#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kfs s PRO 2 N 0.00 3.09 -0.36 3.17 0.04 -1.26 -4.72 135.00 134.96 2kfs s PRO 2 Ca 0.00 -0.10 0.05 0.00 0.04 0.00 0.00 61.00 60.99 2kfs s PRO 2 Cb 0.00 -4.26 0.27 0.00 0.04 0.00 0.00 34.50 30.55 2kfs s PRO 2 CO 0.00 -2.27 1.25 0.41 0.04 0.00 0.00 177.00 176.42 2kfs n GLY 3 N 5.49 -0.38 3.77 0.56 0.00 -1.26 -5.13 105.19 108.24 2kfs n GLY 3 Ca 0.07 0.29 -0.38 0.00 0.00 0.00 0.00 46.02 46.01 2kfs n GLY 3 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kfs s ARG 4 N 0.12 4.24 -0.16 1.61 3.03 -1.26 -5.05 118.95 121.48 2kfs s ARG 4 Ca 0.17 1.66 -0.08 0.00 2.03 0.00 0.00 55.73 59.51 2kfs s ARG 4 Cb 0.25 -2.73 0.06 0.00 -1.03 0.00 0.00 34.95 31.51 2kfs s ARG 4 CO -0.10 -0.11 0.36 0.00 -1.13 0.00 0.00 175.30 174.32 2kfs s ALA 5 N -1.48 -0.91 -0.51 7.88 0.00 -1.26 -5.10 121.76 120.38 2kfs s ALA 5 Ca 0.55 1.37 -0.28 0.00 0.00 0.00 0.00 51.96 53.59 2kfs s ALA 5 Cb -0.27 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 21.96 2kfs s ALA 5 CO 0.33 -0.33 1.42 -1.25 0.00 0.00 0.00 175.76 175.94 2kfs s PRO 6 N 1.57 3.38 0.00 0.00 0.04 -1.26 -4.98 135.00 133.75 2kfs s PRO 6 Ca -0.08 0.63 0.00 0.00 0.04 0.00 0.00 61.00 61.59 2kfs s PRO 6 Cb -0.09 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.35 2kfs s PRO 6 CO -0.12 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.51 2kfs n GLY 7 N 5.20 1.22 3.66 0.56 0.00 -1.26 -4.95 105.19 109.62 2kfs n GLY 7 Ca 0.14 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 2kfs n GLY 7 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 8 N -1.00 6.44 0.08 1.61 0.01 -1.26 -4.99 113.70 114.59 2kfs s SER 8 Ca 0.00 2.63 0.10 0.00 1.31 0.00 0.00 55.95 59.99 2kfs s SER 8 Cb 0.00 -2.53 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 2kfs s SER 8 CO 0.00 -1.06 -0.26 -0.89 0.41 0.00 0.00 173.24 171.43 2kfs s THR 9 N 4.51 2.22 0.43 1.44 2.01 -1.26 -5.13 115.64 119.87 2kfs s THR 9 Ca 0.88 -1.52 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 2kfs s THR 9 Cb -0.42 -1.91 -0.10 0.00 0.01 0.00 0.00 72.50 70.08 2kfs s THR 9 CO 0.41 0.26 0.92 -0.76 -0.69 0.00 0.00 174.62 174.76 2kfs s LEU 10 N -1.56 3.89 0.05 4.42 1.43 -1.26 -5.08 118.68 120.57 2kfs s LEU 10 Ca 0.13 1.58 0.05 0.00 -1.03 0.00 0.00 54.13 54.85 2kfs s LEU 10 Cb -0.10 -4.44 -0.02 0.00 0.03 0.00 0.00 46.19 41.65 2kfs s LEU 10 CO 0.04 -0.39 -0.13 0.00 0.23 0.00 0.00 176.35 176.10 2kfs s ALA 11 N -2.25 1.10 -0.19 4.21 0.00 -1.26 -5.15 121.76 118.21 2kfs s ALA 11 Ca 0.60 -0.84 -0.14 0.00 0.00 0.00 0.00 51.96 51.58 2kfs s ALA 11 Cb -0.09 -0.14 0.06 0.00 0.00 0.00 0.00 23.12 22.94 2kfs s ALA 11 CO 0.18 0.18 0.49 -0.98 0.00 0.00 0.00 175.76 175.64 2kfs s ARG 12 N -1.28 0.52 -0.29 0.00 3.03 -1.26 -5.11 118.95 114.56 2kfs s ARG 12 Ca -0.00 0.82 0.04 0.00 2.03 0.00 0.00 55.73 58.62 2kfs s ARG 12 Cb -0.08 0.12 0.18 0.00 -1.03 0.00 0.00 34.95 34.14 2kfs s ARG 12 CO 0.01 -0.12 0.49 0.54 -1.13 0.00 0.00 175.30 175.10 2kfs s VAL 13 N 0.99 -0.80 0.00 4.99 0.11 -1.26 -5.06 120.40 119.36 2kfs s VAL 13 Ca -0.06 -0.16 0.00 0.00 -2.93 0.00 0.00 61.98 58.83 2kfs s VAL 13 Cb -0.06 -0.98 0.00 0.00 -1.53 0.00 0.00 36.38 33.81 2kfs s VAL 13 CO -0.09 -0.15 0.00 0.61 -3.33 0.00 0.00 175.10 172.14 2kfs n GLY 14 N 5.37 -0.45 3.64 6.54 0.00 -1.26 -5.09 105.19 113.95 2kfs n GLY 14 Ca 0.03 0.21 -0.43 0.00 0.00 0.00 0.00 46.02 45.83 2kfs n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 15 N 1.40 6.59 -0.21 1.61 1.04 -1.26 -4.76 113.70 118.12 2kfs s SER 15 Ca 0.00 1.70 -0.24 0.00 0.48 0.00 0.00 55.95 57.90 2kfs s SER 15 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.57 2kfs s SER 15 CO 0.00 -1.06 0.79 -0.63 0.98 0.00 0.00 173.24 173.31 2kfs s ILE 16 N 4.50 4.89 0.75 -1.02 1.09 -1.26 -5.03 121.20 125.12 2kfs s ILE 16 Ca 0.66 1.51 -0.12 0.00 -1.10 0.00 0.00 60.65 61.60 2kfs s ILE 16 Cb -0.25 -4.09 0.05 0.00 -1.06 0.00 0.00 42.46 37.11 2kfs s ILE 16 CO 0.25 0.00 1.10 -2.84 -0.10 0.00 0.00 174.94 173.36 2kfs s PRO 17 N 2.38 2.33 0.03 2.79 0.02 -1.26 -4.80 135.00 136.49 2kfs s PRO 17 Ca 0.35 1.24 -0.22 0.00 0.02 0.00 0.00 61.00 62.39 2kfs s PRO 17 Cb -0.16 -1.90 -0.06 0.00 0.02 0.00 0.00 34.50 32.40 2kfs s PRO 17 CO 0.10 -1.60 0.64 0.00 -0.33 0.00 0.00 177.00 175.82 2kfs s ALA 18 N -2.76 3.47 0.00 -1.55 0.00 -1.26 -4.62 121.76 115.04 2kfs s ALA 18 Ca 0.63 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.70 2kfs s ALA 18 Cb -0.18 -2.80 0.00 0.00 0.00 0.00 0.00 23.12 20.14 2kfs s ALA 18 CO 0.53 0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.88 2kfs n GLY 19 N 2.28 0.65 3.63 0.00 0.00 -1.26 -4.57 105.19 105.92 2kfs n GLY 19 Ca -0.06 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.61 2kfs n GLY 19 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kfs s ASP 20 N 0.51 5.46 -0.84 1.61 2.15 -1.26 -3.85 116.67 120.45 2kfs s ASP 20 Ca 0.00 0.07 -0.25 0.00 0.43 0.00 0.00 52.55 52.80 2kfs s ASP 20 Cb 0.00 -1.86 0.00 0.00 -0.30 0.00 0.00 42.92 40.76 2kfs s