#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 3.47 0.00 7.83 3.41 -1.26 -4.87 113.62 122.20 2k3m n SER 2 Ca 0.00 -1.99 0.00 0.00 -0.26 0.00 0.00 58.87 56.62 2k3m n SER 2 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2k3m n SER 2 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 2k3m n ASP 3 N 1.17 0.00 -3.75 4.04 2.03 -1.26 -5.18 116.55 113.60 2k3m n ASP 3 Ca 0.19 0.00 -0.13 0.00 0.52 0.00 0.00 54.79 55.36 2k3m n ASP 3 Cb 0.54 0.00 -0.10 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.00 -0.30 -0.05 -0.67 5.36 -1.26 -5.17 117.98 115.88 2k3m s PHE 4 Ca 0.00 0.65 -0.18 0.00 -0.96 0.00 0.00 56.93 56.45 2k3m s PHE 4 Cb 0.00 0.12 0.03 0.00 -0.34 0.00 0.00 43.02 42.84 2k3m s PHE 4 CO 0.00 -0.29 0.40 -0.51 -1.46 0.00 0.00 175.22 173.36 2k3m s ASP 5 N -0.52 -0.32 1.15 6.13 1.01 -1.26 -5.07 116.67 117.79 2k3m s ASP 5 Ca -0.06 0.35 -0.17 0.00 0.71 0.00 0.00 52.55 53.38 2k3m s ASP 5 Cb -0.04 0.47 0.26 0.00 1.01 0.00 0.00 42.92 44.62 2k3m s ASP 5 CO 0.02 -0.41 1.09 -0.89 0.21 0.00 0.00 175.17 175.19 2k3m s THR 6 N -0.98 1.74 0.07 -1.27 2.01 -1.26 -4.40 115.64 111.55 2k3m s THR 6 Ca -0.10 0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.61 2k3m s THR 6 Cb -0.04 -2.44 -0.17 0.00 0.01 0.00 0.00 72.50 69.85 2k3m s THR 6 CO 0.04 0.00 1.63 -0.08 -0.69 0.00 0.00 174.62 175.52 2k3m h GLU 7 N -2.41 -0.50 0.17 4.92 4.81 -2.01 4.06 114.58 123.62 2k3m h GLU 7 Ca -0.49 0.03 0.01 0.00 -0.13 0.00 0.00 59.36 58.78 2k3m h GLU 7 Cb 1.31 0.11 -0.04 0.00 0.63 0.00 0.00 28.75 30.76 2k3m h GLU 7 CO 0.43 -0.31 -0.42 -0.09 -0.73 0.00 0.00 179.01 177.89 2k3m h ARG 8 N -0.55 -0.66 -0.18 1.92 2.43 -1.95 2.99 114.38 118.37 2k3m h ARG 8 Ca -0.05 0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.14 2k3m h ARG 8 Cb 0.42 0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2k3m h ARG 8 CO 0.09 -0.44 0.03 -0.39 -1.51 0.00 0.00 179.97 177.74 2k3m h VAL 9 N -0.69 1.22 0.85 0.20 -1.51 -1.90 1.27 116.25 115.69 2k3m h VAL 9 Ca 0.01 -0.71 -0.04 0.00 -1.23 0.00 0.00 66.70 64.73 2k3m h VAL 9 Cb 0.69 1.35 0.01 0.00 -2.13 0.00 0.00 31.29 31.22 2k3m h VAL 9 CO -0.21 0.22 -0.41 -1.28 -1.23 0.00 0.00 177.57 174.66 2k3m h SER 10 N 0.08 -0.96 0.48 4.19 0.87 0.82 -0.00 113.55 119.02 2k3m h SER 10 Ca 0.05 0.03 -0.02 0.00 -1.23 0.00 0.00 61.79 60.62 2k3m h SER 10 Cb 0.30 0.25 0.00 0.00 -0.44 0.00 0.00 62.40 62.52 2k3m h SER 10 CO 0.00 -0.61 -0.23 -0.09 -0.53 0.00 0.00 176.83 175.37 2k3m h ARG 11 N -1.29 -0.62 -0.35 2.24 9.65 0.54 2.25 114.38 126.79 2k3m h ARG 11 Ca -0.12 0.04 0.08 0.00 -1.10 0.00 0.00 59.98 58.88 2k3m h ARG 11 Cb 0.88 0.14 -0.08 0.00 -1.39 0.00 0.00 29.97 29.52 2k3m h ARG 11 CO 0.19 -0.33 -0.15 0.00 2.80 0.00 0.00 179.97 182.48 2k3m h ALA 12 N -0.49 0.13 0.01 2.80 0.00 0.17 3.17 119.26 125.05 2k3m h ALA 12 Ca -0.07 0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k3m h ALA 12 Cb 0.58 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2k3m h ALA 12 CO 0.11 -0.53 -0.00 0.28 0.00 0.00 0.00 179.25 179.11 2k3m h VAL 13 N -0.09 1.06 0.79 0.00 2.07 -0.93 1.19 116.25 120.34 2k3m h VAL 13 Ca 0.18 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 2k3m h VAL 13 Cb 0.36 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2k3m h VAL 13 CO -0.41 0.05 -0.44 0.00 0.02 0.00 0.00 177.57 176.79 2k3m h ALA 14 N 0.90 -1.27 0.12 1.67 0.00 0.60 2.92 119.26 124.20 2k3m h ALA 14 Ca -0.00 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.69 2k3m h ALA 14 Cb 0.09 0.53 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2k3m h ALA 14 CO 0.00 -1.22 -0.39 0.00 0.00 0.00 0.00 179.25 177.64 2k3m h ALA 15 N -1.33 -0.69 0.29 0.00 0.00 0.57 2.21 119.26 120.32 2k3m h ALA 15 Ca -0.11 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2k3m h ALA 15 Cb 0.90 0.66 0.00 0.00 0.00 0.00 0.00 17.79 19.35 2k3m h ALA 15 CO 0.14 -0.95 -0.14 0.00 0.00 0.00 0.00 179.25 178.29 2k3m h ALA 16 N -0.10 -0.39 0.11 0.00 0.00 0.15 2.76 119.26 121.78 2k3m h ALA 16 Ca 0.02 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k3m h ALA 16 Cb 0.66 