4.96 120.64 121.77 2k3m n GLU 51 Ca 0.41 0.30 -0.27 0.00 -0.01 0.00 0.00 57.16 57.59 2k3m n GLU 51 Cb 0.27 -4.46 -0.00 0.00 -1.01 0.00 0.00 31.44 26.23 2k3m n GLU 51 CO 0.00 0.00 0.00 1.03 0.09 0.00 0.00 177.13 178.25 2k3m s ARG 52 N -1.39 3.54 0.13 3.49 0.52 -1.26 -5.04 118.95 118.95 2k3m s ARG 52 Ca 0.00 0.15 -0.30 0.00 -0.52 0.00 0.00 55.73 55.06 2k3m s ARG 52 Cb 0.00 -2.40 -0.06 0.00 0.52 0.00 0.00 34.95 33.00 2k3m s ARG 52 CO 0.00 -0.17 0.96 -1.50 0.02 0.00 0.00 175.30 174.62 2k3m s ILE 53 N -2.69 4.41 -1.00 1.52 2.07 -1.26 -4.79 121.20 119.46 2k3m s ILE 53 Ca 0.47 2.06 -0.26 0.00 -1.41 0.00 0.00 60.65 61.51 2k3m s ILE 53 Cb -0.10 -4.32 -0.19 0.00 0.13 0.00 0.00 42.46 37.98 2k3m s ILE 53 CO 0.44 0.35 2.19 0.00 -1.91 0.00 0.00 174.94 176.00 2k3m s GLN 54 N -0.21 1.36 0.09 3.50 -2.07 -1.26 -4.79 119.66 116.28 2k3m s GLN 54 Ca 0.46 -0.21 -0.12 0.00 -1.82 0.00 0.00 55.36 53.67 2k3m s GLN 54 Cb -0.24 -4.94 0.01 0.00 -1.09 0.00 0.00 33.01 26.76 2k3m s GLN 54 CO 0.30 -5.13 0.28 -1.50 -1.32 0.00 0.00 175.29 167.92 2k3m s ILE 55 N 16.09 0.11 0.00 3.63 2.07 -1.26 -4.92 121.20 136.91 2k3m s ILE 55 Ca 0.84 -0.87 0.00 0.00 -1.41 0.00 0.00 60.65 59.20 2k3m s ILE 55 Cb -0.07 -1.18 0.00 0.00 0.13 0.00 0.00 42.46 41.34 2k3m s ILE 55 CO 0.15 -0.48 0.00 0.61 -1.91 0.00 0.00 174.94 173.30 2k3m n GLY 56 N 0.06 0.60 3.57 1.50 0.00 -1.26 -5.05 105.19 104.61 2k3m n GLY 56 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.43 2k3m n GLY 56 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2k3m s ASP 57 N -1.97 6.41 0.67 1.61 -4.77 -1.26 -5.00 116.67 112.36 2k3m s ASP 57 Ca 0.00 -0.02 -0.01 0.00 -3.30 0.00 0.00 52.55 49.21 2k3m s ASP 57 Cb 0.00 -2.53 0.09 0.00 -1.09 0.00 0.00 42.92 39.38 2k3m s ASP 57 CO 0.00 -1.46 0.93 0.26 0.70 0.00 0.00 175.17 175.60 2k3m s TRP 58 N 4.83 2.22 -0.07 2.11 0.52 -1.26 -5.06 118.94 122.24 2k3m s TRP 58 Ca 0.40 -0.06 -0.02 0.00 0.02 0.00 0.00 56.10 56.44 2k3m s TRP 58 Cb -0.08 -2.97 -0.01 0.00 -1.15 0.00 0.00 33.47 29.25 2k3m s TRP 58 CO 0.23 -1.40 0.10 0.00 0.02 0.00 0.00 176.95 175.91 2k3m h ARG 59 N -0.36 -0.07 0.00 4.98 3.08 -2.00 -3.37 114.38 116.64 2k3m h ARG 59 Ca -0.40 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.66 2k3m h ARG 59 Cb 1.28 0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.35 2k3m h ARG 59 CO 0.47 -0.05 -0.71 0.98 -1.07 0.00 0.00 179.97 179.60 2k3m n TYR 60 N -4.10 0.15 0.54 3.04 9.36 -1.26 -4.11 117.16 120.78 2k3m n TYR 60 Ca -0.01 0.04 0.13 0.00 3.32 0.00 0.00 57.90 61.38 2k3m n TYR 60 Cb 