ASP 20 CO 0.00 0.22 1.64 1.51 -0.17 0.00 0.00 175.17 178.36 2kfs s ASP 21 N 0.10 5.79 0.15 -0.34 -4.77 -1.09 -4.58 116.67 111.93 2kfs s ASP 21 Ca 0.04 -0.64 -0.16 0.00 -3.30 0.00 0.00 52.55 48.49 2kfs s ASP 21 Cb -0.12 -2.56 0.01 0.00 -1.09 0.00 0.00 42.92 39.16 2kfs s ASP 21 CO 0.01 -2.11 1.79 0.58 0.70 0.00 0.00 175.17 176.14 2kfs h VAL 22 N 6.77 1.12 -4.11 2.11 2.07 -1.91 -3.43 116.25 118.87 2kfs h VAL 22 Ca -0.03 -0.26 -0.50 0.00 0.82 0.00 0.00 66.70 66.73 2kfs h VAL 22 Cb 1.05 0.58 0.08 0.00 -1.52 0.00 0.00 31.29 31.48 2kfs h VAL 22 CO 1.29 0.12 0.42 -1.48 0.02 0.00 0.00 177.57 177.94 2kfs s LEU 23 N -10.10 3.68 0.55 2.57 0.05 -1.26 -5.00 118.68 109.17 2kfs s LEU 23 Ca -0.13 2.14 -0.19 0.00 0.05 0.00 0.00 54.13 56.00 2kfs s LEU 23 Cb 0.11 -4.57 -0.06 0.00 -2.05 0.00 0.00 46.19 39.61 2kfs s LEU 23 CO 0.73 -1.29 1.09 -1.81 -0.55 0.00 0.00 176.35 174.52 2kfs s ASP 24 N -1.93 5.84 0.59 1.48 1.11 -1.26 -4.92 116.67 117.57 2kfs s ASP 24 Ca 0.72 2.04 0.29 0.00 0.18 0.00 0.00 52.55 55.77 2kfs s ASP 24 Cb -0.23 -2.57 1.66 0.00 1.07 0.00 0.00 42.92 42.86 2kfs s ASP 24 CO 0.30 -1.13 2.10 1.55 1.18 0.00 0.00 175.17 179.16 2kfs h PRO 25 N 1.08 0.00 0.00 8.23 0.13 -1.94 -0.33 132.00 139.16 2kfs h PRO 25 Ca -0.49 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.56 2kfs h PRO 25 Cb 1.24 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2kfs h PRO 25 CO 0.57 0.00 -0.36 0.22 -0.23 0.00 0.00 178.00 178.20 2kfs h ASP 26 N 0.00 0.00 -2.86 1.44 3.58 -2.04 -3.41 116.42 113.13 2kfs h ASP 26 Ca 0.09 0.00 -0.56 0.00 0.42 0.00 0.00 57.03 56.97 2kfs h ASP 26 Cb 0.49 0.00 -0.03 0.00 1.72 0.00 0.00 39.33 41.51 2kfs h ASP 26 CO -0.00 0.36 1.00 -1.61 -2.88 0.00 0.00 179.24 176.11 2kfs s GLU 27 N -4.00 4.08 0.53 0.28 0.41 -0.14 -4.96 118.70 114.91 2kfs s GLU 27 Ca -0.02 1.70 -0.21 0.00 -0.41 0.00 0.00 54.97 56.03 2kfs s GLU 27 Cb 0.13 -3.88 -0.05 0.00 -1.78 0.00 0.00 34.13 28.55 2kfs s GLU 27 CO 0.70 -0.92 1.25 -1.25 -0.49 0.00 0.00 175.26 174.55 2kfs s PRO 28 N 3.96 3.28 0.34 0.39 0.04 -1.26 -4.84 135.00 136.91 2kfs s PRO 28 Ca 0.62 1.97 0.03 0.00 0.04 0.00 0.00 61.00 63.66 2kfs s PRO 28 Cb -0.24 -2.21 -0.05 0.00 0.04 0.00 0.00 34.50 32.05 2kfs s PRO 28 CO 0.22 -1.00 0.09 0.95 0.04 0.00 0.00 177.00 177.30 2kfs s THR 29 N -1.46 0.87 0.28 1.26 -4.23 -1.26 -2.64 115.64 108.46 2kfs s THR 29 Ca 0.71 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.33 2kfs s THR 29 Cb -0.34 -2.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.84 2kfs s THR 29 CO 0.39 0.00 -0.11 -0.31 -0.54 0.00 0.00 174.62 174.05 2kfs s TYR 30 N -3.35 2.45 0.18 3.99 2.02 0.14 -4.75 117.35 118.03 2kfs s TYR 30 Ca 0.32 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.74 2kfs s TYR 30 Cb 0.06 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.46 2kfs s TYR 30 CO 0.15 0.66 -0.02 -0.51 -1.57 0.00 0.00 175.55 174.26 2kfs s ASP 31 N -3.59 1.50 0.20 2.29 1.11 -1.26 -0.81 116.67 116.11 2kfs s ASP 31 Ca 0.31 -1.15 -0.20 0.00 0.18 0.00 0.00 52.55 51.69 2kfs s ASP 31 Cb -0.05 0.06 0.16 0.00 1.07 0.00 0.00 42.92 44.16 2kfs s ASP 31 CO 0.17 -0.50 1.56 -0.07 1.18 0.00 0.00 175.17 177.51 2kfs h LEU 32 N 2.66 -1.42 -0.90 1.23 -0.00 -1.99 -0.79 115.31 114.10 2kfs h LEU 32 Ca -0.37 0.28 0.03 0.00 -0.00 0.00 0.00 57.88 57.82 2kfs h LEU 32 Cb 1.21 0.71 -0.05 0.00 -0.00 0.00 0.00 40.66 42.52 2kfs h LEU 32 CO 0.63 -0.30 0.59 1.55 -0.00 0.00 0.00 178.44 180.92 2kfs h PRO 33 N -0.08 1.12 -0.14 1.13 0.13 -1.98 0.11 132.00 132.30 2kfs h PRO 33 Ca 0.28 -0.07 -0.15 0.00 -0.87 0.00 0.00 66.00 65.19 2kfs h PRO 33 Cb 0.57 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.44 2kfs h PRO 33 CO -0.86 0.74 -0.57 -0.09 -0.23 0.00 0.00 178.00 177.00 2kfs h ARG 34 N 1.16 0.42 -0.37 0.86 9.65 -1.69 -0.41 114.38 124.00 2kfs h ARG 34 Ca 0.35 -0.27 -0.13 0.00 -1.10 0.00 0.00 59.98 58.83 2kfs h ARG 34 Cb -0.03 0.03 -0.01 0.00 -1.39 0.00 0.00 29.97 28.58 2kfs h ARG 34 CO -0.11 0.88 -0.28 0.28 2.80 0.00 0.00 179.97 183.54 2kfs h VAL 35 N 0.32 1.28 -0.61 0.20 2.07 -0.67 -1.75 116.25 117.10 2kfs h VAL 35 Ca 0.00 -1.43 0.00 0.00 0.82 0.00 0.00 66.70 66.09 2kfs h VAL 35 Cb 1.09 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 32.21 2kfs h VAL 35 CO 0.10 0.48 0.39 0.00 0.02 0.00 0.00 177.57 178.56 2kfs h ALA 36 N 0.78 1.55 -0.37 1.67 0.00 -0.65 -1.93 119.26 120.30 2kfs h ALA 36 Ca 0.07 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 2kfs h ALA 36 Cb 0.85 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2kfs h ALA 36 CO 0.07 0.41 0.11 1.49 0.00 0.00 0.00 179.25 181.34 2kfs h GLU 37 N 0.83 0.58 -0.42 0.00 4.81 -0.72 0.33 114.58 119.98 2kfs h GLU 37 Ca 0.22 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.32 2kfs h GLU 37 Cb -0.08 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.20 2kfs h GLU 37 CO -0.05 0.60 0.25 -0.07 -0.73 0.00 0.00 179.01 179.01 2kfs h LEU 38 N 0.45 0.50 0.00 1.64 3.38 -0.60 -2.68 115.31 118.00 2kfs h LEU 38 Ca 0.12 