#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 4.38 0.00 0.03 0.04 -1.26 -5.03 135.00 133.16 2kfs s PRO 2 Ca 0.00 1.33 0.00 0.00 0.04 0.00 0.00 61.00 62.37 2kfs s PRO 2 Cb 0.00 -2.58 0.00 0.00 0.04 0.00 0.00 34.50 31.96 2kfs s PRO 2 CO 0.00 0.08 0.00 0.41 0.04 0.00 0.00 177.00 177.53 2kfs n GLY 3 N 0.22 0.62 3.73 0.56 0.00 -1.26 -5.01 105.19 104.04 2kfs n GLY 3 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 2kfs n GLY 3 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kfs s ARG 4 N 0.81 4.48 -0.22 1.61 3.52 -1.26 -4.97 118.95 122.91 2kfs s ARG 4 Ca 0.00 1.82 -0.29 0.00 -0.13 0.00 0.00 55.73 57.13 2kfs s ARG 4 Cb 0.00 -3.28 0.00 0.00 -1.56 0.00 0.00 34.95 30.11 2kfs s ARG 4 CO 0.00 -0.14 1.15 0.00 -0.81 0.00 0.00 175.30 175.51 2kfs s ALA 5 N 0.35 3.62 -0.18 6.12 0.00 -1.26 -4.89 121.76 125.53 2kfs s ALA 5 Ca 0.55 0.25 0.01 0.00 0.00 0.00 0.00 51.96 52.76 2kfs s ALA 5 Cb -0.31 -3.61 0.21 0.00 0.00 0.00 0.00 23.12 19.41 2kfs s ALA 5 CO 0.34 -1.22 1.53 -0.35 0.00 0.00 0.00 175.76 176.06 2kfs n PRO 6 N 6.59 1.48 -0.10 0.00 -0.04 -1.26 -4.10 135.00 137.58 2kfs n PRO 6 Ca 0.13 -1.08 0.12 0.00 -0.04 0.00 0.00 63.50 62.62 2kfs n PRO 6 Cb 0.46 -1.42 0.29 0.00 -0.04 0.00 0.00 33.50 32.78 2kfs n PRO 6 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kfs n GLY 7 N 0.14 0.90 3.54 0.55 0.00 -1.26 -4.87 105.19 104.19 2kfs n GLY 7 Ca 0.21 -0.58 -0.25 0.00 0.00 0.00 0.00 46.02 45.40 2kfs n GLY 7 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kfs s SER 8 N -1.64 4.01 0.04 1.61 1.04 -1.26 -5.09 113.70 112.41 2kfs s SER 8 Ca 0.35 -0.78 -0.30 0.00 0.48 0.00 0.00 55.95 55.69 2kfs s SER 8 Cb 0.20 -0.56 -0.05 0.00 0.10 0.00 0.00 66.02 65.72 2kfs s SER 8 CO 0.30 0.06 1.12 -0.89 0.98 0.00 0.00 173.24 174.80 2kfs s THR 9 N -2.13 4.31 0.45 2.02 2.01 -1.26 -5.01 115.64 116.03 2kfs s THR 9 Ca 0.28 1.66 -0.22 0.00 0.31 0.00 0.00 61.69 63.72 2kfs s THR 9 Cb -0.07 -4.07 -0.08 0.00 0.01 0.00 0.00 72.50 68.30 2kfs s THR 9 CO 0.16 0.13 1.08 -0.76 -0.69 0.00 0.00 174.62 174.54 2kfs s LEU 10 N 1.01 3.99 -0.15 4.42 1.43 -1.26 -5.03 118.68 123.09 2kfs s LEU 10 Ca 0.56 2.09 0.02 0.00 -1.03 0.00 0.00 54.13 55.77 2kfs s LEU 10 Cb -0.27 -4.34 0.01 0.00 0.03 0.00 0.00 46.19 41.62 2kfs s LEU 10 CO 0.29 -0.76 -0.20 0.00 0.23 0.00 0.00 176.35 175.91 2kfs s ALA 11 N -1.73 2.19 -0.24 4.21 0.00 -1.26 -5.07 121.76 119.86 2kfs s ALA 11 Ca 0.63 -1.09 -0.08 0.00 0.00 0.00 0.00 51.96 51.43 2kfs s ALA 11 Cb -0.22 -1.05 -0.03 0.00 0.00 0.00 0.00 23.12 21.81 2kfs s ALA 11 CO 0.27 -0.17 0.09 -0.98 0.00 0.00 0.00 175.76 174.96 2kfs s ARG 12 N 1.05 3.76 -0.20 0.00 1.70 -1.26 -5.08 118.95 118.92 2kfs s ARG 12 Ca -0.02 -0.43 -0.15 0.00 -0.47 0.00 0.00 55.73 54.66 2kfs s ARG 12 Cb -0.14 -3.35 0.06 0.00 -0.57 0.00 0.00 34.95 30.95 2kfs s ARG 12 CO -0.06 -0.09 0.52 0.54 -1.08 0.00 0.00 175.30 175.13 2kfs s VAL 13 N 1.38 -0.01 0.00 4.99 0.11 -1.26 -5.12 120.40 120.48 2kfs s VAL 13 Ca 0.05 0.03 0.00 0.00 -2.93 0.00 0.00 61.98 59.13 2kfs s VAL 13 Cb -0.15 -0.75 0.00 0.00 -1.53 0.00 0.00 36.38 33.95 2kfs s VAL 13 CO 0.04 0.01 0.00 0.61 -3.33 0.00 0.00 175.10 172.43 2kfs n GLY 14 N 3.46 0.50 3.77 6.54 0.00 -1.26 -4.78 105.19 113.42 2kfs n GLY 14 