0.03 -0.33 0.32 0.00 -0.63 0.00 0.00 39.34 38.73 2k3m n TYR 60 CO 0.00 0.00 0.00 1.49 0.22 0.00 0.00 176.86 178.57 2k3m h GLU 61 N 0.00 0.00 -0.58 2.98 4.81 -1.99 -3.38 114.58 116.42 2k3m h GLU 61 Ca 0.00 0.00 0.11 0.00 -0.13 0.00 0.00 59.36 59.34 2k3m h GLU 61 Cb 0.59 0.00 -0.11 0.00 0.63 0.00 0.00 28.75 29.86 2k3m h GLU 61 CO 0.00 0.00 -0.27 0.28 -0.73 0.00 0.00 179.01 178.29 2k3m h VAL 62 N 0.00 0.24 -0.16 0.32 2.07 -1.72 0.96 116.25 117.97 2k3m h VAL 62 Ca 0.00 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.47 2k3m h VAL 62 Cb 0.79 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 30.80 2k3m h VAL 62 CO 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 177.57 177.48 2k3m h ALA 63 N 1.20 0.22 -0.18 1.67 0.00 -1.88 3.12 119.26 123.41 2k3m h ALA 63 Ca 0.25 -0.30 0.05 0.00 0.00 0.00 0.00 54.91 54.92 2k3m h ALA 63 Cb 0.52 -0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.19 2k3m h ALA 63 CO -0.66 0.07 -0.34 0.45 0.00 0.00 0.00 179.25 178.77 2k3m h HIS 64 N 0.00 -0.96 -0.01 0.00 -0.00 -1.38 0.11 115.15 112.91 2k3m h HIS 64 Ca 0.03 0.04 -0.02 0.00 -0.00 0.00 0.00 60.37 60.42 2k3m h HIS 64 Cb 0.62 0.45 0.00 0.00 -0.00 0.00 0.00 27.41 28.48 2k3m h HIS 64 CO 0.07 -0.41 -0.08 -0.44 -0.00 0.00 0.00 177.93 177.07 2k3m h ASP 65 N -0.39 0.10 0.00 2.45 5.19 0.92 -2.97 116.42 121.72 2k3m h ASP 65 Ca 0.10 -0.67 0.00 0.00 -0.62 0.00 0.00 57.03 55.84 2k3m h ASP 65 Cb 0.56 -0.03 0.00 0.00 0.18 0.00 0.00 39.33 40.04 2k3m h ASP 65 CO -0.40 0.76 0.00 0.61 -3.12 0.00 0.00 179.24 177.09 2k3m n GLY 66 N 0.74 0.55 0.00 2.75 0.00 1.04 -2.72 105.19 107.54 2k3m n GLY 66 Ca -0.09 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.03 2k3m n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k3m n ARG 67 N 0.75 0.67 -0.33 1.61 5.12 0.37 -3.83 116.66 121.02 2k3m n ARG 67 Ca 0.00 0.00 0.32 0.00 -1.93 0.00 0.00 57.85 56.24 2k3m n ARG 67 Cb 0.13 -1.48 0.58 0.00 -1.16 0.00 0.00 32.46 30.52 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 2k3m n LEU 68 N -0.98 0.31 0.04 0.55 4.77 -1.10 -1.89 117.00 118.69 2k3m n LEU 68 Ca 0.16 1.54 -0.01 0.00 -0.03 0.00 0.00 56.01 57.66 2k3m n LEU 68 Cb 0.07 -0.75 -0.01 0.00 -2.33 0.00 0.00 43.42 40.40 2k3m n LEU 68 CO 0.12 -1.71 0.39 -0.07 -1.33 0.00 0.00 177.39 174.78 2k3m h LEU 69 N 0.00 -0.08 0.00 2.23 4.07 -1.91 -3.05 115.31 116.57 2k3m h LEU 69 Ca 0.82 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.78 2k3m h LEU 69 Cb 2.25 0.02 0.00 0.00 1.08 0.00 0.00 40.66 44.01 2k3m h LEU 69 CO -0.68 -0.05 0.00 