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2kfs h LEU 38 Cb 0.26 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kfs h LEU 38 CO -0.00 0.41 -0.46 -0.07 0.09 0.00 0.00 178.44 178.41 2kfs h LEU 39 N 0.55 0.00 1.25 1.67 3.38 -1.32 -3.46 115.31 117.38 2kfs h LEU 39 Ca 0.15 -0.04 -0.21 0.00 0.09 0.00 0.00 57.88 57.87 2kfs h LEU 39 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 2kfs h LEU 39 CO -0.03 0.02 -0.28 0.61 0.09 0.00 0.00 178.44 178.86 2kfs n GLY 40 N 1.20 -0.04 3.28 0.83 0.00 0.10 -5.03 105.19 105.54 2kfs n GLY 40 Ca 0.03 -0.42 -0.17 0.00 0.00 0.00 0.00 46.02 45.46 2kfs n GLY 40 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kfs s VAL 41 N -2.59 1.42 0.86 1.61 -7.23 -0.52 -5.01 120.40 108.93 2kfs s VAL 41 Ca 0.03 -2.04 -0.10 0.00 -1.81 0.00 0.00 61.98 58.06 2kfs s VAL 41 Cb -0.01 -1.85 0.11 0.00 0.56 0.00 0.00 36.38 35.19 2kfs s VAL 41 CO 0.04 -0.62 1.11 -2.16 -0.31 0.00 0.00 175.10 173.16 2kfs s PRO 42 N -3.47 1.50 0.44 4.82 0.04 -1.26 -4.50 135.00 132.57 2kfs s PRO 42 Ca 0.17 1.28 0.11 0.00 0.04 0.00 0.00 61.00 62.60 2kfs s PRO 42 Cb -0.00 -1.80 0.99 0.00 0.04 0.00 0.00 34.50 33.73 2kfs s PRO 42 CO 0.03 -2.21 2.06 0.28 0.04 0.00 0.00 177.00 177.20 2kfs h VAL 43 N -1.55 1.03 -0.98 -0.36 2.07 -1.94 -1.24 116.25 113.28 2kfs h VAL 43 Ca -0.45 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 66.95 2kfs h VAL 43 Cb 1.26 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 31.58 2kfs h VAL 43 CO 0.47 0.07 0.64 0.77 0.02 0.00 0.00 177.57 179.55 2kfs h SER 44 N 0.40 1.13 0.27 0.57 4.64 -1.98 0.21 113.55 118.78 2kfs h SER 44 Ca 0.15 -0.03 -0.12 0.00 -0.47 0.00 0.00 61.79 61.32 2kfs h SER 44 Cb 0.11 -0.28 -0.01 0.00 -0.31 0.00 0.00 62.40 61.90 2kfs h SER 44 CO -0.03 0.83 -0.46 0.11 -0.87 0.00 0.00 176.83 176.40 2kfs h LYS 45 N 1.33 0.24 -0.68 4.77 1.57 -1.60 -1.19 116.57 121.02 2kfs h LYS 45 Ca 0.36 -0.13 -0.06 0.00 -1.87 0.00 0.00 60.65 58.95 2kfs h LYS 45 Cb -0.15 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 2kfs h LYS 45 CO -0.08 0.66 0.17 0.28 -0.57 0.00 0.00 179.45 179.91 2kfs h VAL 46 N 0.19 1.26 -0.54 0.50 2.07 -0.89 -2.17 116.25 116.67 2kfs h VAL 46 Ca 0.01 -0.94 -0.02 0.00 0.82 0.00 0.00 66.70 66.57 2kfs h VAL 46 Cb 0.89 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2kfs h VAL 46 CO 0.07 0.36 0.25 0.00 0.02 0.00 0.00 177.57 178.27 2kfs h ALA 47 N 1.07 1.43 -0.84 1.67 0.00 -0.21 -2.08 119.26 120.30 2kfs h ALA 47 Ca 0.21 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 2kfs h ALA 47 Cb 0.36 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 2kfs h ALA 47 CO 0.00 0.45 0.45 1.96 0.00 0.00 0.00 179.25 182.11 2kfs h GLN 48 N 0.76 1.18 -0.42 0.00 4.20 -0.61 0.29 115.11 120.50 2kfs h GLN 48 Ca 0.19 -0.14 0.02 0.00 0.06 0.00 0.00 58.65 58.78 2kfs h GLN 48 Cb 0.10 -0.23 -0.03 0.00 0.30 0.00 0.00 27.48 27.62 2kfs h GLN 48 CO -0.02 0.87 0.24 1.96 -0.67 0.00 0.00 178.83 181.21 2kfs h GLN 49 N 1.18 0.47 -0.85 1.46 1.08 -0.91 -0.60 115.11 116.94 2kfs h GLN 49 Ca 0.30 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.44 2kfs h GLN 49 Cb 0.04 -0.11 -0.04 0.00 -0.05 0.00 0.00 27.48 27.33 2kfs h GLN 49 CO -0.05 0.31 0.42 1.25 -0.95 0.00 0.00 178.83 179.81 2kfs h LEU 50 N 0.48 1.11 -1.30 1.46 5.85 -1.04 0.26 115.31 122.12 2kfs h LEU 50 Ca 0.17 -0.13 -0.06 0.00 0.84 0.00 0.00 57.88 58.70 2kfs h LEU 50 Cb 0.03 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 2kfs h LEU 50 CO -0.09 0.92 -0.30 0.03 -0.34 0.00 0.00 178.44 178.66 2kfs h ARG 51 N 1.21 0.00 -0.00 1.25 3.08 -0.21 -2.86 114.38 116.85 2kfs h ARG 51 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2kfs h ARG 51 Cb 0.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.15 2kfs h ARG 51 CO -0.04 0.30 -0.61 0.39 -1.07 0.00 0.00 179.97 178.94 2kfs n GLU 52 N -3.73 0.36 -1.30 0.04 1.02 -0.30 -4.25 120.64 112.48 2kfs n GLU 52 Ca -0.01 -0.26 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 2kfs n GLU 52 Cb 0.40 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 2kfs n GLU 52 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kfs n GLY 53 N 1.46 0.58 0.35 0.62 0.00 -0.60 -4.94 105.19 102.66 2kfs n GLY 53 Ca 0.07 -0.81 0.12 0.00 0.00 0.00 0.00 46.02 45.40 2kfs n GLY 53 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2kfs n HIS 54 N -3.20 0.00 -3.51 1.61 8.25 0.81 -4.30 115.22 114.88 2kfs n HIS 54 Ca 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.33 2kfs n HIS 54 Cb 0.24 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.26 2kfs n HIS 54 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 2kfs s LEU 55 N -2.55 -0.53 0.10 2.41 2.96 -1.19 -4.45 118.68 115.42 2kfs s LEU 55 Ca 0.19 0.37 -0.06 0.00 -0.22 0.00 0.00 54.13 54.41 2kfs s LEU 55 Cb 0.18 2.32 -0.02 0.00 0.50 0.00 0.00 46.19 49.18 2kfs s LEU 55 CO 0.59 -0.63 0.14 0.54 -1.32 0.00 0.00 176.35 175.67 2kfs s VAL 56 N -2.07 0.14 0.11 1.68 0.11 -1.26 -4.11 120.40 115.00 2kfs s VAL 56 Ca -0.04 -1.43 -0.06 0.00 -2.93 0.00 0.00 