Ca -0.17 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.00 7.41 -0.01 1.61 1.04 -1.26 -4.49 113.70 117.01 2kfs s SER 15 Ca 0.00 1.75 -0.26 0.00 0.48 0.00 0.00 55.95 57.91 2kfs s SER 15 Cb 0.00 -2.54 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2kfs s SER 15 CO 0.00 0.11 0.83 -0.63 0.98 0.00 0.00 173.24 174.53 2kfs s ILE 16 N -1.31 4.88 0.47 -1.02 1.09 -1.26 -4.98 121.20 119.06 2kfs s ILE 16 Ca 0.41 1.74 -0.25 0.00 -1.10 0.00 0.00 60.65 61.46 2kfs s ILE 16 Cb -0.22 -4.17 -0.08 0.00 -1.06 0.00 0.00 42.46 36.93 2kfs s ILE 16 CO 0.27 0.25 1.44 -2.16 -0.10 0.00 0.00 174.94 174.63 2kfs s PRO 17 N 0.64 3.59 -0.15 2.79 0.04 -1.26 -4.80 135.00 135.84 2kfs s PRO 17 Ca 0.43 2.43 -0.27 0.00 0.04 0.00 0.00 61.00 63.64 2kfs s PRO 17 Cb -0.20 -2.60 -0.01 0.00 0.04 0.00 0.00 34.50 31.73 2kfs s PRO 17 CO 0.23 -0.90 0.88 0.00 0.04 0.00 0.00 177.00 177.26 2kfs s ALA 18 N -1.20 3.48 0.00 8.56 0.00 -1.26 -4.72 121.76 126.61 2kfs s ALA 18 Ca 0.63 0.15 0.00 0.00 0.00 0.00 0.00 51.96 52.73 2kfs s ALA 18 Cb -0.44 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.39 2kfs s ALA 18 CO 0.56 -0.62 0.00 0.41 0.00 0.00 0.00 175.76 176.11 2kfs n GLY 19 N 3.33 0.23 3.03 0.00 0.00 -1.26 -4.58 105.19 105.94 2kfs n GLY 19 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2kfs n GLY 19 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2kfs s ASP 20 N -1.00 0.61 0.53 1.61 1.01 -1.26 -4.34 116.67 113.82 2kfs s ASP 20 Ca 0.00 -0.53 -0.06 0.00 0.71 0.00 0.00 52.55 52.67 2kfs s ASP 20 Cb 0.00 0.06 -0.02 0.00 1.01 0.00 0.00 42.92 43.97 2kfs s ASP 20 CO 0.00 -0.25 0.84 1.51 0.21 0.00 0.00 175.17 177.48 2kfs s ASP 21 N -1.54 5.99 -0.05 0.27 -4.77 -0.49 -4.34 116.67 111.74 2kfs s ASP 21 Ca -0.12 0.85 0.07 0.00 -3.30 0.00 0.00 52.55 50.05 2kfs s ASP 21 Cb -0.10 -2.03 0.10 0.00 -1.09 0.00 0.00 42.92 39.80 2kfs s ASP 21 CO -0.00 -0.78 1.03 0.52 0.70 0.00 0.00 175.17 176.64 2kfs n VAL 22 N -2.40 1.25 -3.65 2.11 0.31 -1.26 -5.03 118.33 109.66 2kfs n VAL 22 Ca 0.02 -1.39 -0.07 0.00 -0.01 0.00 0.00 64.34 62.90 2kfs n VAL 22 Cb 0.56 0.26 -0.00 0.00 -0.91 0.00 0.00 33.84 33.75 2kfs n VAL 22 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kfs n LEU 23 N -0.80 0.00 -4.84 7.52 -0.00 -1.26 -4.85 117.00 112.76 2kfs n LEU 23 Ca 0.06 -0.72 -0.37 0.00 -0.00 0.00 0.00 56.01 54.98 2kfs n LEU 23 Cb 0.41 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.76 2kfs n LEU 23 CO 0.00 -0.31 -0.18 -0.62 -0.00 0.00 0.00 177.39 176.28 2kfs s ASP 24 N -1.79 6.31 0.65 1.45 -1.08 -1.26 -4.98 116.67 115.96 2kfs s ASP 24 Ca 0.07 0.41 0.31 0.00 -0.52 0.00 0.00 52.55 52.82 2kfs s ASP 24 Cb -0.01 -2.05 1.68 0.00 -1.46 0.00 0.00 42.92 41.08 2kfs s ASP 24 CO 0.04 0.36 1.98 -0.65 0.52 0.00 0.00 175.17 177.42 2kfs h PRO 25 N 5.32 0.00 0.00 4.34 0.11 -1.99 0.24 132.00 140.02 2kfs h PRO 25 Ca -0.52 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.59 2kfs h PRO 25 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kfs h PRO 25 CO 0.61 0.00 0.00 0.22 -0.21 0.00 0.00 178.00 178.62 2kfs h ASP 26 N 0.00 0.00 -3.96 -2.05 3.58 -2.04 -3.46 116.42 108.48 2kfs h ASP 26 Ca 0.04 0.00 -0.54 0.00 0.42 0.00 0.00 57.03 56.96 2kfs h ASP 26 Cb 0.67 0.00 0.11 0.00 1.72 