0.00 -1.08 0.00 0.00 178.44 176.63 2k3m n ALA 70 N -2.06 -0.01 0.39 1.53 0.00 -0.92 -3.99 120.51 115.46 2k3m n ALA 70 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2k3m n ALA 70 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.49 2k3m n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k3m n ALA 71 N -0.64 1.58 0.00 0.00 0.00 -1.06 -4.55 120.51 115.84 2k3m n ALA 71 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2k3m n ALA 71 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2k3m n ALA 71 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2k3m n HIS 72 N -0.07 0.00 0.18 0.00 -0.00 -0.79 0.31 115.22 114.85 2k3m n HIS 72 Ca 0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 57.72 57.57 2k3m n HIS 72 Cb 0.03 -0.14 -0.08 0.00 -0.00 0.00 0.00 29.99 29.80 2k3m n HIS 72 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2k3m h MET 73 N 0.00 -0.39 -0.73 -1.40 -0.00 -1.85 -3.18 114.93 107.38 2k3m h MET 73 Ca 0.00 0.03 0.14 0.00 -0.00 0.00 0.00 59.70 59.86 2k3m h MET 73 Cb 0.00 0.09 -0.14 0.00 -0.00 0.00 0.00 31.60 31.55 2k3m h MET 73 CO 0.00 -0.22 -0.25 -0.39 -0.00 0.00 0.00 176.91 176.05 2k3m h VAL 74 N -0.46 0.19 0.00 -0.10 -1.51 0.46 0.25 116.25 115.08 2k3m h VAL 74 Ca -0.04 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.43 2k3m h VAL 74 Cb 0.35 0.19 0.00 0.00 -2.13 0.00 0.00 31.29 29.70 2k3m h VAL 74 CO 0.07 0.00 0.72 -3.20 -1.23 0.00 0.00 177.57 173.93 2k3m n ASN 75 N -5.48 0.00 0.21 4.19 5.15 -1.20 0.35 115.26 118.47 2k3m n ASN 75 Ca 0.09 0.30 0.18 0.00 -0.60 0.00 0.00 54.58 54.55 2k3m n ASN 75 Cb 0.38 0.00 0.81 0.00 -0.53 0.00 0.00 39.78 40.44 2k3m n ASN 75 CO 0.00 0.00 0.00 1.23 1.40 0.00 0.00 177.26 179.89 2k3m h GLY 76 N 0.00 0.00 0.11 8.20 0.00 -0.69 -0.67 103.07 110.01 2k3m h GLY 76 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 47.33 47.43 2k3m h GLY 76 CO 0.00 0.00 -0.04 0.16 0.00 0.00 0.00 176.54 176.66 2k3m h ILE 77 N 0.00 0.57 0.00 2.60 3.07 0.57 0.50 117.51 124.82 2k3m h ILE 77 Ca 0.10 -0.03 0.00 0.00 1.55 0.00 0.00 64.86 66.48 2k3m h ILE 77 Cb 0.75 0.48 0.00 0.00 -0.27 0.00 0.00 36.82 37.78 2k3m h ILE 77 CO -0.00 0.01 0.20 0.58 -1.05 0.00 0.00 178.15 177.89 2k3m h VAL 78 N 0.08 0.00 0.06 0.16 2.07 -1.35 0.99 116.25 118.26 2k3m h VAL 78 Ca 0.25 0.00 -0.31 0.00 0.82 0.00 0.00 66.70 67.46 2k3m h VAL 78 Cb 0.39 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2k3m h VAL 78 CO -0.45 0.00 -1.70 2.30 0.02 0.00 0.00 177.57 177.73 2k3m n ILE 79 N -2.92 1.66 0.41 4.57 -6.64 0.16 -3.34 119.36 113.26 2k3m n ILE 79 Ca -0.02 -0.37 0.12 0.00 -1.77 0.00 0.00 62.75 60.71 2k3m n ILE 79 Cb 0.25 -1.87 0.28 0.00 -1.44 0.00 0.00 39.64 36.86 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2k3m h ALA 80 N -0.21 1.00 -0.20 -1.28 0.00 -0.12 -3.19 119.26 115.26 2k3m h ALA 80 Ca -0.40 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k3m h ALA 80 Cb 1.