61.98 57.53 2kfs s VAL 56 Cb -0.00 -1.53 -0.02 0.00 -1.53 0.00 0.00 36.38 33.29 2kfs s VAL 56 CO -0.00 -0.65 0.15 0.00 -3.33 0.00 0.00 175.10 171.26 2kfs s ALA 57 N -3.91 0.21 0.28 1.54 0.00 -1.26 -4.82 121.76 113.80 2kfs s ALA 57 Ca 0.09 -0.99 0.06 0.00 0.00 0.00 0.00 51.96 51.13 2kfs s ALA 57 Cb 0.06 0.63 -0.06 0.00 0.00 0.00 0.00 23.12 23.75 2kfs s ALA 57 CO -0.08 -0.52 -0.05 0.14 0.00 0.00 0.00 175.76 175.25 2kfs s VAL 58 N -3.94 1.60 -0.13 0.00 -7.23 0.18 -4.43 120.40 106.45 2kfs s VAL 58 Ca 0.13 -2.12 -0.02 0.00 -1.81 0.00 0.00 61.98 58.17 2kfs s VAL 58 Cb 0.06 -2.45 -0.02 0.00 0.56 0.00 0.00 36.38 34.53 2kfs s VAL 58 CO -0.05 -0.30 -0.07 -0.60 -0.31 0.00 0.00 175.10 173.77 2kfs s ARG 59 N -3.74 3.37 -0.05 4.82 3.52 -1.25 -0.21 118.95 125.41 2kfs s ARG 59 Ca 0.29 -0.57 -0.00 0.00 -0.13 0.00 0.00 55.73 55.32 2kfs s ARG 59 Cb 0.04 -2.75 0.03 0.00 -1.56 0.00 0.00 34.95 30.70 2kfs s ARG 59 CO 0.12 0.34 -0.00 -0.98 -0.81 0.00 0.00 175.30 173.96 2kfs s ARG 60 N 0.07 0.51 -1.43 5.12 1.04 0.11 -2.67 118.95 121.70 2kfs s ARG 60 Ca -0.02 0.08 -0.01 0.00 -1.04 0.00 0.00 55.73 54.75 2kfs s ARG 60 Cb -0.14 -0.78 0.00 0.00 -2.04 0.00 0.00 34.95 32.00 2kfs s ARG 60 CO 0.03 -0.22 0.06 0.00 -0.04 0.00 0.00 175.30 175.14 2kfs n ALA 61 N 4.69 -0.73 -0.17 7.88 0.00 -1.26 -0.08 120.51 130.83 2kfs n ALA 61 Ca -0.15 0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kfs n ALA 61 Cb 0.50 -2.03 0.00 0.00 0.00 0.00 0.00 19.45 17.92 2kfs n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kfs n GLY 62 N -0.96 0.75 3.70 0.00 0.00 -1.26 -5.06 105.19 102.36 2kfs n GLY 62 Ca -0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 2kfs n GLY 62 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kfs s GLY 63 N -1.60 1.91 -0.26 -0.02 0.00 0.88 -5.08 107.32 103.14 2kfs s GLY 63 Ca 0.00 -0.98 -0.14 0.00 0.00 0.00 0.00 44.72 43.60 2kfs s GLY 63 CO 0.00 -0.89 0.31 0.14 0.00 0.00 0.00 173.10 172.66 2kfs s VAL 64 N -1.17 5.23 0.11 1.40 1.01 -1.26 0.06 120.40 125.78 2kfs s VAL 64 Ca 0.22 0.44 0.02 0.00 0.00 0.00 0.00 61.98 62.66 2kfs s VAL 64 Cb -0.12 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2kfs s VAL 64 CO 0.13 0.21 -0.07 0.68 0.00 0.00 0.00 175.10 176.04 2kfs s VAL 65 N 1.84 0.81 -0.09 2.92 -7.23 0.71 -4.35 120.40 115.00 2kfs s VAL 65 Ca 0.12 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.36 2kfs s VAL 65 Cb -0.16 -1.72 0.01 0.00 0.56 0.00 0.00 36.38 35.08 2kfs s VAL 65 CO 0.10 -0.84 -0.18 -0.63 -0.31 0.00 0.00 175.10 173.24 2kfs s ILE 66 N -3.54 1.60 0.35 -0.62 1.01 0.01 -0.64 121.20 119.37 2kfs s ILE 66 Ca 0.13 -0.73 -0.29 0.00 0.00 0.00 0.00 60.65 59.76 2kfs s ILE 66 Cb 0.05 -1.43 -0.11 0.00 0.01 0.00 0.00 42.46 40.98 2kfs s ILE 66 CO -0.03 0.46 1.49 -2.65 0.00 0.00 0.00 174.94 174.21 2kfs n PRO 67 N 3.84 2.61 -0.25 2.79 -0.02 -1.26 0.24 135.00 142.95 2kfs n PRO 67 Ca -0.20 0.92 0.17 0.00 -2.02 0.00 0.00 63.50 62.36 2kfs n PRO 67 Cb 0.52 -2.64 0.48 0.00 -0.02 0.00 0.00 33.50 31.83 2kfs n PRO 67 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 2kfs h GLN 68 N 3.40 0.47 0.00 -0.52 1.08 -1.80 -1.57 115.11 116.17 2kfs h GLN 68 Ca -0.49 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 2kfs h GLN 68 Cb 1.24 -0.11 0.00 0.00 -0.05 0.00 0.00 27.48 28.57 2kfs h GLN 68 CO 0.68 0.31 0.00 1.33 -0.95 0.00 0.00 178.83 180.20 2kfs n VAL 69 N -4.53 1.01 0.55 -0.54 0.24 -1.26 -1.63 118.33 112.17 2kfs n VAL 69 Ca 0.19 0.25 0.13 0.00 -2.04 0.00 0.00 64.34 62.87 2kfs n VAL 69 Cb 0.63 -1.03 0.36 0.00 -1.47 0.00 0.00 33.84 32.33 2kfs n VAL 69 CO 0.00 0.00 0.00 -0.26 -2.14 0.00 0.00 176.83 174.43 2kfs h PHE 70 N 0.00 0.00 -2.05 6.34 -1.00 -1.66 -3.45 116.94 115.12 2kfs h PHE 70 Ca 0.00 0.00 -0.55 0.00 2.81 0.00 0.00 57.97 60.23 2kfs h PHE 70 Cb 0.21 0.00 -0.08 0.00 3.61 0.00 0.00 35.95 39.68 2kfs h PHE 70 CO 0.00 0.00 -0.59 -0.06 -1.61 0.00 0.00 178.31 176.05 2kfs s PHE 71 N -3.12 2.74 0.62 -0.55 0.40 -0.65 -2.22 117.98 115.19 2kfs s PHE 71 Ca 0.10 -0.29 -0.06 0.00 -0.60 0.00 0.00 56.93 56.08 2kfs s PHE 71 Cb 0.11 -1.42 0.02 0.00 0.51 0.00 0.00 43.02 42.24 2kfs s PHE 71 CO 0.61 0.48 0.93 0.95 0.70 0.00 0.00 175.22 178.90 2kfs s THR 72 N -2.36 3.38 0.31 0.64 -4.23 0.12 -4.81 115.64 108.69 2kfs s THR 72 Ca 0.34 -0.03 0.34 0.00 -1.18 0.00 0.00 61.69 61.16 2kfs s THR 72 Cb -0.05 -3.37 0.36 0.00 1.34 0.00 0.00 72.50 70.79 2kfs s THR 72 CO 0.22 -0.38 2.08 -1.13 -0.54 0.00 0.00 174.62 174.86 2kfs h ASN 73 N -0.27 0.00 0.19 3.99 -0.73 -1.92 -1.92 115.58 114.91 2kfs h ASN 73 Ca -0.45 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.72 2kfs h ASN 73 Cb 1.27 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.86 2kfs h ASN 73 CO 0.61 0.05 -0.00 -1.20 -0.37 0.00 0.00 177.43 176.52 2kfs n SER 74 N -3.25 0.03 0.00 1.15 7.64 -1.26 -4.90 113.62 113.03 2kfs n SER 74 Ca -0.01 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.14 2kfs n SER 74 Cb 0.25 -0.09 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2kfs