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2k3m h ALA 16 CO -0.23 -0.67 -0.17 1.25 0.00 0.00 0.00 179.25 179.44 2k3m h LEU 17 N -0.50 -0.46 0.36 0.00 5.85 0.56 1.13 115.31 122.24 2k3m h LEU 17 Ca -0.04 0.05 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 2k3m h LEU 17 Cb 0.37 0.17 0.00 0.00 0.37 0.00 0.00 40.66 41.58 2k3m h LEU 17 CO 0.07 -0.24 -0.17 -0.37 -0.34 0.00 0.00 178.44 177.38 2k3m h VAL 18 N -0.33 0.52 -1.14 1.05 -1.51 0.38 -3.37 116.25 111.84 2k3m h VAL 18 Ca 0.02 -0.66 0.00 0.00 -1.23 0.00 0.00 66.70 64.83 2k3m h VAL 18 Cb 0.35 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 30.29 2k3m h VAL 18 CO -0.09 0.10 0.00 0.61 -1.23 0.00 0.00 177.57 176.97 2k3m n GLY 19 N -0.09 -3.23 0.16 5.19 0.00 0.92 -4.89 105.19 103.25 2k3m n GLY 19 Ca -0.09 -1.31 0.05 0.00 0.00 0.00 0.00 46.02 44.67 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 0.85 1.61 0.14 -1.77 -3.31 132.00 129.51 2k3m h PRO 20 Ca 0.00 0.00 -0.04 0.00 0.14 0.00 0.00 66.00 66.10 2k3m h PRO 20 Cb 0.00 0.00 0.01 0.00 0.14 0.00 0.00 31.00 31.15 2k3m h PRO 20 CO 0.00 0.38 -0.42 0.78 0.14 0.00 0.00 178.00 178.87 2k3m h GLY 21 N 3.51 -1.22 0.98 1.56 0.00 -1.82 3.28 103.07 109.35 2k3m h GLY 21 Ca -0.00 0.46 -0.01 0.00 0.00 0.00 0.00 47.33 47.78 2k3m h GLY 21 CO 0.05 -0.44 -0.09 -1.33 0.00 0.00 0.00 176.54 174.73 2k3m h GLY 22 N -1.16 -0.24 1.19 4.60 0.00 0.11 -0.18 103.07 107.39 2k3m h GLY 22 Ca -0.12 0.10 0.05 0.00 0.00 0.00 0.00 47.33 47.36 2k3m h GLY 22 CO 0.18 -0.09 0.43 -2.08 0.00 0.00 0.00 176.54 174.98 2k3m h VAL 23 N -0.24 1.05 0.88 4.60 2.07 -1.37 0.11 116.25 123.35 2k3m h VAL 23 Ca -0.02 -0.25 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 2k3m h VAL 23 Cb 0.19 0.27 0.01 0.00 -1.52 0.00 0.00 31.29 30.24 2k3m h VAL 23 CO 0.03 0.13 -0.42 0.00 0.02 0.00 0.00 177.57 177.33 2k3m h ALA 24 N 1.63 -1.22 -0.35 1.67 0.00 0.76 -0.86 119.26 120.90 2k3m h ALA 24 Ca 0.27 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 24 Cb 0.16 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k3m h ALA 24 CO -0.08 -1.14 0.06 -0.07 0.00 0.00 0.00 179.25 178.03 2k3m h LEU 25 N -1.27 0.55 0.80 0.00 4.07 -0.82 -0.99 115.31 117.64 2k3m h LEU 25 Ca -0.12 -0.25 -0.04 0.00 0.08 0.00 0.00 57.88 57.55 2k3m h LEU 25 Cb 0.90 -0.14 0.01 0.00 1.08 0.00 0.00 40.66 42.51 2k3m h LEU 25 CO 0.20 0.66 -0.38 0.58 -1.08 0.00 0.00 178.44 178.41 2k3m h VAL 26 N 0.41 0.13 -0.53 1.22 2.07 -0.85 -0.02 116.25 118.68 2k3m h VAL 26 Ca 0.11 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.50 2k3m h VAL 26 Cb 0.34 0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 30.24 2k3m h VAL 26 CO 0.01 0.01 0.33 1.62 0.02 0.00 0.00 177.57 179.56 2k3m h VAL 27 N -1.18 1.14 0.28 2.57 3.04 -1.22 0.73 116.25 121.61 2k3m h VAL 27 Ca -0.11 -0.29 -0.01 0.00 -1.01 0.00 0.00 66.70 65.28 2k3m h VAL 27 Cb 0.84 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.50 2k3m h VAL 27 CO 0.18 0.14 -0.14 0.50 -1.01 0.00 0.00 177.57 177.25 2k3m h LYS 28 N 0.72 -0.37 -0.39 4.17 3.11 -1.09 0.14 116.57 122.86 2k3m h LYS 28 Ca 0.19 0.02 -0.02 0.00 -2.81 0.00 0.00 60.65 58.04 2k3m h LYS 28 Cb -0.06 0.08 -0.02 0.00 -1.00 0.00 0.00 32.23 31.24 2k3m h LYS 28 CO -0.04 -0.03 0.16 -0.24 -2.81 0.00 0.00 179.45 176.49 2k3m h VAL 29 N -0.77 1.19 0.63 2.00 3.04 -0.85 0.44 116.25 121.92 2k3m h VAL 29 Ca -0.04 -0.58 -0.03 0.00 -1.01 0.00 0.00 66.70 65.04 2k3m h VAL 29 Cb 0.50 0.85 0.01 0.00 -2.01 0.00 0.00 31.29 30.64 2k3m h VAL 29 CO 0.06 0.21 -0.30 0.00 -1.01 0.00 0.00 177.57 176.53 2k3m h ALA 31 N -1.32 -0.30 -2.25 0.00 0.00 -0.75 -3.49 119.26 111.15 2k3m h ALA 31 Ca -0.09 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k3m h ALA 31 Cb 0.65 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.56 2k3m h ALA 31 CO 0.14 -0.55 0.00 0.41 0.00 0.00 0.00 179.25 179.25 2k3m n GLY 32 N -0.58 -0.16 1.04 0.00 0.00 0.15 -4.95 105.19 100.70 2k3m n GLY 32 Ca -0.09 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.63 2k3m n GLY 32 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k3m n LEU 33 N -0.58 -1.39 0.20 0.99 4.77 -1.25 -4.95 117.00 114.78 2k3m n LEU 33 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 2k3m n LEU 33 Cb 0.21 -0.70 0.43 0.00 -2.33 0.00 0.00 43.42 41.03 2k3m n LEU 33 CO 0.00 0.00 0.76 1.55 -1.33 0.00 0.00 177.39 178.37 2k3m h PRO 34 N 0.00 0.00 0.80 3.23 0.13 -1.91 -3.29 132.00 130.95 2k3m h PRO 34 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 65.09 2k3m h PRO 34 Cb 0.