0.00 0.00 39.33 41.82 2kfs h ASP 26 CO -0.00 0.00 0.70 -1.61 -2.88 0.00 0.00 179.24 175.45 2kfs s GLU 27 N -3.17 3.90 -0.15 0.28 0.41 0.07 -4.85 118.70 115.19 2kfs s GLU 27 Ca 0.09 2.40 -0.34 0.00 -0.41 0.00 0.00 54.97 56.71 2kfs s GLU 27 Cb 0.10 -2.79 -0.11 0.00 -1.78 0.00 0.00 34.13 29.55 2kfs s GLU 27 CO 0.59 -0.64 1.95 -0.35 -0.49 0.00 0.00 175.26 176.32 2kfs n PRO 28 N 0.11 1.94 -4.24 0.39 -0.04 -1.26 -4.93 135.00 126.97 2kfs n PRO 28 Ca 0.03 0.68 -0.14 0.00 -0.04 0.00 0.00 63.50 64.04 2kfs n PRO 28 Cb 0.41 -2.65 -0.10 0.00 -0.04 0.00 0.00 33.50 31.13 2kfs n PRO 28 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2kfs s THR 29 N 4.93 0.91 0.26 0.52 -4.23 -1.26 -1.13 115.64 115.64 2kfs s THR 29 Ca 0.96 -2.01 0.09 0.00 -1.18 0.00 0.00 61.69 59.56 2kfs s THR 29 Cb -0.70 -1.95 -0.04 0.00 1.34 0.00 0.00 72.50 71.14 2kfs s THR 29 CO 0.51 -0.65 -0.00 -0.31 -0.54 0.00 0.00 174.62 173.63 2kfs s TYR 30 N -3.50 2.70 0.24 3.99 2.02 0.14 -4.83 117.35 118.12 2kfs s TYR 30 Ca 0.19 -0.22 0.01 0.00 -0.37 0.00 0.00 57.07 56.68 2kfs s TYR 30 Cb 0.05 -1.20 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 2kfs s TYR 30 CO 0.01 0.62 0.08 -0.51 -1.57 0.00 0.00 175.55 174.19 2kfs s ASP 31 N -3.67 1.15 0.11 2.29 1.11 -1.26 -0.47 116.67 115.92 2kfs s ASP 31 Ca 0.31 -1.35 -0.29 0.00 0.18 0.00 0.00 52.55 51.40 2kfs s ASP 31 Cb -0.06 0.17 -0.10 0.00 1.07 0.00 0.00 42.92 43.99 2kfs s ASP 31 CO 0.20 -0.71 1.62 -0.07 1.18 0.00 0.00 175.17 177.39 2kfs h LEU 32 N 2.44 -0.91 -1.62 1.23 -0.00 -1.99 0.16 115.31 114.62 2kfs h LEU 32 Ca -0.38 0.10 -0.01 0.00 -0.00 0.00 0.00 57.88 57.59 2kfs h LEU 32 Cb 1.24 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 42.22 2kfs h LEU 32 CO 0.61 -0.42 0.10 1.55 -0.00 0.00 0.00 178.44 180.27 2kfs h PRO 33 N -0.58 0.35 -0.43 1.13 0.13 -1.98 -1.70 132.00 128.91 2kfs h PRO 33 Ca 0.02 -0.04 -0.13 0.00 -0.87 0.00 0.00 66.00 64.98 2kfs h PRO 33 Cb 0.59 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.64 2kfs h PRO 33 CO -0.15 0.29 -0.23 -0.09 -0.23 0.00 0.00 178.00 177.59 2kfs h ARG 34 N 0.35 0.92 -0.34 0.86 9.65 -1.78 -0.32 114.38 123.72 2kfs h ARG 34 Ca 0.09 -0.41 -0.14 0.00 -1.10 0.00 0.00 59.98 58.42 2kfs h ARG 34 Cb 0.08 -0.02 -0.01 0.00 -1.39 0.00 0.00 29.97 28.63 2kfs h ARG 34 CO -0.01 1.07 -0.34 0.28 2.80 0.00 0.00 179.97 183.77 2kfs h VAL 35 N 0.75 1.28 -0.70 0.20 2.07 -0.32 0.36 116.25 119.89 2kfs h VAL 35 Ca 0.09 -1.49 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 2kfs h VAL 35 Cb 0.81 1.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.92 2kfs h VAL 35 CO 0.07 0.49 0.36 0.00 0.02 0.00 0.00 177.57 178.50 2kfs h ALA 36 N 0.99 1.30 -0.18 1.67 0.00 -1.17 0.56 119.26 122.43 2kfs h ALA 36 Ca 0.07 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2kfs h ALA 36 Cb 0.87 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 2kfs h ALA 36 CO 0.08 0.55 -0.04 1.49 0.00 0.00 0.00 179.25 181.33 2kfs h GLU 37 N 0.99 0.34 0.02 0.00 4.81 -0.57 -0.28 114.58 119.89 2kfs h GLU 37 Ca 0.25 -0.13 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 2kfs h GLU 37 Cb 0.07 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.43 2kfs h GLU 37 CO -0.04 0.61 -0.01 1.25 -0.73 0.00 0.00 