n GLY 75 N 1.10 2.46 3.95 0.23 0.00 -0.72 -5.05 105.19 107.16 2kfs n GLY 75 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 2kfs n GLY 75 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2kfs s GLN 76 N -0.92 3.01 0.47 1.61 -2.07 -1.26 -4.68 119.66 115.81 2kfs s GLN 76 Ca 0.00 -0.43 -0.12 0.00 -1.82 0.00 0.00 55.36 52.99 2kfs s GLN 76 Cb 0.00 -2.51 -0.06 0.00 -1.09 0.00 0.00 33.01 29.35 2kfs s GLN 76 CO 0.00 -0.37 0.86 0.54 -1.32 0.00 0.00 175.29 175.01 2kfs s VAL 77 N -2.64 4.72 0.07 3.63 0.11 -1.26 0.12 120.40 125.15 2kfs s VAL 77 Ca 0.50 0.78 -0.31 0.00 -2.93 0.00 0.00 61.98 60.02 2kfs s VAL 77 Cb -0.10 -3.76 -0.08 0.00 -1.53 0.00 0.00 36.38 30.91 2kfs s VAL 77 CO 0.39 -0.67 1.58 -0.69 -3.33 0.00 0.00 175.10 172.39 2kfs s VAL 78 N -2.56 3.11 0.53 2.04 1.01 -0.94 -4.73 120.40 118.85 2kfs s VAL 78 Ca 0.53 0.61 0.25 0.00 0.00 0.00 0.00 61.98 63.38 2kfs s VAL 78 Cb -0.10 -3.39 0.31 0.00 0.00 0.00 0.00 36.38 33.19 2kfs s VAL 78 CO 0.35 0.01 2.17 0.07 0.00 0.00 0.00 175.10 177.70 2kfs h LYS 79 N 7.92 0.00 -0.01 2.72 2.10 -1.94 -1.01 116.57 126.37 2kfs h LYS 79 Ca -0.42 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.23 2kfs h LYS 79 Cb 1.20 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.53 2kfs h LYS 79 CO 0.92 0.04 -0.01 0.43 -2.00 0.00 0.00 179.45 178.83 2kfs n SER 80 N -3.99 0.62 0.28 7.07 7.64 -1.26 -4.24 113.62 119.74 2kfs n SER 80 Ca -0.03 -1.14 -0.16 0.00 1.01 0.00 0.00 58.87 58.55 2kfs n SER 80 Cb 0.13 -0.01 -0.08 0.00 -1.01 0.00 0.00 64.21 63.24 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kfs h LEU 81 N 0.96 -0.57 -2.08 -3.43 5.85 -1.54 -2.99 115.31 111.51 2kfs h LEU 81 Ca 0.00 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.76 2kfs h LEU 81 Cb 0.23 0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2kfs h LEU 81 CO 0.00 -0.38 0.12 1.55 -0.34 0.00 0.00 178.44 179.39 2kfs h PRO 82 N -0.71 0.00 -0.41 5.25 0.13 -1.75 -2.23 132.00 132.28 2kfs h PRO 82 Ca -0.07 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.05 2kfs h PRO 82 Cb 0.53 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.64 2kfs h PRO 82 CO 0.11 0.00 0.21 0.78 -0.23 0.00 0.00 178.00 178.87 2kfs h GLY 83 N 0.00 0.63 1.08 1.56 0.00 -1.78 0.25 103.07 104.82 2kfs h GLY 83 Ca 0.07 -0.30 -0.15 0.00 0.00 0.00 0.00 47.33 46.95 2kfs h GLY 83 CO -0.00 0.29 -0.36 0.17 0.00 0.00 0.00 176.54 176.64 2kfs h LEU 84 N 0.53 0.93 -0.53 3.11 8.10 -1.39 -3.15 115.31 122.91 2kfs h LEU 84 Ca 0.14 -0.47 -0.05 0.00 0.11 0.00 0.00 57.88 57.62 2kfs h LEU 84 Cb 0.10 -0.26 -0.02 0.00 -0.44 0.00 0.00 40.66 40.03 2kfs h LEU 84 CO -0.02 1.21 0.14 -0.07 -4.11 0.00 0.00 178.44 175.59 2kfs h LEU 85 N 0.67 0.80 -0.39 0.17 3.38 -1.10 -2.81 115.31 116.03 2kfs h LEU 85 Ca 0.06 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 2kfs h LEU 85 Cb 0.95 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2kfs h LEU 85 CO 0.09 0.81 0.18 0.74 0.09 0.00 0.00 178.44 180.35 2kfs h THR 86 N 0.74 1.17 -0.46 0.22 2.02 -0.52 0.26 112.91 116.35 2kfs h THR 86 Ca 0.17 -0.50 -0.05 0.00 0.77 0.00 0.00 66.41 66.79 2kfs h THR 86 Cb 0.32 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 2kfs h THR 86 CO -0.00 0.19 0.07 -0.29 0.37 0.00 0.00 175.52 175.86 2kfs h ILE 87 N 0.49 1.25 -0.31 3.11 -0.00 -1.51 -1.54 117.51 119.00 2kfs h ILE 87 Ca 0.13 -0.90 -0.11 0.00 -0.00 0.00 0.00 64.86 63.99 2kfs h ILE 87 Cb 0.13 0.95 -0.01 0.00 -0.00 0.00 0.00 36.82 37.88 2kfs h ILE 87 CO -0.02 0.32 -0.25 -0.07 -0.00 0.00 0.00 178.15 178.13 2kfs h LEU 88 N 0.62 0.61 -0.65 2.19 -0.00 -1.31 -2.60 115.31 114.17 2kfs h LEU 88 Ca 0.14 -0.21 -0.02 0.00 -0.00 0.00 0.00 57.88 57.78 2kfs h LEU 88 Cb 0.38 -0.17 -0.03 0.00 -0.00 0.00 0.00 40.66 40.85 2kfs h LEU 88 CO 0.01 0.84 0.32 -0.74 -0.00 0.00 0.00 178.44 178.87 2kfs h HIS 89 N 0.53 0.94 -0.04 1.13 2.76 -0.14 -0.19 115.15 120.14 2kfs h HIS 89 Ca 0.07 -0.04 -0.04 0.00 -2.20 0.00 0.00 60.37 58.16 2kfs h HIS 89 Cb 0.71 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.37 2kfs h HIS 89 CO 0.03 0.70 -0.19 0.22 -1.30 0.00 0.00 177.93 177.39 2kfs h ASP 90 N 0.90 0.06 0.82 3.26 3.58 -1.16 -0.94 116.42 122.94 2kfs h ASP 90 Ca 0.22 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.66 2kfs h ASP 90 Cb 0.11 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.15 2kfs h ASP 90 CO -0.03 0.25 -0.11 0.61 -2.88 0.00 0.00 179.24 177.09 2kfs n GLY 91 N -0.93 -1.40 1.66 -0.78 0.00 -0.62 -4.92 105.19 98.21 2kfs n GLY 91 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2kfs n GLY 91 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kfs n GLY 92 N 1.47 0.53 3.71 -0.02 0.00 -0.25 -5.03 105.19 105.61 2kfs n GLY 92 Ca 0.08 -0.86 -0.39 0.00 0.00 0.00 0.00 46.02 44.84 2kfs n GLY 92 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2kfs s TYR 93 N -2.00 3.56 0.89 1.61 1.51 -0.25 -5.00 117.35 117.66 2kfs s TYR 93 Ca 0.00 1.18 -0.14 0.00 -1.01 0.00 0.00 57.07 57.10 2kfs s TYR 93 Cb 0.00 -2.77 0.14 0.00 -0.11 0.00 