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.49 2k3m h ALA 80 CO -0.06 0.00 0.00 -0.85 0.00 0.00 0.00 179.25 178.34 2k3m n GLU 81 N -2.71 0.00 0.04 0.00 0.28 0.33 -4.76 120.64 113.82 2k3m n GLU 81 Ca 0.05 0.14 0.12 0.00 -0.16 0.00 0.00 57.16 57.30 2k3m n GLU 81 Cb 0.48 -0.61 0.13 0.00 1.43 0.00 0.00 31.44 32.87 2k3m n GLU 81 CO 0.00 0.00 0.00 -3.47 -0.16 0.00 0.00 177.13 173.50 2k3m n ASP 82 N -2.28 0.65 -0.21 -1.84 2.03 -1.25 -4.32 116.55 109.33 2k3m n ASP 82 Ca 0.00 -0.04 0.01 0.00 0.52 0.00 0.00 54.79 55.28 2k3m n ASP 82 Cb 0.00 0.40 0.12 0.00 -0.72 0.00 0.00 41.12 40.92 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k3m h ALA 83 N 2.57 0.76 -1.12 -1.67 0.00 -1.55 0.55 119.26 118.81 2k3m h ALA 83 Ca 0.00 0.12 0.32 0.00 0.00 0.00 0.00 54.91 55.35 2k3m h ALA 83 Cb 0.71 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.60 2k3m h ALA 83 CO 0.00 -0.27 1.21 1.47 0.00 0.00 0.00 179.25 181.66 2k3m n LEU 84 N -5.09 0.00 -0.02 0.00 -0.00 -1.26 0.32 117.00 110.95 2k3m n LEU 84 Ca 0.09 0.76 -0.14 0.00 -0.00 0.00 0.00 56.01 56.73 2k3m n LEU 84 Cb 0.32 -0.28 -0.14 0.00 -0.00 0.00 0.00 43.42 43.32 2k3m n LEU 84 CO 0.18 -0.76 -0.71 0.00 -0.00 0.00 0.00 177.39 176.10 2k3m n ILE 85 N -3.26 1.66 -0.05 1.47 3.06 0.17 -4.22 119.36 118.19 2k3m n ILE 85 Ca 0.25 -0.74 -0.07 0.00 -2.50 0.00 0.00 62.75 59.69 2k3m n ILE 85 Cb 1.55 -1.30 -0.15 0.00 0.54 0.00 0.00 39.64 40.28 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2k3m n ALA 86 N -2.77 1.62 0.26 1.51 0.00 0.70 -4.09 120.51 117.74 2k3m n ALA 86 Ca -0.25 -1.01 0.17 0.00 0.00 0.00 0.00 53.44 52.35 2k3m n ALA 86 Cb 1.05 -0.53 0.85 0.00 0.00 0.00 0.00 19.45 20.83 2k3m n ALA 86 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k3m h GLU 87 N 0.00 0.00 0.00 0.00 9.09 0.49 1.19 114.58 125.35 2k3m h GLU 87 Ca -0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.02 2k3m h GLU 87 Cb 2.