179.01 180.09 2kfs h LEU 38 N 0.06 -0.02 0.00 1.64 5.85 -0.49 -3.09 115.31 119.25 2kfs h LEU 38 Ca 0.05 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2kfs h LEU 38 Cb 0.48 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.52 2kfs h LEU 38 CO 0.02 0.32 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.10 2kfs h LEU 39 N -0.37 0.00 0.64 2.25 3.38 -0.99 -3.47 115.31 116.74 2kfs h LEU 39 Ca -0.00 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2kfs h LEU 39 Cb 0.35 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2kfs h LEU 39 CO 0.00 0.01 -0.12 0.61 0.09 0.00 0.00 178.44 179.04 2kfs n GLY 40 N 1.18 0.19 3.44 0.83 0.00 -0.19 -5.04 105.19 105.59 2kfs n GLY 40 Ca 0.03 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.24 2.35 0.82 1.61 -7.23 -0.76 -5.03 120.40 109.93 2kfs s VAL 41 Ca 0.00 -2.32 -0.11 0.00 -1.81 0.00 0.00 61.98 57.74 2kfs s VAL 41 Cb -0.00 -2.23 0.08 0.00 0.56 0.00 0.00 36.38 34.79 2kfs s VAL 41 CO 0.00 -0.38 1.09 -2.16 -0.31 0.00 0.00 175.10 173.34 2kfs s PRO 42 N -3.39 1.88 0.46 4.82 0.04 -1.26 -4.37 135.00 133.18 2kfs s PRO 42 Ca 0.27 0.88 0.12 0.00 0.04 0.00 0.00 61.00 62.32 2kfs s PRO 42 Cb -0.05 -1.88 1.05 0.00 0.04 0.00 0.00 34.50 33.67 2kfs s PRO 42 CO 0.13 -1.82 2.08 0.28 0.04 0.00 0.00 177.00 177.70 2kfs h VAL 43 N -1.25 1.02 -0.74 -0.36 2.07 -1.95 -1.13 116.25 113.92 2kfs h VAL 43 Ca -0.47 -0.11 0.05 0.00 0.82 0.00 0.00 66.70 67.00 2kfs h VAL 43 Cb 1.26 0.68 -0.05 0.00 -1.52 0.00 0.00 31.29 31.66 2kfs h VAL 43 CO 0.55 0.06 0.44 -1.28 0.02 0.00 0.00 177.57 177.36 2kfs h SER 44 N 0.31 0.68 0.22 0.57 0.87 -1.99 0.11 113.55 114.32 2kfs h SER 44 Ca 0.12 0.02 -0.11 0.00 -1.23 0.00 0.00 61.79 60.59 2kfs h SER 44 Cb 0.10 -0.12 -0.01 0.00 -0.44 0.00 0.00 62.40 61.92 2kfs h SER 44 CO -0.03 0.45 -0.43 0.11 -0.53 0.00 0.00 176.83 176.40 2kfs h LYS 45 N 0.82 0.27 -0.36 2.24 1.57 -1.58 0.02 116.57 119.55 2kfs h LYS 45 Ca 0.32 -0.13 -0.03 0.00 -1.87 0.00 0.00 60.65 58.94 2kfs h LYS 45 Cb 0.14 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 2kfs h LYS 45 CO -0.16 0.65 0.12 0.28 -0.57 0.00 0.00 179.45 179.77 2kfs h VAL 46 N 0.22 1.20 -0.57 0.50 2.07 -1.01 -1.85 116.25 116.82 2kfs h VAL 46 Ca 0.02 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 66.88 2kfs h VAL 46 Cb 0.85 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.55 2kfs h VAL 46 CO 0.07 0.23 0.32 0.00 0.02 0.00 0.00 177.57 178.20 2kfs h ALA 47 N 0.96 1.50 -0.59 1.67 0.00 -0.46 -1.97 119.26 120.37 2kfs h ALA 47 Ca 0.12 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2kfs h ALA 47 Cb 0.23 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.76 2kfs h ALA 47 CO -0.01 0.43 0.32 1.96 0.00 0.00 0.00 179.25 181.95 2kfs h GLN 48 N 0.78 0.83 -0.04 0.00 4.20 -0.50 0.17 115.11 120.56 2kfs h GLN 48 Ca 0.20 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2kfs h GLN 48 Cb 0.01 -0.16 -0.00 0.00 0.30 0.00 0.00 27.48 27.62 2kfs h GLN 48 CO -0.03 0.64 0.02 1.96 -0.67 0.00 0.00 178.83 180.74 2kfs h GLN 49 N 0.80 0.05 -0.65 1.46 1.08 -0.81 -2.52 115.11 114.51 2kfs h GLN 49 Ca 0.21 -0.00 -0.02 0.00 -1.45 0.00 0.00 58.65 57.38 2kfs h GLN 49 Cb 0.05 -0.01 -0.03 0.00 -0.05 0.00 0.00 27.48 27.44 2kfs h GLN 49 CO -0.03 0.04 0.32 -0.07 -0.95 0.00 0.00 178.83 178.14 2kfs h LEU 50 N 0.04 0.85 -1.22 1.46 3.38 -1.08 0.69 115.31 119.43 2kfs h LEU 50 Ca 0.01 -0.12 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2kfs h LEU 50 Cb 0.00 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 2kfs h LEU 50 CO -0.00 0.73 -0.13 0.08 0.09 0.00 0.00 178.44 179.21 2kfs h ARG 51 N 0.90 0.00 -0.35 1.13 0.11 -0.53 -2.67 114.38 112.97 2kfs h ARG 51 Ca 0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.31 2kfs h ARG 51 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 2kfs h ARG 51 CO -0.03 0.13 0.00 0.39 0.10 0.00 0.00 179.97 180.56 2kfs n GLU 52 N -3.27 2.37 -2.79 0.08 1.02 -0.95 -4.02 120.64 113.07 2kfs n GLU 52 Ca 0.00 -2.17 -0.11 0.00 -0.02 0.00 0.00 57.16 54.86 2kfs n GLU 52 Cb 0.38 -1.47 0.03 0.00 -0.02 0.00 0.00 31.44 30.36 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 1.33 0.17 0.02 0.62 0.00 -0.89 -4.91 105.19 101.53 2kfs n GLY 53 Ca 0.17 -0.30 0.11 0.00 0.00 0.00 0.00 46.02 46.00 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 -3.77 0.16 -3.50 1.61 8.25 0.19 -4.52 115.22 113.64 2kfs n HIS 54 Ca -0.03 0.05 -0.16 0.00 -0.26 0.00 0.00 57.72 57.32 2kfs n HIS 54 Cb 0.54 -0.33 -0.05 0.00 1.12 0.00 0.00 29.99 31.27 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 -3.72 -0.61 0.06 2.41 2.96 -1.22 -4.24 118.68 114.32 2kfs s LEU 55 Ca 0.04 0.50 0.03 0.00 -0.22 0.00 0.00 54.13 54.49 2kfs s LEU 55 Cb 0.15 2.51 -0.03 0.00 0.50 0.00 0.00 46.19 49.32 2kfs s LEU 55 CO 0.82 -0.69 -0.10 0.54 -1.32 0.00 0.00 176.35 175.60 2kfs s VAL 56 N -1.88 0.82 0.19 1.68 0.11 -1.26 -4.04 120.40 116.02 2kfs s VAL 56 Ca -0.07 -1.30 0.10 0.00 -2.93 0.00 0.00 61.98 57.79 2kfs s VAL 56 Cb -0.00 -0.95 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2kfs s VAL 56 CO 0.03 -0.38 -0.22 0.00 -3.33 0.00 0.00 175.10 171.21 2kfs s ALA 57 N -1.63 2.35 0.29 1.54 0.00 -1.26 -4.78 121.76 118.27 2kfs s ALA 57 Ca -0.03 -1.60 0.03 0.00 0.00 0.00 0.00 51.96 50.35 2kfs s ALA 57 Cb -0.08 -0.27 -0.06 0.00 0.00 0.00 0.00 23.12 22.71 2kfs s ALA 57 CO 0.01 0.35 0.06 0.14 0.00 0.00 0.00 175.76 176.32 2kfs s VAL 58 N -1.86 0.96 -0.23 0.00 -7.23 0.22 -4.50 120.40 107.76 2kfs s VAL 58 Ca 0.19 -2.01 -0.06 0.00 -1.81 0.00 0.00 61.98 58.29 2kfs s VAL 58 Cb -0.07 -2.67 -0.03 0.00 0.56 0.00 0.00 36.38 34.18 2kfs s VAL 58 CO 0.09 -0.06 0.04 -0.60 -0.31 0.00 0.00 175.10 174.26 2kfs s ARG 59 N -3.93 3.62 -0.27 4.82 3.52 -1.26 -0.03 118.95 125.42 2kfs s ARG 59 Ca 0.36 -0.50 -0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2kfs s ARG 59 Cb 0.08 -3.23 0.04 0.00 -1.56 0.00 0.00 34.95 30.28 2kfs s ARG 59 CO 0.14 -0.13 -0.04 0.50 -0.81 0.00 0.00 175.30 174.95 2kfs s ARG 60 N 1.42 2.63 0.00 5.12 3.52 0.10 -1.40 118.95 130.35 2kfs s ARG 60 Ca 0.05 -1.12 0.00 0.00 -0.13 0.00 0.00 55.73 54.54 2kfs s ARG 60 Cb -0.15 -3.05 0.00 0.00 -1.56 0.00 0.00 34.95 30.19 2kfs s ARG 60 CO 0.02 -0.50 0.00 0.00 -0.81 0.00 0.00 175.30 174.02 2kfs n ALA 61 N 4.63 0.00 -0.62 6.12 0.00 -1.26 -0.49 120.51 128.89 2kfs n ALA 61 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 2kfs n ALA 61 Cb 0.45 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.90 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 