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.14 2k3m h PRO 34 CO 0.00 0.32 -0.38 0.78 -0.23 0.00 0.00 178.00 178.49 2k3m h GLY 35 N 1.34 -1.12 -2.02 1.56 0.00 -2.02 -3.43 103.07 97.39 2k3m h GLY 35 Ca -0.00 0.41 -0.48 0.00 0.00 0.00 0.00 47.33 47.26 2k3m h GLY 35 CO 0.04 -0.41 0.06 0.54 0.00 0.00 0.00 176.54 176.77 2k3m s VAL 36 N -5.56 4.43 0.00 4.60 0.11 -1.24 -5.00 120.40 117.74 2k3m s VAL 36 Ca -0.17 -0.05 0.00 0.00 -2.93 0.00 0.00 61.98 58.82 2k3m s VAL 36 Cb 0.02 -3.68 0.00 0.00 -1.53 0.00 0.00 36.38 31.19 2k3m s VAL 36 CO 0.55 -0.62 0.00 0.00 -3.33 0.00 0.00 175.10 171.70 2k3m n ILE 37 N -2.26 0.00 -3.79 7.04 0.00 -1.26 -4.79 119.36 114.30 2k3m n ILE 37 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 62.75 62.63 2k3m n ILE 37 Cb 0.56 0.00 -0.14 0.00 0.00 0.00 0.00 39.64 40.06 2k3m n ILE 37 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 176.55 175.55 2k3m s HIS 38 N 0.00 -0.08 -0.11 9.51 3.76 -1.26 -5.09 115.29 122.01 2k3m s HIS 38 Ca 0.00 0.29 -0.01 0.00 -0.15 0.00 0.00 55.06 55.19 2k3m s HIS 38 Cb 0.00 -0.08 -0.03 0.00 1.11 0.00 0.00 32.58 33.58 2k3m s HIS 38 CO 0.00 -0.10 -0.06 0.99 -0.85 0.00 0.00 174.74 174.72 2k3m s THR 39 N 0.72 3.69 0.00 1.30 2.01 -1.26 -5.08 115.64 117.02 2k3m s THR 39 Ca -0.06 -0.46 0.00 0.00 0.31 0.00 0.00 61.69 61.49 2k3m s THR 39 Cb -0.08 -2.56 0.00 0.00 0.01 0.00 0.00 72.50 69.88 2k3m s THR 39 CO -0.03 0.55 0.15 -0.81 -0.69 0.00 0.00 174.62 173.79 2k3m n PRO 40 N 2.89 0.00 -1.98 4.92 -0.04 -1.26 -4.70 135.00 134.83 2k3m n PRO 40 Ca -0.18 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 62.86 2k3m n PRO 40 Cb 0.53 -0.56 -0.03 0.00 -0.04 0.00 0.00 33.50 33.40 2k3m n PRO 40 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2k3m s ALA 41 N -2.64 3.63 0.04 0.55 0.00 -1.26 -4.91 121.76 117.18 2k3m s ALA 41 Ca 0.00 1.04 -0.28 0.00 0.00 0.00 0.00 51.96 52.72 2k3m s ALA 41 Cb 0.00 -3.73 0.09 0.00 0.00 0.00 0.00 23.12 19.49 2k3m s ALA 41 CO 0.00 -1.28 1.02 -0.98 0.00 0.00 0.00 175.76 174.52 2k3m s ARG 42 N 3.52 0.86 0.00 0.00 1.70 -1.26 -4.98 118.95 118.80 2k3m s ARG 42 Ca 0.74 -0.43 0.00 0.00 -0.47 0.00 0.00 55.73 55.57 2k3m s ARG 42 Cb -0.36 0.33 0.00 0.00 -0.57 0.00 0.00 34.95 34.35 2k3m s ARG 42 CO 0.31 -0.39 0.20 2.89 -1.08 0.00 0.00 175.30 177.23 2k3m n ARG 43 N -0.37 0.27 0.00 3.89 -4.01 -1.26 -4.65 116.66 110.52 2k3m n ARG 43 Ca -0.07 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.74 2k3m n ARG 43 Cb 0.61 -1.25 0.00 0.00 -3.04 0.00 0.00 32.46 28.78 2k3m n ARG 43 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2k3m n GLY 44 N 0.62 2.29 3.63 2.89 0.00 -1.26 -4.86 105.19 108.50 2k3m n GLY 44 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.42 -0.32 0.00 1.61 2.19 -1.26 -5.12 117.98 114.65 2k3m s PHE 45 Ca 0.00 0.04 0.00 0.00 0.33 0.00 0.00 56.93 57.30 2k3m s PHE 45 Cb 0.00 0.61 0.00 0.00 -1.31 0.00 0.00 43.02 42.32 2k3m s PHE 45 CO 0.00 -0.89 0.00 0.34 1.83 0.00 0.00 175.22 176.50 2k3m n PHE 46 N -0.39 0.00 0.00 10.12 7.35 -1.26 -5.09 117.46 128.18 2k3m n PHE 46 Ca -0.09 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.60 2k3m n PHE 46 Cb 0.62 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.45 2k3m n PHE 46 CO 0.00 0.00 0.00 -2.13 -0.76 0.00 0.00 176.76 173.87 2k3m n ARG 47 N 0.00 0.00 -2.25 -4.13 0.00 -1.26 -5.09 116.66 103.94 2k3m n ARG 47 Ca 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2k3m n ARG 47 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2k3m n ARG 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2k3m s ASN 49 N -2.42 0.80 -0.51 0.00 0.01 -1.26 -5.05 114.94 106.52 2k3m s ASN 49 Ca 0.01 -0.13 -0.23 0.00 -0.71 0.00 0.00 52.86 