0.00 41.96 39.22 2kfs s TYR 93 CO 0.00 0.08 1.21 -0.98 -1.11 0.00 0.00 175.55 174.75 2kfs s ARG 94 N 0.84 1.26 0.22 -0.62 1.70 -1.26 -4.52 118.95 116.57 2kfs s ARG 94 Ca 0.35 -0.01 -0.08 0.00 -0.47 0.00 0.00 55.73 55.52 2kfs s ARG 94 Cb -0.17 -1.88 0.32 0.00 -0.57 0.00 0.00 34.95 32.65 2kfs s ARG 94 CO 0.16 -2.06 1.75 0.38 -1.08 0.00 0.00 175.30 174.46 2kfs h ASP 95 N -1.39 0.29 -0.62 -2.89 2.03 -1.89 -0.22 116.42 111.73 2kfs h ASP 95 Ca -0.46 0.08 -0.04 0.00 -0.73 0.00 0.00 57.03 55.88 2kfs h ASP 95 Cb 1.30 0.05 -0.03 0.00 -0.83 0.00 0.00 39.33 39.82 2kfs h ASP 95 CO 0.56 0.16 0.23 0.74 -1.03 0.00 0.00 179.24 179.90 2kfs h THR 96 N 0.46 1.24 -0.66 1.15 2.02 -1.89 -2.41 112.91 112.81 2kfs h THR 96 Ca 0.33 -0.76 -0.08 0.00 0.77 0.00 0.00 66.41 66.67 2kfs h THR 96 Cb 0.42 0.57 -0.03 0.00 -1.74 0.00 0.00 68.15 67.37 2kfs h THR 96 CO -0.31 0.30 0.08 -0.33 0.37 0.00 0.00 175.52 175.62 2kfs h GLU 97 N 0.88 1.11 -0.17 6.66 5.08 -1.44 -1.76 114.58 124.94 2kfs h GLU 97 Ca 0.21 -0.31 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2kfs h GLU 97 Cb 0.23 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2kfs h GLU 97 CO -0.01 1.03 0.09 0.82 -1.00 0.00 0.00 179.01 179.94 2kfs h ILE 98 N 1.03 1.09 0.00 3.13 1.08 -0.90 -2.42 117.51 120.53 2kfs h ILE 98 Ca 0.20 -0.24 0.00 0.00 -0.39 0.00 0.00 64.86 64.43 2kfs h ILE 98 Cb 0.47 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.17 2kfs h ILE 98 CO 0.02 0.09 0.00 0.24 -0.69 0.00 0.00 178.15 177.80 2kfs h MET 99 N 0.18 0.00 0.28 2.37 2.86 -1.26 -3.09 114.93 116.27 2kfs h MET 99 Ca 0.06 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2kfs h MET 99 Cb 0.06 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 2kfs h MET 99 CO -0.01 0.00 -0.24 0.00 1.06 0.00 0.00 176.91 177.72 2kfs h ARG 100 N 0.00 -0.49 -0.09 1.72 3.08 -0.79 -1.52 114.38 116.28 2kfs h ARG 100 Ca 0.00 0.03 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2kfs h ARG 100 Cb 0.58 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.73 2kfs h ARG 100 CO 0.00 -0.33 -0.40 0.11 -1.07 0.00 0.00 179.97 178.28 2kfs h TRP 101 N -0.51 0.23 -0.79 3.04 5.08 -1.68 -2.60 115.95 118.72 2kfs h TRP 101 Ca -0.04 -0.06 -0.03 0.00 1.08 0.00 0.00 58.89 59.85 2kfs h TRP 101 Cb 0.43 -0.05 -0.04 0.00 -3.00 0.00 0.00 29.16 26.50 2kfs h TRP 101 CO -0.11 0.58 0.39 -0.07 -1.28 0.00 0.00 178.44 177.94 2kfs h LEU 102 N 0.17 1.03 0.00 0.11 3.38 -1.45 -3.09 115.31 115.46 2kfs h LEU 102 Ca 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kfs h LEU 102 Cb 0.79 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.27 2kfs h LEU 102 CO 0.06 0.87 -1.03 0.49 0.09 0.00 0.00 178.44 178.92 2kfs n PHE 103 N -4.37 0.42 -3.03 1.13 3.01 -0.58 -2.62 117.46 111.42 2kfs n PHE 103 Ca 0.07 0.12 -0.40 0.00 1.01 0.00 0.00 57.45 58.25 2kfs n PHE 103 Cb 0.13 -0.57 -0.05 0.00 -0.01 0.00 0.00 39.48 38.98 2kfs n PHE 103 CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 2kfs s THR 104 N -3.25 4.97 0.14 4.37 2.01 -0.99 -4.83 115.64 118.07 2kfs s THR 104 Ca 0.02 1.36 -0.34 0.00 0.31 0.00 0.00 61.69 63.04 2kfs s THR 104 Cb 0.13 -4.02 -0.14 0.00 0.01 0.00 0.00 72.50 68.48 2kfs s THR 104 CO 0.79 0.09 1.55 -2.65 -0.69 0.00 0.00 174.62 173.72 2kfs n PRO 105 N 5.00 1.98 -2.72 4.92 -0.02 -1.26 -4.38 135.00 138.53 2kfs n PRO 105 Ca 0.01 0.71 -0.42 0.00 -2.02 0.00 0.00 63.50 61.78 2kfs n PRO 105 Cb 0.49 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.48 2kfs n PRO 105 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 2kfs s ASP 106 N 0.95 7.24 0.66 2.55 -1.08 -0.13 -4.88 116.67 121.98 2kfs s ASP 106 Ca 0.80 1.52 0.43 0.00 -0.52 0.00 0.00 52.55 54.79 2kfs s ASP 106 Cb -0.73 -2.55 2.35 0.00 -1.46 0.00 0.00 42.92 40.54 2kfs s ASP 106 CO 0.40 -0.40 2.35 1.55 0.52 0.00 0.00 175.17 179.59 2kfs h PRO 107 N 7.05 0.00 -0.08 4.34 0.13 -1.92 -2.42 132.00 139.10 2kfs h PRO 107 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2kfs h PRO 107 Cb 1.16 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 2kfs h PRO 107 CO 0.83 0.00 0.00 0.43 -0.23 0.00 0.00 178.00 179.03 2kfs n SER 108 N -3.14 1.88 -4.53 1.44 7.64 -1.26 -4.73 113.62 110.92 2kfs n SER 108 Ca -0.03 -1.58 -0.37 0.00 1.01 0.00 0.00 58.87 57.89 2kfs n SER 108 Cb 0.08 -0.05 -0.12 0.00 -1.01 0.00 0.00 64.21 63.12 2kfs n SER 108 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2kfs s LEU 109 N -0.69 3.82 -0.09 -3.43 2.96 -0.91 -4.96 118.68 115.37 2kfs s LEU 109 Ca 0.08 -0.10 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 2kfs s LEU 109 Cb 0.05 -2.05 -0.00 0.00 0.50 0.00 0.00 46.19 44.69 2kfs s LEU 109 CO 0.06 -0.05 -0.24 -0.89 -1.32 0.00 0.00 176.35 173.91 2kfs s THR 110 N 1.70 2.05 0.20 3.68 2.01 -1.26 -0.83 115.64 123.20 2kfs s THR 110 Ca 0.07 -1.02 0.10 0.00 0.31 0.00 0.00 61.69 61.14 2kfs s THR 110 Cb -0.16 -1.76 -0.04 0.00 0.01 0.00 0.00 72.50 70.55 2kfs s THR 110 CO 0.08 0.56 -0.12 0.27 -0.69 0.00 0.00 174.62 174.72 2kfs s ILE 111 N 0.24 3.02 0.43 1.82 -4.36 