0.00 0.07 3.28 0.00 0.00 -1.26 -5.15 105.19 102.14 2kfs n GLY 62 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.82 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 0.00 1.23 -0.27 -0.02 0.00 0.36 -5.11 107.32 103.50 2kfs s GLY 63 Ca 0.00 -1.39 -0.14 0.00 0.00 0.00 0.00 44.72 43.19 2kfs s GLY 63 CO 0.00 -1.44 0.32 0.14 0.00 0.00 0.00 173.10 172.12 2kfs s VAL 64 N -2.11 5.21 0.14 1.40 1.01 -1.26 0.02 120.40 124.81 2kfs s VAL 64 Ca 0.12 0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.57 2kfs s VAL 64 Cb -0.05 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 2kfs s VAL 64 CO 0.05 0.19 0.01 0.68 0.00 0.00 0.00 175.10 176.03 2kfs s VAL 65 N 1.97 0.43 -0.13 2.92 -7.23 0.96 -4.36 120.40 114.95 2kfs s VAL 65 Ca 0.13 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.38 2kfs s VAL 65 Cb -0.16 -2.01 0.02 0.00 0.56 0.00 0.00 36.38 34.79 2kfs s VAL 65 CO 0.10 -0.55 -0.17 -0.63 -0.31 0.00 0.00 175.10 173.55 2kfs s ILE 66 N -3.82 1.67 0.45 -0.62 1.09 0.38 -0.61 121.20 119.74 2kfs s ILE 66 Ca 0.22 -0.73 -0.25 0.00 -1.10 0.00 0.00 60.65 58.78 2kfs s ILE 66 Cb 0.07 -1.52 -0.08 0.00 -1.06 0.00 0.00 42.46 39.87 2kfs s ILE 66 CO 0.01 0.47 1.36 -2.84 -0.10 0.00 0.00 174.94 173.85 2kfs s PRO 67 N 1.06 3.71 0.29 2.79 0.02 -1.26 0.28 135.00 141.89 2kfs s PRO 67 Ca -0.04 2.27 0.04 0.00 0.02 0.00 0.00 61.00 63.30 2kfs s PRO 67 Cb -0.15 -2.62 0.73 0.00 0.02 0.00 0.00 34.50 32.49 2kfs s PRO 67 CO -0.04 -0.75 1.72 0.37 -0.33 0.00 0.00 177.00 177.97 2kfs h GLN 68 N 2.31 0.47 0.00 5.54 5.75 -1.45 -0.80 115.11 126.92 2kfs h GLN 68 Ca -0.50 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 57.97 2kfs h GLN 68 Cb 1.26 -0.11 0.00 0.00 1.07 0.00 0.00 27.48 29.71 2kfs h GLN 68 CO 0.61 0.31 0.00 1.33 -2.65 0.00 0.00 178.83 178.43 2kfs n VAL 69 N -4.98 1.09 1.29 2.39 0.24 -1.26 -0.93 118.33 116.17 2kfs n VAL 69 Ca 0.22 0.27 0.13 0.00 -2.04 0.00 0.00 64.34 62.93 2kfs n VAL 69 Cb 0.64 -1.13 0.45 0.00 -1.47 0.00 0.00 33.84 32.32 2kfs n VAL 69 CO 0.00 0.00 0.00 0.49 -2.14 0.00 0.00 176.83 175.18 2kfs n PHE 70 N -1.38 0.00 -4.40 6.34 3.01 -0.31 -4.64 117.46 116.09 2kfs n PHE 70 Ca 0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.25 2kfs n PHE 70 Cb 0.08 -0.14 -0.09 0.00 -0.01 0.00 0.00 39.48 39.31 2kfs n PHE 70 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2kfs s PHE 71 N -2.50 2.44 0.78 1.38 0.40 -0.11 -3.38 117.98 117.00 2kfs s PHE 71 Ca 0.25 -0.29 -0.07 0.00 -0.60 0.00 0.00 56.93 56.23 2kfs s PHE 71 Cb 0.19 -1.08 0.13 0.00 0.51 0.00 0.00 43.02 42.77 2kfs s PHE 71 CO 0.51 0.66 1.09 0.95 0.70 0.00 0.00 175.22 179.13 2kfs s THR 72 N -2.35 2.15 0.48 0.64 -4.23 0.85 -4.87 115.64 108.32 2kfs s THR 72 Ca 0.30 -0.34 0.36 0.00 -1.18 0.00 0.00 61.69 60.82 2kfs s THR 72 Cb -0.06 -2.80 0.38 0.00 1.34 0.00 0.00 72.50 71.36 2kfs s THR 72 CO 0.16 0.00 2.20 -1.13 -0.54 0.00 0.00 174.62 175.31 2kfs h ASN 73 N -0.85 0.00 1.03 3.99 -0.00 -1.89 0.20 115.58 118.06 2kfs h ASN 73 Ca -0.41 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.89 2kfs h ASN 73 Cb 1.