51.80 2k3m s ASN 49 Cb -0.00 -0.09 -0.22 0.00 0.41 0.00 0.00 41.25 41.35 2k3m s ASN 49 CO 0.36 0.08 1.80 -0.81 -1.51 0.00 0.00 177.10 177.03 2k3m n PRO 50 N 2.89 1.01 -0.05 -0.60 -0.04 -1.26 -4.20 135.00 132.75 2k3m n PRO 50 Ca -0.13 -1.52 0.00 0.00 -0.04 0.00 0.00 63.50 61.81 2k3m n PRO 50 Cb 0.58 -2.73 0.00 0.00 -0.04 0.00 0.00 33.50 31.30 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 7.12 0.00 -1.65 0.54 4.71 -1.26 -4.94 120.64 125.16 2k3m n GLU 51 Ca 0.47 0.00 -0.29 0.00 -0.01 0.00 0.00 57.16 57.33 2k3m n GLU 51 Cb 0.38 -3.60 0.11 0.00 -1.01 0.00 0.00 31.44 27.33 2k3m n GLU 51 CO 0.00 0.00 0.00 -0.98 0.09 0.00 0.00 177.13 176.24 2k3m s ARG 52 N -0.07 1.58 0.12 3.49 1.70 -1.26 -5.01 118.95 119.51 2k3m s ARG 52 Ca 0.00 0.30 -0.28 0.00 -0.47 0.00 0.00 55.73 55.27 2k3m s ARG 52 Cb 0.00 -1.89 -0.06 0.00 -0.57 0.00 0.00 34.95 32.43 2k3m s ARG 52 CO 0.00 -1.89 0.90 0.96 -1.08 0.00 0.00 175.30 174.18 2k3m s ILE 53 N -3.35 4.48 -1.01 4.99 -4.36 -1.26 -4.86 121.20 115.84 2k3m s ILE 53 Ca 0.63 1.94 -0.26 0.00 -0.26 0.00 0.00 60.65 62.70 2k3m s ILE 53 Cb -0.14 -4.26 -0.19 0.00 1.25 0.00 0.00 42.46 39.12 2k3m s ILE 53 CO 0.52 0.37 2.17 0.00 0.24 0.00 0.00 174.94 178.25 2k3m s GLN 54 N -0.27 1.41 0.09 0.37 0.00 -1.26 -4.80 119.66 115.20 2k3m s GLN 54 Ca 0.43 -0.24 -0.13 0.00 -0.00 0.00 0.00 55.36 55.42 2k3m s GLN 54 Cb -0.23 -4.95 0.02 0.00 0.00 0.00 0.00 33.01 27.85 2k3m s GLN 54 CO 0.28 -5.08 0.30 -1.50 0.00 0.00 0.00 175.29 169.30 2k3m s ILE 55 N 15.88 0.10 0.00 3.63 2.07 -1.26 -4.93 121.20 136.68 2k3m s ILE 55 Ca 0.83 -0.81 0.00 0.00 -1.41 0.00 0.00 60.65 59.26 2k3m s ILE 55 Cb -0.07 -1.17 0.00 0.00 0.13 0.00 0.00 42.46 41.35 2k3m s ILE 55 CO 0.15 -0.45 0.00 0.61 -1.91 0.00 0.00 174.94 173.34 2k3m n GLY 56 N 0.03 0.63 3.57 1.50 0.00 -1.26 -5.05 105.19 104.60 2k3m n GLY 56 Ca -0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.94 6.21 0.68 1.61 -4.77 -1.26 -5.00 116.67 112.21 2k3m s ASP 57 Ca 0.00 -0.02 -0.03 0.00 -3.30 0.00 0.00 52.55 49.20 2k3m s ASP 57 Cb 0.00 -2.55 0.08 0.00 -1.09 0.00 0.00 42.92 39.36 2k3m s ASP 57 CO 0.00 -1.70 0.95 0.26 0.70 0.00 0.00 175.17 175.38 2k3m s TRP 58 N 5.70 2.36 -0.05 2.11 0.51 -1.26 -5.05 118.94 123.25 2k3m s TRP 58 Ca 0.44 0.04 -0.10 0.00 -2.12 0.00 0.00 56.10 54.36 2k3m s TRP 58 Cb -0.09 -3.05 -0.06 0.00 -0.81 0.00 0.00 33.47 29.47 2k3m s TRP 58 CO 0.22 -1.43 0.45 0.00 -0.51 0.00 0.00 176.95 175.68 2k3m h ARG 59 N -0.43 -0.35 -0.00 4.98 -0.00 -1.99 -3.36 114.38 113.22 2k3m h ARG 59 Ca -0.41 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.09 2k3m h ARG 59 Cb 1.29 0.08 0.00 0.00 0.00 0.00 0.00 29.97 31.34 2k3m h ARG 59 CO 0.49 -0.23 -0.54 0.98 0.00 0.00 0.00 179.97 180.67 2k3m n TYR 60 N -4.73 0.00 0.42 3.04 9.36 -1.26 -4.10 117.16 119.89 2k3m n TYR 60 Ca -0.05 0.00 0.13 0.00 3.32 0.00 0.00 57.90 61.30 2k3m n TYR 60 Cb 0.14 -0.17 0.32 0.00 -0.63 0.00 0.00 39.34 39.00 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 0.31 0.00 -0.34 2.98 4.22 -1.98 -3.35 114.58 116.42 2k3m h GLU 61 Ca 0.00 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.51 2k3m h GLU 61 Cb 0.51 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.68 2k3m h GLU 61 CO 0.00 0.00 -0.32 -0.39 -2.18 0.00 0.00 179.01 176.12 2k3m h VAL 62 N 0.00 0.25 -0.01 0.32 -1.51 -1.71 1.35 116.25 114.94 2k3m h VAL 62 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2k3m h VAL 62 Cb 0.83 0.25 -0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2k3m h VAL 62 CO 0.00 0.00 -0.01 0.00 -1.23 0.00 0.00 177.57 176.33 2k3m h ALA 63 N 0.70 0.02 -0.15 5.19 0.00 -1.86 4.13 119.26 127.28 2k3m h ALA 63 Ca 0.16 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k3m h ALA 63 Cb 0.53 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2k3m h ALA 63 CO -0.50 -0.25 -0.40 1.25 0.00 0.00 0.00 179.25 179.36 2k3m h HIS 64 N -0.41 -1.13 -0.03 0.00 6.17 -1.53 1.14 115.15 119.35 2k3m h HIS 64 Ca 0.00 0.05 -0.09 0.00 0.71 0.00 0.00 60.37 61.04 2k3m h HIS 64 Cb 0.46 0.52 0.01 0.00 2.52 0.00 0.00 27.41 30.92 2k3m h HIS 64 CO 0.08 -0.46 -0.32 0.22 0.71 0.00 0.00 177.93 178.16 2k3m h ASP 65 N -0.46 0.33 0.00 3.26 3.58 0.18 -2.89 116.42 120.42 2k3m h ASP 65 Ca 0.09 -0.72 0.00 0.00 0.42 0.00 0.00 57.03 56.82 2k3m h ASP 65 Cb 0.61 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.56 2k3m h ASP 65 CO -0.40 1.00 0.00 0.61 -2.88 0.00 0.00 179.24 177.57 2k3m n GLY 66 N 0.89 1.14 0.00 -0.78 0.00 1.36 -3.05 105.19 104.75 2k3m n GLY 66 Ca -0.09 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.97 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 0.44 0.62 -0.37 1.61 1.74 0.39 -4.04 116.66 117.06 2k3m n ARG 67 Ca 0.00 0.00 0.30 0.00 -0.77 0.00 0.00 57.85 57.38 2k3m n ARG 67 Cb 0.25 -1.19 0.46 0.00 -1.02 0.00 0.00 32.46 30.96 2k3m n ARG 67 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2k3m n LEU 68 N -0.69 0.00 0.26 0.55 4.32 -1.17 0.21 117.00 120.48 2k3m n LEU 68 Ca 0.06 0.60 -0.10 0.00 -0.02 0.00 0.00 56.01 56.55 2k3m n LEU 68 Cb 0.03 -0.28 -0.05 0.00 -1.62 0.00 0.00 43.42 41.50 2k3m n LEU 68 CO 0.04 -0.60 0.45 0.25 -1.22 0.00 0.00 177.39 176.31 2k3m h LEU 69 N 0.00 -0.57 0.00 2.23 6.46 -1.92 -0.66 115.31 120.86 2k3m h LEU 69 Ca 0.53 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 58.31 2k3m h LEU 69 Cb 2.32 0.15 0.00 0.00 -0.73 0.00 0.00 40.66 42.40 2k3m h LEU 69 CO -0.01 -0.37 0.00 0.00 -0.62 0.00 0.00 178.44 177.45 2k3m n ALA 70 N -2.39 -0.02 0.00 1.25 0.00 0.57 -3.79 120.51 116.13 2k3m n ALA 70 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 2k3m n ALA 70 Cb 0.26 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.71 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 -1.33 0.31 -0.09 0.00 0.00 0.85 -4.17 120.51 116.07 2k3m n ALA 71 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 2k3m n ALA 71 Cb 0.00 -0.21 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 2k3m n ALA 71 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 2k3m n HIS 72 N -0.45 -0.10 0.01 0.00 -0.00 -0.25 0.67 115.22 115.09 2k3m n HIS 72 Ca 0.00 0.28 -0.13 0.00 -0.00 0.00 0.00 57.72 57.87 2k3m n HIS 72 Cb 0.00 -0.38 -0.10 0.00 -0.00 0.00 0.00 29.99 29.51 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 -0.05 -0.96 1.57 -0.00 -1.84 -3.22 114.93 110.43 2k3m h MET 73 Ca 0.04 0.00 0.29 0.00 -0.00 0.00 0.00 59.70 60.03 2k3m h MET 73 Cb 0.09 0.01 -0.15 0.00 -0.00 0.00 0.00 31.60 31.55 2k3m h MET 73 CO -0.21 0.42 0.43 0.28 -0.00 0.00 0.00 176.91 177.83 2k3m h VAL 74 N -0.53 0.29 0.00 -0.10 2.07 -0.16 -0.51 116.25 117.31 2k3m h VAL 74 Ca -0.01 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.42 2k3m h VAL 74 Cb 0.49 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 2k3m h VAL 74 CO 0.01 0.05 0.57 -3.20 0.02 0.00 0.00 177.57 175.02 2k3m n ASN 75 N -5.13 0.00 -0.16 0.57 5.15 0.21 -1.19 115.26 114.71 2k3m n ASN 75 Ca 0.28 0.15 0.28 0.00 -0.60 0.00 0.00 54.58 54.69 2k3m n ASN 75 Cb 0.87 0.00 0.58 0.00 -0.53 0.00 0.00 39.78 40.70 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 0.66 8.20 0.00 -1.32 2.23 103.07 112.84 2k3m h GLY 76 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2k3m h GLY 76 CO 0.00 0.00 -0.06 0.16 0.00 0.00 0.00 176.54 176.64 2k3m h ILE 77 N 0.00 1.34 -0.93 2.60 -2.65 -1.44 -0.59 117.51 115.84 2k3m h ILE 77 Ca 0.44 -1.14 0.32 0.00 1.03 0.00 0.00 64.86 65.50 2k3m h ILE 77 Cb 2.38 1.92 -0.09 0.00 -2.05 0.00 0.00 36.82 38.99 2k3m h ILE 77 CO -0.00 0.32 0.60 0.52 0.03 0.00 0.00 178.15 179.62 2k3m n VAL 78 N -4.72 -0.15 -0.07 0.16 0.31 0.75 0.37 118.33 114.98 2k3m n VAL 78 Ca -0.07 1.16 -0.07 0.00 -0.01 0.00 0.00 64.34 65.35 2k3m n VAL 78 Cb 0.29 -1.90 -0.16 0.00 -0.91 0.00 0.00 33.84 31.16 2k3m n VAL 78 CO 0.00 0.00 0.00 2.30 -1.32 0.00 0.00 176.83 177.81 2k3m n ILE 79 N -3.92 1.21 0.68 2.52 -5.35 -1.14 -4.38 119.36 108.98 2k3m n ILE 79 Ca 0.26 -0.80 0.12 0.00 -0.27 0.00 0.00 62.75 62.07 2k3m n ILE 79 Cb 1.04 -0.46 0.25 0.00 -1.74 0.00 0.00 39.64 38.73 2k3m n ILE 79 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m n ALA 80 N -2.65 2.88 -0.00 -1.28 0.00 1.20 -2.19 120.51 118.47 2k3m n ALA 80 Ca -0.26 -0.22 -0.00 0.00 