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.13 2k3m h GLU 87 CO 0.05 0.00 0.00 0.00 0.05 0.00 0.00 179.01 179.11 2k3m n ALA 88 N -1.93 2.14 -0.47 1.06 0.00 -1.26 -2.74 120.51 117.32 2k3m n ALA 88 Ca -0.02 -0.11 -0.02 0.00 0.00 0.00 0.00 53.44 53.30 2k3m n ALA 88 Cb 0.09 -1.35 0.00 0.00 0.00 0.00 0.00 19.45 18.19 2k3m n ALA 88 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2k3m n VAL 89 N -1.23 2.03 0.13 0.00 0.31 0.41 -4.47 118.33 115.51 2k3m n VAL 89 Ca 0.11 -0.59 0.16 0.00 -0.01 0.00 0.00 64.34 64.01 2k3m n VAL 89 Cb 0.15 -1.46 0.71 0.00 -0.91 0.00 0.00 33.84 32.33 2k3m n VAL 89 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2k3m h GLY 90 N 3.00 0.00 0.00 2.92 0.00 -1.73 -2.33 103.07 104.93 2k3m h GLY 90 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 2k3m h GLY 90 CO 0.08 0.00 0.10 -1.05 0.00 0.00 0.00 176.54 175.67 2k3m n PRO 91 N -4.30 0.00 -0.24 4.80 -0.02 -1.26 -1.50 135.00 132.48 2k3m n PRO 91 Ca 0.04 0.00 0.28 0.00 -2.02 0.00 0.00 63.50 61.80 2k3m n PRO 91 Cb 0.37 -1.48 0.68 0.00 -0.02 0.00 0.00 33.50 33.06 2k3m n PRO 91 CO 0.00 0.00 0.00 1.12 1.98 0.00 0.00 175.50 178.60 2k3m h HIS 92 N 0.00 0.14 0.01 6.00 2.07 -1.81 1.75 115.15 123.31 2k3m h HIS 92 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2k3m h HIS 92 Cb 0.20 -0.04 0.00 0.00 2.57 0.00 0.00 27.41 30.14 2k3m h HIS 92 CO 0.00 0.02 -0.01 1.25 -3.07 0.00 0.00 177.93 176.13 2k3m h LEU 93 N 0.09 -0.01 -0.10 6.12 6.46 -1.58 3.82 115.31 130.11 2k3m h LEU 93 Ca 0.48 -0.05 0.04 0.00 -0.12 0.00 0.00 57.88 58.24 2k3m h LEU 93 Cb 1.76 0.00 -0.06 0.00 -0.73 0.00 0.00 40.66 41.64 2k3m h LEU 93 CO -0.06 0.04 -0.31 0.00 -0.62 0.00 0.00 178.44 177.49 2k3m h ALA 94 N 0.92 -0.38 0.00 1.25 0.00 0.23 0.29 119.26 121.57 2k3m h ALA 94 Ca -0.00 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 94 Cb 0.06 0.58 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k3m h ALA 94 CO 0.00 -0.80 -0.18 0.00 0.00 0.00 0.00 179.25 178.28 2k3m h ARG 95 N -0.41 0.00 -0.84 0.00 -0.00 -0.43 -2.32 114.38 110.38 2k3m h ARG 95 Ca 0.09 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.73 2k3m h ARG 95 Cb 0.54 0.00 -0.10 0.00 0.00 0.00 0.00 29.97 30.41 2k3m h ARG 95 CO -0.32 0.18 0.40 0.00 0.00 0.00 0.00 179.97 180.22 2k3m h ALA 96 N 1.82 1.28 -0.48 0.04 0.00 1.10 0.37 119.26 123.40 2k3m h ALA 96 Ca -0.00 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.16 2k3m h ALA 96 Cb 0.32 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 2k3m h ALA 96 CO 0.02 -0.18 0.89 1.47 0.00 0.00 0.00 179.25 181.45 2k3m n LEU 97 N -4.94 0.00 -0.09 0.00 -0.00 -0.78 0.60 117.00 111.79 2k3m n LEU 97 Ca 0.18 0.51 -0.18 0.00 -0.00 0.00 0.00 56.01 56.51 2k3m n LEU 97 Cb 0.49 -0.12 -0.12 0.00 -0.00 0.00 0.00 43.42 43.67 2k3m n LEU 97 CO 0.18 -0.51 -0.17 