0.43 -4.93 121.20 117.84 2kfs s ILE 111 Ca -0.16 -1.83 -0.04 0.00 -0.26 0.00 0.00 60.65 58.36 2kfs s ILE 111 Cb -0.17 -2.51 -0.04 0.00 1.25 0.00 0.00 42.46 40.99 2kfs s ILE 111 CO 0.08 -0.18 0.71 0.42 0.24 0.00 0.00 174.94 176.21 2kfs s THR 112 N -1.86 4.96 1.08 8.37 -4.23 -1.26 -1.03 115.64 121.66 2kfs s THR 112 Ca 0.26 0.06 -0.14 0.00 -1.18 0.00 0.00 61.69 60.68 2kfs s THR 112 Cb -0.08 -3.85 0.23 0.00 1.34 0.00 0.00 72.50 70.14 2kfs s THR 112 CO 0.15 -0.72 1.08 -0.60 -0.54 0.00 0.00 174.62 174.00 2kfs s ARG 113 N -4.49 -0.22 -0.23 3.99 3.52 -1.26 -3.51 118.95 116.75 2kfs s ARG 113 Ca 0.46 0.40 0.00 0.00 -0.13 0.00 0.00 55.73 56.46 2kfs s ARG 113 Cb -0.10 -1.67 0.00 0.00 -1.56 0.00 0.00 34.95 31.62 2kfs s ARG 113 CO 0.41 -3.14 0.00 -0.25 -0.81 0.00 0.00 175.30 171.50 2kfs n ASP 114 N -4.44 -3.73 0.00 -2.12 8.00 -1.26 -4.51 116.55 108.48 2kfs n ASP 114 Ca 0.06 0.05 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2kfs n ASP 114 Cb 0.58 -1.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.25 2kfs n ASP 114 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kfs n GLY 115 N -2.11 0.08 2.73 0.44 0.00 -1.26 -5.06 105.19 100.01 2kfs n GLY 115 Ca -0.02 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.74 2kfs n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kfs n SER 116 N -1.59 2.57 0.22 1.61 3.41 -1.23 -4.58 113.62 114.04 2kfs n SER 116 Ca 0.00 -2.48 0.08 0.00 -0.26 0.00 0.00 58.87 56.21 2kfs n SER 116 Cb 0.00 0.08 0.50 0.00 -0.26 0.00 0.00 64.21 64.53 2kfs n SER 116 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2kfs h ARG 117 N 0.00 0.00 0.00 4.33 -0.00 -1.96 -3.44 114.38 113.31 2kfs h ARG 117 Ca -0.28 0.00 0.09 0.00 -0.00 0.00 0.00 59.98 59.80 2kfs h ARG 117 Cb 0.93 0.00 -0.02 0.00 -0.00 0.00 0.00 29.97 30.88 2kfs h ARG 117 CO 0.44 0.26 0.25 -3.47 -0.00 0.00 0.00 179.97 177.46 2kfs n ASP 118 N -3.75 -0.39 -4.68 0.08 -0.08 -1.26 -4.85 116.55 101.62 2kfs n ASP 118 Ca -0.01 -1.11 -0.42 0.00 -1.51 0.00 0.00 54.79 51.73 2kfs n ASP 118 Cb 0.37 0.61 -0.03 0.00 2.34 0.00 0.00 41.12 44.40 2kfs n ASP 118 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kfs s ALA 119 N -1.30 3.59 -0.23 -1.67 0.00 -1.26 -4.11 121.76 116.78 2kfs s ALA 119 Ca 0.09 0.84 -0.03 0.00 0.00 0.00 0.00 51.96 52.85 2kfs s ALA 119 Cb -0.00 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.50 2kfs s ALA 119 CO 0.00 -1.00 -0.05 0.08 0.00 0.00 0.00 175.76 174.80 2kfs s VAL 120 N 2.72 3.24 0.08 0.00 1.01 -0.20 -4.93 120.40 122.33 2kfs s VAL 120 Ca 0.64 -0.64 -0.20 0.00 0.00 0.00 0.00 61.98 61.78 2kfs s VAL 120 Cb -0.30 -2.52 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 2kfs s VAL 120 CO 0.25 0.35 0.58 -0.44 0.00 0.00 0.00 175.10 175.85 2kfs s SER 121 N 1.44 7.08 -0.93 3.32 0.01 -1.26 -0.43 113.70 122.93 2kfs s SER 121 Ca 0.04 1.29 -0.03 0.00 1.31 0.00 0.00 55.95 58.56 2kfs s SER 121 Cb -0.15 -2.37 -0.03 0.00 0.21 0.00 0.00 66.02 63.68 2kfs s SER 121 CO -0.04 0.27 0.80 0.59 0.41 0.00 0.00 173.24 175.27 2kfs n ASN 122 N 1.69 -4.32 -4.81 2.44 3.02 -0.01 -4.97 115.26 108.31 2kfs n ASN 122 Ca -0.10 -0.56 -0.36 0.00 -0.03 0.00 0.00 54.58 53.53 2kfs n ASN 122 Cb 0.51 -4.41 -0.06 0.00 -0.61 0.00 0.00 39.78 35.20 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kfs s ALA 123 N -3.32 3.37 0.25 5.41 0.00 -0.32 -4.42 121.76 122.74 2kfs s ALA 123 Ca 0.23 0.21 -0.30 0.00 0.00 0.00 0.00 51.96 52.10 2kfs s ALA 123 Cb -0.03 -2.87 -0.09 0.00 0.00 0.00 0.00 23.12 20.13 2kfs s ALA 123 CO 0.61 0.30 1.03 -0.98 0.00 0.00 0.00 175.76 176.73 2kfs s ARG 124 N -2.05 4.73 0.53 0.00 1.70 -1.26 -0.95 118.95 121.64 2kfs s ARG 124 Ca 0.45 1.66 0.33 0.00 -0.47 0.00 0.00 55.73 57.70 2kfs s ARG 124 Cb -0.17 -3.24 1.49 0.00 -0.57 0.00 0.00 34.95 32.46 2kfs s ARG 124 CO 0.21 0.33 1.84 -1.35 -1.08 0.00 0.00 175.30 175.25 2kfs h PRO 125 N 4.13 0.03 -0.65 3.89 0.11 -1.74 -1.08 132.00 136.70 2kfs h PRO 125 Ca -0.46 -0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kfs h PRO 125 Cb 1.21 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 2kfs h PRO 125 CO 0.68 0.02 0.39 0.28 -0.21 0.00 0.00 178.00 179.16 2kfs h VAL 126 N 0.03 1.19 -0.04 3.15 2.07 -1.84 -0.89 116.25 119.92 2kfs h VAL 126 Ca 0.50 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.50 2kfs h VAL 126 Cb 1.95 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.00 2kfs h VAL 126 CO -0.03 0.19 -0.51 0.44 0.02 0.00 0.00 177.57 177.69 2kfs h ASP 127 N 0.88 0.10 -0.35 0.57 5.19 -1.50 -2.70 116.42 118.61 2kfs h ASP 127 Ca 0.23 -0.05 -0.13 0.00 -0.62 0.00 0.00 57.03 56.47 2kfs h ASP 127 Cb -0.03 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.44 2kfs h ASP 127 CO -0.04 0.60 -0.27 0.00 -3.12 0.00 0.00 179.24 176.40 2kfs h ALA 128 N 1.41 0.51 -0.33 3.45 0.00 -1.13 -1.54 119.26 121.63 2kfs h ALA 128 Ca -0.00 -0.40 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2kfs h ALA 128 Cb 0.93 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 2kfs h ALA 128 CO 