0.00 0.00 0.00 53.44 52.96 2k3m n ALA 80 Cb 1.05 -1.23 -0.00 0.00 0.00 0.00 0.00 19.45 19.27 2k3m n ALA 80 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2k3m h GLU 81 N 0.00 0.00 0.00 0.00 4.11 0.44 -3.37 114.58 115.77 2k3m h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2k3m h GLU 81 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k3m h GLU 81 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.83 2k3m n ASP 82 N -2.27 0.13 0.00 3.06 8.00 -1.26 -4.19 116.55 120.01 2k3m n ASP 82 Ca -0.00 0.52 0.00 0.00 0.71 0.00 0.00 54.79 56.02 2k3m n ASP 82 Cb 0.01 -0.55 0.00 0.00 -0.02 0.00 0.00 41.12 40.56 2k3m n ASP 82 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2k3m n ALA 83 N -1.55 0.00 -0.34 2.24 0.00 -0.93 -0.75 120.51 119.19 2k3m n ALA 83 Ca 0.05 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.76 2k3m n ALA 83 Cb 0.28 0.00 0.43 0.00 0.00 0.00 0.00 19.45 20.16 2k3m n ALA 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2k3m n LEU 84 N -3.41 0.07 -0.12 0.00 7.94 -1.26 0.36 117.00 120.58 2k3m n LEU 84 Ca 0.00 0.72 -0.15 0.00 -1.11 0.00 0.00 56.01 55.46 2k3m n LEU 84 Cb 0.00 -0.35 -0.13 0.00 0.53 0.00 0.00 43.42 43.47 2k3m n LEU 84 CO 0.00 -0.76 -1.28 2.30 -1.11 0.00 0.00 177.39 176.54 2k3m n ILE 85 N -3.55 1.42 0.34 1.96 -5.35 0.07 -3.76 119.36 110.50 2k3m n ILE 85 Ca 0.25 -0.63 -0.14 0.00 -0.27 0.00 0.00 62.75 61.95 2k3m n ILE 85 Cb 1.03 -1.14 -0.07 0.00 -1.74 0.00 0.00 39.64 37.73 2k3m n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2k3m h ALA 86 N 0.27 -0.89 0.00 -1.28 0.00 0.61 0.11 119.26 118.09 2k3m h ALA 86 Ca -0.56 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.15 2k3m h ALA 86 Cb 1.97 0.34 0.00 0.00 0.00 0.00 0.00 17.79 20.11 2k3m h ALA 86 CO -0.05 -0.84 0.00 1.05 0.00 0.00 0.00 179.25 179.40 2k3m h GLU 87 N -1.20 0.00 0.00 0.00 4.11 0.52 -1.35 114.58 116.65 2k3m h GLU 87 Ca -0.09 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.34 2k3m h GLU 87 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k3m h GLU 87 CO 0.15 0.00 -0.57 0.00 0.07 0.00 0.00 179.01 178.66 2k3m n ALA 88 N -1.99 3.10 -0.98 1.06 0.00 -1.19 -3.62 120.51 116.88 2k3m n ALA 88 Ca 0.01 -0.28 -0.21 0.00 0.00 0.00 0.00 53.44 52.96 2k3m n ALA 88 Cb 0.27 -1.16 0.05 0.00 0.00 0.00 0.00 19.45 18.60 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 -1.88 2.98 0.21 0.00 0.31 0.39 -4.49 118.33 115.84 2k3m n VAL 89 Ca 0.04 -1.96 0.05 0.00 -0.01 0.00 0.00 64.34 62.46 2k3m n VAL 89 Cb 0.40 -1.27 0.47 0.00 -0.91 0.00 0.00 33.84 32.53 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 2.38 0.02 0.02 2.92 0.00 -1.68 -2.38 103.07 104.35 2k3m h GLY 90 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.69 2k3m h GLY 90 CO 0.97 0.01 0.29 -1.05 0.00 0.00 0.00 176.54 176.75 2k3m n PRO 91 N -4.29 0.00 0.06 4.80 -0.02 -1.26 -1.09 135.00 133.20 2k3m n PRO 91 Ca -0.02 0.00 0.21 0.00 -2.02 0.00 0.00 63.50 61.67 2k3m n PRO 91 Cb 0.27 -1.79 0.63 0.00 -0.02 0.00 0.00 33.50 32.60 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 0.00 0.35 6.00 2.07 -1.82 2.40 115.15 124.15 2k3m h HIS 92 Ca 0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 2k3m h HIS 92 Cb 0.57 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.55 2k3m h HIS 92 CO 0.00 0.00 -0.17 1.37 -3.07 0.00 0.00 177.93 176.06 2k3m h LEU 93 N 0.00 -0.39 -0.27 6.12 8.10 -1.41 3.31 115.31 130.76 2k3m h LEU 93 Ca 0.24 -0.00 0.06 0.00 0.11 0.00 0.00 57.88 58.29 2k3m h LEU 93 Cb 1.57 0.10 -0.07 0.00 -0.44 0.00 0.00 40.66 41.82 2k3m h LEU 93 CO -0.00 -0.26 -0.25 0.00 -4.11 0.00 0.00 178.44 173.82 2k3m h ALA 94 N 0.16 -0.12 0.00 0.17 0.00 0.38 0.71 119.26 120.56 2k3m h ALA 94 Ca -0.05 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 2k3m h ALA 94 Cb 0.37 0.52 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 2k3m h ALA 94 CO 0.08 -0.67 -0.08 0.00 0.00 0.00 0.00 179.25 178.58 2k3m h ARG 95 N -0.24 0.00 -0.99 0.00 2.47 -0.73 -2.17 114.38 112.71 2k3m h ARG 95 Ca 0.14 0.00 0.23 0.00 -1.26 0.00 0.00 59.98 59.09 2k3m h ARG 95 Cb 0.46 0.00 -0.09 0.00 -1.65 