1.23 -0.00 0.00 0.00 177.39 178.12 2k3m h GLY 98 N 0.00 0.00 0.28 1.47 0.00 -0.47 -3.24 103.07 101.12 2k3m h GLY 98 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.56 2k3m h GLY 98 CO -0.00 0.00 0.00 -0.18 0.00 0.00 0.00 176.54 176.36 2k3m n GLN 99 N -4.51 0.83 0.24 4.80 7.27 1.63 -3.13 117.38 124.52 2k3m n GLN 99 Ca -0.23 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 56.68 2k3m n GLN 99 Cb 0.59 -1.14 -0.08 0.00 2.41 0.00 0.00 30.24 32.02 2k3m n GLN 99 CO 0.00 0.00 0.00 0.97 0.07 0.00 0.00 177.06 178.10 2k3m h ILE 100 N 0.00 0.42 0.76 1.69 2.10 1.71 2.39 117.51 126.58 2k3m h ILE 100 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 64.86 65.91 2k3m h ILE 100 Cb 0.00 0.42 -0.01 0.00 -1.09 0.00 0.00 36.82 36.14 2k3m h ILE 100 CO 0.00 0.00 -0.50 1.62 -1.08 0.00 0.00 178.15 178.19 2k3m h VAL 101 N -0.67 0.00 -0.47 2.19 3.04 -1.76 1.44 116.25 120.02 2k3m h VAL 101 Ca -0.04 0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.79 2k3m h VAL 101 Cb 0.57 0.00 -0.02 0.00 -2.01 0.00 0.00 31.29 29.83 2k3m h VAL 101 CO 0.02 0.00 0.48 0.00 -1.01 0.00 0.00 177.57 177.06 2k3m h ARG 103 N 0.00 0.03 -0.79 0.00 2.43 0.49 -3.03 114.38 113.51 2k3m h ARG 103 Ca 0.22 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.17 2k3m h ARG 103 Cb 1.18 0.02 -0.11 0.00 -0.42 0.00 0.00 29.97 30.64 2k3m h ARG 103 CO -0.00 1.02 0.23 0.98 -1.51 0.00 0.00 179.97 180.69 2k3m n TYR 104 N -4.43 2.14 0.00 2.20 9.36 0.48 -4.80 117.16 122.11 2k3m n TYR 104 Ca -0.24 -1.05 0.00 0.00 3.32 0.00 0.00 57.90 59.93 2k3m n TYR 104 Cb 0.64 -0.62 0.00 0.00 -0.63 0.00 0.00 39.34 38.73 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2k3m n GLY 105 N -0.06 -0.82 2.47 2.98 0.00 1.59 -4.83 105.19 106.52 2k3m n GLY 105 Ca 0.35 0.57 -0.09 0.00 0.00 0.00 0.00 46.02 46.85 2k3m n GLY 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k3m n ALA 106 N -3.00 -1.45 1.97 4.61 0.00 -0.49 -4.86 120.51 117.30 2k3m n ALA 106 Ca 0.00 0.03 0.06 0.00 0.00 0.00 0.00 53.44 53.53 2k3m n ALA 106 Cb 0.00 -2.73 0.37 0.00 0.00 0.00 0.00 19.45 17.08 2k3m n ALA 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2k3m n THR 107 N -2.64 0.01 -0.07 0.00 -1.04 -1.26 -3.42 114.28 105.86 2k3m n THR 107 Ca -0.10 -0.01 -0.11 0.00 -2.04 0.00 0.00 64.05 61.79 2k3m n THR 107 Cb 0.58 -0.18 -0.08 0.00 -1.82 0.00 0.00 70.33 68.84 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -0.64 0.00 0.00 175.07 174.06 2k3m h VAL 108 N 0.07 0.84 -0.88 12.58 -1.51 -1.97 -3.39 116.25 121.99 2k3m h VAL 108 Ca 0.00 -1.76 