0.07 0.52 -0.18 1.37 0.00 0.00 0.00 179.25 181.03 2kfs h LEU 129 N 0.59 0.61 -0.97 0.00 8.10 -1.03 0.98 115.31 123.60 2kfs h LEU 129 Ca 0.07 -0.19 -0.06 0.00 0.11 0.00 0.00 57.88 57.80 2kfs h LEU 129 Cb 0.84 -0.17 -0.01 0.00 -0.44 0.00 0.00 40.66 40.89 2kfs h LEU 129 CO 0.07 0.80 -0.29 -0.74 -4.11 0.00 0.00 178.44 174.18 2kfs h HIS 130 N 0.55 0.00 -0.42 0.17 2.76 -1.40 -2.59 115.15 114.22 2kfs h HIS 130 Ca 0.09 0.00 -0.05 0.00 -2.20 0.00 0.00 60.37 58.21 2kfs h HIS 130 Cb 0.62 0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.55 2kfs h HIS 130 CO 0.03 0.29 0.06 0.00 -1.30 0.00 0.00 177.93 177.00 2kfs n ALA 131 N -2.25 3.59 -2.12 5.26 0.00 -0.59 -4.87 120.51 119.53 2kfs n ALA 131 Ca 0.00 -1.36 -0.18 0.00 0.00 0.00 0.00 53.44 51.90 2kfs n ALA 131 Cb 0.47 -1.12 -0.03 0.00 0.00 0.00 0.00 19.45 18.78 2kfs n ALA 131 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 2kfs n HIS 132 N 0.28 -0.63 -1.21 0.00 -0.00 -0.98 -4.83 115.22 107.85 2kfs n HIS 132 Ca 0.21 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 57.99 2kfs n HIS 132 Cb 0.94 -3.46 0.21 0.00 -0.00 0.00 0.00 29.99 27.68 2kfs n HIS 132 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 2kfs n GLN 133 N -2.67 2.03 0.05 -0.41 6.02 0.26 -4.65 117.38 118.02 2kfs n GLN 133 Ca -0.21 -2.92 0.21 0.00 -0.01 0.00 0.00 57.00 54.08 2kfs n GLN 133 Cb 0.65 -1.72 0.74 0.00 1.02 0.00 0.00 30.24 30.92 2kfs n GLN 133 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kfs h ALA 134 N 1.00 2.26 -0.49 -1.58 0.00 -1.72 -1.35 119.26 117.38 2kfs h ALA 134 Ca 0.06 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2kfs h ALA 134 Cb 1.33 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.10 2kfs h ALA 134 CO 0.18 -0.68 0.15 0.00 0.00 0.00 0.00 179.25 178.90 2kfs h ARG 135 N 0.00 0.30 0.00 0.00 2.47 -1.92 0.12 114.38 115.35 2kfs h ARG 135 Ca 0.23 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.81 2kfs h ARG 135 Cb 1.10 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 29.33 2kfs h ARG 135 CO -0.00 0.20 -0.54 0.93 0.56 0.00 0.00 179.97 181.12 2kfs h GLU 136 N 0.31 0.00 -0.10 0.04 4.39 -1.64 -1.72 114.58 115.87 2kfs h GLU 136 Ca 0.24 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.91 2kfs h GLU 136 Cb 0.28 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2kfs h GLU 136 CO -0.27 0.54 -0.07 0.28 -1.16 0.00 0.00 179.01 178.33 2kfs h VAL 137 N 0.00 1.34 -0.56 3.13 2.07 -1.16 0.17 116.25 121.25 2kfs h VAL 137 Ca -0.01 -1.17 -0.04 0.00 0.82 0.00 0.00 66.70 66.30 2kfs h VAL 137 Cb 1.01 1.91 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 2kfs h VAL 137 CO 0.07 0.33 0.18 0.58 0.02 0.00 0.00 177.57 178.75 2kfs h VAL 138 N -0.17 1.24 -0.60 2.57 2.07 -0.77 -0.19 116.25 120.39 2kfs h VAL 138 Ca 0.02 -0.79 0.03 0.00 0.82 0.00 0.00 66.70 66.78 2kfs h VAL 138 Cb 0.56 0.69 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2kfs h VAL 138 CO 0.02 0.30 0.37 -0.09 0.02 0.00 0.00 177.57 178.19 2kfs h ARG 139 N 0.78 0.71 -0.57 1.57 2.43 -1.22 0.77 114.38 118.85 2kfs h ARG 139 Ca 0.18 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2kfs h ARG 139 Cb 0.27 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.64 2kfs h ARG 139 CO -0.01 0.47 0.07 -0.09 -1.51 0.00 0.00 179.97 178.90 2kfs h ARG 140 N 0.73 0.93 -0.35 0.20 9.65 -0.28 -0.81 114.38 124.45 2kfs h ARG 140 Ca 0.24 -0.24 -0.06 0.00 -1.10 0.00 0.00 59.98 58.82 2kfs h ARG 140 Cb 0.02 -0.11 -0.01 0.00 -1.39 0.00 0.00 29.97 28.47 2kfs h ARG 140 CO -0.10 0.88 -0.01 0.00 2.80 0.00 0.00 179.97 183.54 2kfs h ALA 141 N 1.19 0.48 -0.01 2.80 0.00 -0.25 -0.32 119.26 123.15 2kfs h ALA 141 Ca 0.18 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.83 2kfs h ALA 141 Cb 0.42 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 2kfs h ALA 141 CO 0.01 0.25 0.00 1.96 0.00 0.00 0.00 179.25 181.48 2kfs h GLN 142 N 0.44 0.01 0.00 0.00 4.20 -0.52 -1.79 115.11 117.45 2kfs h GLN 142 Ca 0.10 -0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2kfs h GLN 142 Cb 0.48 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.26 2kfs h GLN 142 CO 0.02 0.03 0.00 0.00 -0.67 0.00 0.00 178.83 178.21 2kfs h ALA 143 N 0.98 1.00 0.22 3.87 0.00 -1.09 0.88 119.26 125.11 2kfs h ALA 143 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.58 2kfs h ALA 143 Cb 0.02 0.00 0.03 0.00 0.00 0.00 0.00 17.79 17.84 2kfs h ALA 143 CO -0.00 0.00 -1.53 1.98 0.00 0.00 0.00 179.25 179.70 2kfs h MET 144 N 0.00 0.46 0.02 0.00 -1.53 -0.49 -3.39 114.93 110.00 2kfs h MET 144 Ca 0.00 -0.78 -0.16 0.00 -3.44 0.00 0.00 59.70 55.32 2kfs h MET 144 Cb 0.43 0.29 -0.02 0.00 -0.55 0.00 0.00 31.60 31.75 2kfs h MET 144 CO 0.00 1.38 -0.84 0.00 0.14 0.00 0.00 176.91 177.58 2kfs h ALA 145 N 0.12 0.15 -0.01 0.39 0.00 -1.05 -3.51 119.26 115.36 2kfs h ALA 145 Ca -0.28 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.69 2kfs h ALA 145 Cb 2.08 0.42 0.00 0.00 0.00 0.00 0.00 17.79 20.30 2kfs h ALA 145 CO 0.22 0.48 0.00 0.66 0.00 0.00 0.00 179.25 180.61