0.00 0.00 29.97 28.70 2k3m h ARG 95 CO -0.41 0.08 0.64 0.00 0.56 0.00 0.00 179.97 180.84 2k3m h ALA 96 N 1.92 2.11 -0.58 0.04 0.00 1.25 0.41 119.26 124.40 2k3m h ALA 96 Ca -0.00 0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.13 2k3m h ALA 96 Cb 0.16 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 2k3m h ALA 96 CO 0.01 -0.47 0.88 1.28 0.00 0.00 0.00 179.25 180.95 2k3m n LEU 97 N -4.62 0.00 -0.09 0.00 7.99 -0.82 0.80 117.00 120.26 2k3m n LEU 97 Ca 0.23 0.52 -0.16 0.00 -0.01 0.00 0.00 56.01 56.59 2k3m n LEU 97 Cb 0.76 -0.15 -0.09 0.00 -0.11 0.00 0.00 43.42 43.84 2k3m n LEU 97 CO 0.26 -0.52 -0.39 1.23 -1.51 0.00 0.00 177.39 176.46 2k3m h GLY 98 N 0.00 0.00 0.29 -0.72 0.00 -1.16 -3.28 103.07 98.20 2k3m h GLY 98 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 2k3m h GLY 98 CO -0.00 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.48 2k3m n GLN 99 N -4.51 0.85 0.19 4.80 3.00 1.05 -3.00 117.38 119.76 2k3m n GLN 99 Ca -0.23 0.00 -0.15 0.00 -0.01 0.00 0.00 57.00 56.62 2k3m n GLN 99 Cb 0.53 -1.15 -0.08 0.00 0.00 0.00 0.00 30.24 29.54 2k3m n GLN 99 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.06 177.88 2k3m h ILE 100 N 0.00 0.71 -0.06 5.09 1.08 3.12 1.40 117.51 128.84 2k3m h ILE 100 Ca 0.00 -0.02 0.02 0.00 -0.39 0.00 0.00 64.86 64.47 2k3m h ILE 100 Cb 0.00 0.72 -0.06 0.00 -3.07 0.00 0.00 36.82 34.41 2k3m h ILE 100 CO 0.00 0.00 -0.52 0.58 -0.69 0.00 0.00 178.15 177.52 2k3m h VAL 101 N -0.42 0.00 -0.98 1.67 2.07 -1.75 2.22 116.25 119.06 2k3m h VAL 101 Ca -0.04 0.00 0.28 0.00 0.82 0.00 0.00 66.70 67.76 2k3m h VAL 101 Cb 0.32 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2k3m h VAL 101 CO 0.07 0.00 0.70 0.00 0.02 0.00 0.00 177.57 178.36 2k3m h ARG 103 N 0.03 0.00 -0.75 0.00 1.12 0.69 -2.87 114.38 112.60 2k3m h ARG 103 Ca 0.47 0.00 -0.06 0.00 -1.11 0.00 0.00 59.98 59.29 2k3m h ARG 103 Cb 1.84 0.00 -0.03 0.00 -0.01 0.00 0.00 29.97 31.77 2k3m h ARG 103 CO -0.02 0.62 0.07 0.98 -3.11 0.00 0.00 179.97 178.50 2k3m n TYR 104 N -4.61 1.59 0.00 2.20 4.19 0.70 -4.72 117.16 116.51 2k3m n TYR 104 Ca -0.12 -0.66 0.00 0.00 3.31 0.00 0.00 57.90 60.43 2k3m n TYR 104 Cb 0.38 -0.45 0.00 0.00 0.49 0.00 0.00 39.34 39.76 2k3m n TYR 104 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 2k3m n GLY 105 N 0.28 -0.66 2.00 2.98 0.00 0.89 -4.88 105.19 105.79 2k3m n GLY 105 Ca 0.23 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.60 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 -0.64 1.67 4.61 0.00 -0.12 -4.89 120.51 118.13 2k3m n ALA 106 Ca 0.00 0.03 0.04 0.00 0.00 0.00 0.00 53.44 53.51 2k3m n ALA 106 Cb 0.00 -1.56 0.22 0.00 0.00 0.00 0.00 19.45 18.11 2k3m n ALA 106 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2k3m n THR 107 N -2.54 0.00 -0.09 0.00 5.66 -1.26 -3.13 114.28 112.93 2k3m n THR 107 Ca -0.07 0.00 -0.15 0.00 -3.05 0.00 0.00 64.05 60.78 2k3m n THR 107 Cb 0.55 -0.22 -0.09 0.00 -1.55 0.00 0.00 70.33 69.01 2k3m n THR 107 CO 0.00 0.00 0.00 -0.37 -3.05 0.00 0.00 175.07 171.65 2k3m h VAL 108 N 0.00 0.89 -1.13 1.08 -1.51 -1.95 -3.40 116.25 110.24 2k3m h VAL 108 Ca 0.00 -1.92 0.31 0.00 -1.23 0.00 0.00 66.70 63.86 2k3m h VAL 108 Cb 0.00 1.93 -0.08 0.00 -2.13 0.00 0.00 31.29 31.01 2k3m h VAL 108 CO 0.00 0.30 0.76 0.16 -1.23 0.00 0.00 177.57 177.56 2k3m h ILE 109 N -1.00 0.44 -0.45 7.19 3.07 -1.94 -2.86 117.51 121.95 2k3m h ILE 109 Ca -0.18 -0.07 0.07 0.00 1.55 0.00 0.00 64.86 66.23 2k3m h ILE 109 Cb 0.99 0.20 -0.06 0.00 -0.27 0.00 0.00 36.82 37.69 2k3m h ILE 109 CO -0.11 0.04 0.12 -0.65 -1.05 0.00 0.00 178.15 176.50 2k3m h PRO 110 N 0.21 0.25 0.10 0.16 0.11 -1.77 -1.82 132.00 129.26 2k3m h PRO 110 Ca 0.61 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.70 2k3m h PRO 110 Cb 1.91 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.96 2k3m h PRO 110 CO -0.20 0.17 -0.05 -0.97 -0.21 0.00 0.00 178.00 176.74 2k3m h ASN 111 N 0.26 -0.12 -1.20 -2.05 -0.73 -1.77 -2.74 115.58 107.23 2k3m h ASN 111 Ca 0.22 0.00 0.35 0.00 1.87 0.00 0.00 56.30 58.74 2k3m h ASN 111 Cb 0.26 0.03 -0.05 0.00 0.27 0.00 0.00 