0.16 0.00 -1.23 0.00 0.00 66.70 63.87 2k3m h VAL 108 Cb 0.02 1.71 -0.16 0.00 -2.13 0.00 0.00 31.29 30.73 2k3m h VAL 108 CO 0.00 0.28 -0.29 0.40 -1.23 0.00 0.00 177.57 176.73 2k3m h ILE 109 N -1.00 0.08 -0.96 7.19 2.04 -1.96 -2.66 117.51 120.24 2k3m h ILE 109 Ca -0.09 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.94 2k3m h ILE 109 Cb 0.77 0.08 -0.17 0.00 -0.74 0.00 0.00 36.82 36.76 2k3m h ILE 109 CO -0.06 0.00 -0.31 1.55 0.00 0.00 0.00 178.15 179.33 2k3m h PRO 110 N -0.03 -0.01 0.05 2.37 0.13 -1.76 1.68 132.00 134.43 2k3m h PRO 110 Ca 0.38 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.50 2k3m h PRO 110 Cb 0.62 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.76 2k3m h PRO 110 CO -0.91 -0.01 -0.02 -2.95 -0.23 0.00 0.00 178.00 173.88 2k3m h ASN 111 N -0.01 -0.05 -0.99 1.44 -1.07 -1.72 -2.88 115.58 110.30 2k3m h ASN 111 Ca 0.40 0.00 0.29 0.00 0.07 0.00 0.00 56.30 57.06 2k3m h ASN 111 Cb 0.65 0.01 -0.04 0.00 -2.07 0.00 0.00 38.32 36.87 2k3m h ASN 111 CO -0.98 -0.02 0.87 -0.29 0.07 0.00 0.00 177.43 177.09 2k3m h ILE 112 N -0.10 0.27 0.33 6.14 -0.00 -1.55 0.36 117.51 122.95 2k3m h ILE 112 Ca -0.01 0.00 -0.01 0.00 -0.00 0.00 0.00 64.86 64.85 2k3m h ILE 112 Cb 0.05 0.35 -0.01 0.00 -0.00 0.00 0.00 36.82 37.21 2k3m h ILE 112 CO 0.01 0.00 -0.24 -1.13 -0.00 0.00 0.00 178.15 176.79 2k3m h ASN 113 N 0.00 -0.61 -0.47 2.19 -0.00 0.26 0.76 115.58 117.71 2k3m h ASN 113 Ca 0.47 0.04 0.04 0.00 -0.00 0.00 0.00 56.30 56.85 2k3m h ASN 113 Cb 2.21 0.19 -0.03 0.00 -0.00 0.00 0.00 38.32 40.70 2k3m h ASN 113 CO -0.00 -0.37 0.32 0.00 -0.00 0.00 0.00 177.43 177.37 2k3m h ALA 114 N 0.05 1.82 0.01 1.57 0.00 -0.06 0.47 119.26 123.12 2k3m h ALA 114 Ca -0.03 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2k3m h ALA 114 Cb 0.49 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.13 2k3m h ALA 114 CO 0.01 0.12 -0.45 0.00 0.00 0.00 0.00 179.25 178.92 2k3m h ALA 115 N 1.73 0.08 -0.18 0.00 0.00 -1.30 -3.06 119.26 116.52 2k3m h ALA 115 Ca 0.19 -0.73 0.05 0.00 0.00 0.00 0.00 54.91 54.42 2k3m h ALA 115 Cb 0.15 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.11 2k3m h ALA 115 CO -0.05 0.25 -0.32 0.82 0.00 0.00 0.00 179.25 179.95 2k3m h ILE 116 N -0.94 0.28 -0.46 0.00 2.04 0.62 1.88 117.51 120.94 2k3m h ILE 116 Ca -0.12 0.00 0.07 0.00 1.00 0.00 0.00 64.86 65.81 2k3m h ILE 116 Cb 1.15 0.28 -0.09 0.00 -0.74 0.00 0.00 36.82 37.42 2k3m h ILE 116 CO -0.05 0.00 -0.49 1.05 0.00 0.00 0.00 178.15 178.66 2k3m h GLU 117 N -0.37 -0.32 0.23 2.37 4.11 -1.05 1.61 114.58 121.17 2k3m h GLU 117 Ca 0.11 0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.56 2k3m h GLU 117 Cb 0.54 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.85 2k3m h GLU 117 CO -0.39 -0.21 -0.18 0.28 0.07 0.00 0.00 179.01 178.58 2k3m h VAL 118 N -0.33 0.61 0.00 -1.06 2.07 -1.01 0.70 116.25 117.23 2k3m h VAL 118 Ca 0.12 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.64 2k3m h VAL 118 Cb 0.58 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 2k3m h VAL 118 CO -0.62 0.00 0.00 -0.11 0.02 0.00 0.00 177.57 176.86 2k3m n LEU 119 N -5.31 0.00 0.00 2.57 7.94 0.63 -4.22 117.00 118.61 2k3m n LEU 119 Ca -0.09 0.85 0.00 0.00 -1.11 0.00 0.00 56.01 55.66 2k3m n LEU 119 Cb 0.22 -0.35 0.00 0.00 0.53 0.00 0.00 43.42 43.82 2k3m n LEU 119 CO 0.32 -0.35 0.21 0.61 -1.11 0.00 0.00 177.39 177.07 2k3m n GLY 120 N -0.90 -1.34 0.00 -3.96 0.00 0.53 -5.00 105.19 94.53 2k3m n GLY 120 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2k3m n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2k3m n THR 121 N -1.08 0.00 0.00 2.61 -1.04 0.24 -4.81 114.28 110.20 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2k3m n THR 121 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2k3m n GLY 122 N 0.00 2.61 3.46 3.41 0.00 -1.26 -4.85 105.19 108.56 2k3m n GLY 122 Ca 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 2k3m n GLY 122 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 123 N -1.53 0.00 -3.84 2.61 5.66 -1.26 -4.61 114.28 111.31 2k3m n THR 123 Ca 0.00 -0.27 -0.04 0.00 -3.05 0.00 0.00 64.05 60.70 2k3m n THR 123 Cb 0.00 -1.44 0.01 0.00 -1.55 0.00 0.00 70.33 67.35 2k3m n THR 123 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2k3m s ASP 124 N 6.78 -0.04 -0.05 1.09 -4.77 -1.26 -4.93 116.67 113.49 2k3m s ASP 124 Ca 0.75 -0.67 -0.09 0.00 -3.30 0.00 0.00 52.55 49.24 2k3m s ASP 124 Cb -0.14 0.54 0.02 0.00 -1.09 0.00 0.00 42.92 42.25 2k3m s ASP 124 CO 0.17 -1.05 0.23 -0.47 0.70 0.00 0.00 175.17 174.74 2k3m s TYR 125 N -2.45 -0.17 0.01 2.11 5.04 -1.26 -5.10 117.35 115.54 2k3m s TYR 125 Ca 0.19 0.36 -0.15 0.00 -2.44 0.00 0.00 57.07 55.04 2k3m s TYR 125 Cb -0.03 0.05 0.02 0.00 0.35 0.00 0.00 41.96 42.36 2k3m s TYR 125 CO 0.05 -0.22 0.31 0.50 -1.34 0.00 0.00 175.55 174.85 2k3m s ARG 126 N -0.57 0.72 0.00 4.97 3.52 -1.26 -4.95 118.95 121.39 2k3m s ARG 126 Ca -0.07 -0.30 0.06 0.00 -0.13 0.00 0.00 55.73 55.30 2k3m s ARG 126 Cb -0.04 0.32 0.05 0.00 -1.56 0.00 0.00 34.95 33.72 2k3m s ARG 126 CO 0.01 -0.21 0.70 1.97 -0.81 0.00 0.00 175.30 176.96