38.32 38.83 2k3m h ASN 111 CO -0.27 -0.00 0.94 -0.29 -0.37 0.00 0.00 177.43 177.44 2k3m h ILE 112 N -0.30 0.28 -0.24 2.57 2.10 -1.65 1.19 117.51 121.46 2k3m h ILE 112 Ca -0.01 0.00 -0.20 0.00 1.08 0.00 0.00 64.86 65.73 2k3m h ILE 112 Cb 0.11 0.32 0.00 0.00 -1.09 0.00 0.00 36.82 36.16 2k3m h ILE 112 CO 0.02 0.00 -0.61 0.78 -1.08 0.00 0.00 178.15 177.26 2k3m h ASN 113 N 0.00 0.96 -0.27 2.19 4.21 -1.39 3.67 115.58 124.95 2k3m h ASN 113 Ca 0.57 -0.56 0.05 0.00 1.21 0.00 0.00 56.30 57.57 2k3m h ASN 113 Cb 2.45 -0.28 -0.05 0.00 -1.12 0.00 0.00 38.32 39.32 2k3m h ASN 113 CO -0.01 1.35 -0.07 0.00 -1.29 0.00 0.00 177.43 177.42 2k3m h ALA 114 N 0.63 0.18 0.02 -0.83 0.00 0.17 -0.76 119.26 118.67 2k3m h ALA 114 Ca -0.01 0.11 -0.14 0.00 0.00 0.00 0.00 54.91 54.87 2k3m h ALA 114 Cb 1.23 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 19.21 2k3m h ALA 114 CO 0.13 -0.47 -0.76 0.00 0.00 0.00 0.00 179.25 178.16 2k3m h ALA 115 N 1.27 0.14 -0.87 0.00 0.00 -1.12 -3.30 119.26 115.37 2k3m h ALA 115 Ca 0.13 -0.90 0.19 0.00 0.00 0.00 0.00 54.91 54.33 2k3m h ALA 115 Cb 0.20 0.39 -0.16 0.00 0.00 0.00 0.00 17.79 18.22 2k3m h ALA 115 CO -0.28 0.42 -0.15 0.82 0.00 0.00 0.00 179.25 180.07 2k3m h ILE 116 N -0.90 0.14 -0.40 0.00 5.03 0.69 6.33 117.51 128.40 2k3m h ILE 116 Ca -0.20 -0.01 0.05 0.00 -0.12 0.00 0.00 64.86 64.59 2k3m h ILE 116 Cb 1.25 0.12 -0.08 0.00 -3.03 0.00 0.00 36.82 35.08 2k3m h ILE 116 CO -0.08 0.00 -0.55 -0.33 -0.68 0.00 0.00 178.15 176.50 2k3m h GLU 117 N 0.02 -0.39 0.09 2.37 5.08 -1.26 2.25 114.58 122.74 2k3m h GLU 117 Ca 0.44 0.03 -0.00 0.00 -1.00 0.00 0.00 59.36 58.83 2k3m h GLU 117 Cb 0.74 0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2k3m h GLU 117 CO -0.87 -0.26 -0.04 0.28 -1.00 0.00 0.00 179.01 177.12 2k3m h VAL 118 N -0.41 0.45 0.00 3.13 2.07 0.44 -2.63 116.25 119.30 2k3m h VAL 118 Ca 0.07 -1.19 -0.01 0.00 0.82 0.00 0.00 66.70 66.40 2k3m h VAL 118 Cb 0.60 0.82 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2k3m h VAL 118 CO -0.59 0.14 -0.03 0.25 0.02 0.00 0.00 177.57 177.36 2k3m h LEU 119 N -1.00 0.00 0.00 2.57 5.85 1.17 -3.38 115.31 120.52 2k3m h LEU 119 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k3m h LEU 119 Cb 0.33 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2k3m h LEU 119 CO 0.02 0.03 -0.34 0.61 -0.34 0.00 0.00 178.44 178.42 2k3m n GLY 120 N -1.09 -0.07 0.00 3.75 0.00 0.23 -4.94 105.19 103.08 2k3m n GLY 120 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2k3m n GLY 120 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2k3m n THR 121 N -3.16 0.00 0.00 2.61 5.66 0.70 -4.88 114.28 115.20 2k3m n THR 121 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2k3m n THR 121 Cb 0.17 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.95 2k3m n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2k3m n GLY 122 N 0.00 3.15 3.52 1.09 0.00 -1.26 -4.36 105.19 107.34 2k3m n GLY 122 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.35 -0.01 -3.70 2.61 5.66 -1.26 -4.64 114.28 111.60 2k3m n THR 123 Ca 0.00 -0.46 -0.01 0.00 -3.05 0.00 0.00 64.05 60.53 2k3m n THR 123 Cb 0.00 -0.81 0.01 0.00 -1.55 0.00 0.00 70.33 67.98 2k3m n THR 123 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 2k3m n ASP 124 N 10.56 -0.81 -3.78 1.09 5.68 -1.26 -4.93 116.55 123.10 2k3m n ASP 124 Ca 0.60 -1.40 -0.13 0.00 -0.50 0.00 0.00 54.79 53.36 2k3m n ASP 124 Cb 0.23 1.31 -0.09 0.00 -1.14 0.00 0.00 41.12 41.43 2k3m n ASP 124 CO 0.00 0.00 0.00 -0.47 -1.33 0.00 0.00 177.20 175.40 2k3m s TYR 125 N -3.88 -0.18 -0.00 2.11 6.14 -1.26 -5.10 117.35 115.18 2k3m s TYR 125 Ca 0.12 0.34 -0.11 0.00 0.64 0.00 0.00 57.07 58.06 2k3m s TYR 125 Cb -0.01 0.08 0.01 0.00 0.42 0.00 0.00 41.96 42.46 2k3m s TYR 125 CO 0.02 -0.32 0.22 1.03 0.64 0.00 0.00 175.55 177.14 2k3m s ARG 126 N -0.99 0.58 0.00 4.97 0.52 -1.26 -4.95 118.95 117.82 2k3m s ARG 126 Ca -0.11 -0.34 0.27 0.00 -0.52 0.00 0.00 55.73 55.04 2k3m s ARG 126 Cb -0.05 0.25 0.75 0.00 0.52 0.00 0.00 34.95 36.42 2k3m s ARG 126 CO 0.03 -0.15 1.58 1.97 0.02 0.00 0.00 175.30 178.74