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.59 2kfs h ASN 73 CO 0.45 0.03 0.00 -0.24 -0.00 0.00 0.00 177.43 177.67 2kfs n SER 74 N -3.35 0.09 0.00 1.15 2.88 -1.26 -4.89 113.62 108.24 2kfs n SER 74 Ca -0.02 0.51 0.00 0.00 -1.33 0.00 0.00 58.87 58.03 2kfs n SER 74 Cb 0.16 -0.53 0.00 0.00 -0.75 0.00 0.00 64.21 63.09 2kfs n SER 74 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2kfs n GLY 75 N 1.41 0.50 3.45 0.46 0.00 0.06 -5.06 105.19 106.01 2kfs n GLY 75 Ca 0.07 -0.83 -0.28 0.00 0.00 0.00 0.00 46.02 44.98 2kfs n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kfs s GLN 76 N -3.69 1.64 0.12 1.61 -0.44 -1.26 -4.74 119.66 112.90 2kfs s GLN 76 Ca 0.00 -1.33 -0.31 0.00 -2.50 0.00 0.00 55.36 51.22 2kfs s GLN 76 Cb 0.00 -1.99 -0.07 0.00 -1.64 0.00 0.00 33.01 29.31 2kfs s GLN 76 CO 0.00 0.44 1.28 0.08 0.50 0.00 0.00 175.29 177.60 2kfs s VAL 77 N -1.32 3.58 0.10 1.34 1.01 -1.26 -0.10 120.40 123.74 2kfs s VAL 77 Ca 0.18 1.18 -0.32 0.00 0.00 0.00 0.00 61.98 63.02 2kfs s VAL 77 Cb -0.09 -3.76 -0.12 0.00 0.00 0.00 0.00 36.38 32.41 2kfs s VAL 77 CO 0.09 0.12 1.77 0.52 0.00 0.00 0.00 175.10 177.61 2kfs n VAL 78 N 3.51 0.28 -0.13 2.92 0.31 -1.22 -4.87 118.33 119.13 2kfs n VAL 78 Ca 0.09 -0.05 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 2kfs n VAL 78 Cb 0.44 -1.92 0.27 0.00 -0.91 0.00 0.00 33.84 31.72 2kfs n VAL 78 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2kfs h LYS 79 N 7.85 0.82 -0.00 5.55 3.64 -1.95 -1.94 116.57 130.53 2kfs h LYS 79 Ca -0.46 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 58.83 2kfs h LYS 79 Cb 1.24 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 32.90 2kfs h LYS 79 CO 0.93 0.62 -0.13 0.45 -2.27 0.00 0.00 179.45 179.05 2kfs n SER 80 N -4.37 0.51 -0.03 4.20 2.88 -1.26 -4.06 113.62 111.49 2kfs n SER 80 Ca 0.05 -0.55 -0.12 0.00 -1.33 0.00 0.00 58.87 56.92 2kfs n SER 80 Cb 0.11 -0.06 -0.07 0.00 -0.75 0.00 0.00 64.21 63.45 2kfs n SER 80 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 2kfs h LEU 81 N 0.59 0.20 -1.94 2.46 6.46 -1.71 -2.78 115.31 118.59 2kfs h LEU 81 Ca 0.00 -0.30 0.17 0.00 -0.12 0.00 0.00 57.88 57.63 2kfs h LEU 81 Cb 0.38 -0.05 -0.03 0.00 -0.73 0.00 0.00 40.66 40.23 2kfs h LEU 81 CO 0.00 0.45 0.44 -0.65 -0.62 0.00 0.00 178.44 178.06 2kfs h PRO 82 N -0.06 0.05 -0.72 5.25 0.11 -1.73 -1.04 132.00 133.86 2kfs h PRO 82 Ca 0.03 -0.00 -0.03 0.00 0.11 0.00 0.00 66.00 66.11 2kfs h PRO 82 Cb 0.35 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.42 2kfs h PRO 82 CO 0.01 0.04 0.33 0.78 -0.21 0.00 0.00 178.00 178.94 2kfs h GLY 83 N 0.05 1.13 1.09 -0.55 0.00 -1.72 0.11 103.07 103.18 2kfs h GLY 83 Ca 0.29 -0.57 -0.13 0.00 0.00 0.00 0.00 47.33 46.92 2kfs h GLY 83 CO -0.02 0.54 -0.22 0.17 0.00 0.00 0.00 176.54 177.01 2kfs h LEU 84 N 1.02 0.99 -0.92 3.11 8.10 -1.12 -2.85 115.31 123.63 2kfs h LEU 84 Ca 0.25 -0.40 -0.02 0.00 0.11 0.00 0.00 57.88 57.82 2kfs h LEU 84 Cb 0.14 -0.27 -0.04 0.00 -0.44 0.00 0.00 40.66 40.05 2kfs h LEU 84 CO -0.03 1.17 0.50 -0.07 -4.11 0.00 0.00 178.44 175.91 2kfs h LEU 85 N 0.80 1.13 -0.34 0.17 3.38 -1.05 -1.71 115.31 117.70 2kfs h LEU 85 Ca 0.10 -0.10 0.03 0.00 0.09 0.00 0.00 57.88 58.00 2kfs h LEU 85 Cb 0.80 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 2kfs h LEU 85 CO 0.07 0.90 0.14 0.74 0.09 0.00 0.00 178.44 180.38 2kfs h THR 86 N 1.27 0.95 -0.33 0.22 2.02 -0.57 0.27 112.91 116.74 2kfs h THR 86 Ca 0.32 -0.10 -0.10 0.00 0.77 0.00 0.00 66.41 67.30 2kfs h THR 86 Cb 0.02 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 2kfs h THR 86 CO -0.05 0.06 -0.19 -0.29 0.37 0.00 0.00 175.52 175.42 2kfs h ILE 87 N 0.30 1.29 -0.44 3.11 -0.00 -1.27 -1.96 117.51 118.54 2kfs h ILE 87 Ca 0.15 -1.31 -0.10 0.00 -0.00 0.00 0.00 64.86 63.60 2kfs h ILE 87 Cb 0.09 1.43 -0.02 0.00 -0.00 0.00 0.00 36.82 38.33 2kfs h ILE 87 CO -0.13 0.42 -0.12 -0.07 -0.00 0.00 0.00 178.15 178.26 2kfs h LEU 88 N 0.47 0.79 -1.20 2.19 -0.00 -1.00 -2.03 115.31 114.53 2kfs h LEU 88 Ca 0.07 -0.24 -0.07 0.00 -0.00 0.00 0.00 57.88 57.64 2kfs h LEU 88 Cb 0.73 -0.21 -0.01 0.00 -0.00 0.00 0.00 40.66 41.16 2kfs h LEU 88 CO 0.05 0.93 -0.19 0.45 -0.00 0.00 0.00 178.44 179.68 2kfs h HIS 89 N 0.72 0.34 -0.01 1.13 3.86 -0.43 -0.22 115.15 120.54 2kfs h HIS 89 Ca 0.12 -0.05 -0.08 0.00 -1.16 0.00 0.00 60.37 59.19 2kfs h HIS 89 Cb 0.61 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.98 2kfs h HIS 89 CO 0.03 0.50 -0.39 0.22 0.86 0.00 0.00 177.93 179.15 2kfs h ASP 90 N 0.29 0.02 0.63 2.45 3.58 -0.82 -2.57 116.42 120.00 2kfs h ASP 90 Ca 0.05 -0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.49 2kfs h ASP 90 Cb 0.51 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.55 2kfs h ASP 90 CO 0.03 0.41 -0.30 0.61 -2.88 0.00 0.00 179.24 177.11 2kfs n GLY 91 N -0.40 -1.27 1.11 -0.78 0.00 -0.65 -4.94 105.19 98.26 2kfs n GLY 91 Ca -0.02 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 1.01 3.73 -0.02 0.00 -0.50 -5.04 105.19 105.84 2kfs n GLY 92 Ca 0.07 -0.50 -0.35 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.18 3.42 0.75 1.61 1.51 -0.21 -5.01 117.35 117.23 2kfs s TYR 93 Ca 0.00 0.41 -0.06 0.00 -1.01 0.00 0.00 57.07 56.41 2kfs s TYR 93 Cb 0.00 -2.22 0.11 0.00 -0.11 0.00 0.00 41.96 39.73 2kfs s TYR 93 CO 0.00 0.26 1.05 -0.98 -1.11 0.00 0.00 175.55 174.77 2kfs s ARG 94 N 0.43 1.74 0.21 -0.62 1.70 -1.26 -4.40 118.95 116.75 2kfs s ARG 94 Ca 0.11 -0.63 -0.09 0.00 -0.47 0.00 0.00 55.73 54.65 2kfs s ARG 94 Cb -0.12 -2.19 0.31 0.00 -0.57 0.00 0.00 34.95 32.39 2kfs s ARG 94 CO 0.00 -1.50 1.73 0.38 -1.08 0.00 0.00 175.30 174.83 2kfs h ASP 95 N -0.72 0.15 -0.61 -2.89 2.03 -1.91 -0.10 116.42 112.37 2kfs h ASP 95 Ca -0.41 0.10 -0.07 0.00 -0.73 0.00 0.00 57.03 55.92 2kfs h ASP 95 Cb 1.28 0.10 -0.02 0.00 -0.83 0.00 0.00 39.33 39.86 2kfs h ASP 95 CO 0.48 0.08 0.12 0.74 -1.03 0.00 0.00 179.24 179.63 2kfs h THR 96 N 0.36 1.26 -0.70 1.15 2.02 -1.91 -2.75 112.91 112.34 2kfs h THR 96 Ca 0.33 -0.96 -0.02 0.00 0.77 0.00 0.00 66.41 66.53 2kfs h THR 96 Cb 0.45 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.54 2kfs h THR 96 CO -0.36 0.36 0.37 -0.33 0.37 0.00 0.00 175.52 175.93 2kfs h GLU 97 N 0.90 0.97 -0.23 6.66 4.39 -1.41 -1.44 114.58 124.43 2kfs h GLU 97 Ca 0.19 -0.12 -0.00 0.00 0.34 0.00 0.00 59.36 59.77 2kfs h GLU 97 Cb 0.39 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2kfs h GLU 97 CO 0.01 0.74 0.14 0.82 -1.16 0.00 0.00 179.01 179.55 2kfs h ILE 98 N 0.96 1.09 0.00 3.13 1.08 -0.97 -2.25 117.51 120.55 2kfs h ILE 98 Ca 0.24 -0.22 0.00 0.00 -0.39 0.00 0.00 64.86 64.49 2kfs h ILE 98 Cb 0.05 0.83 0.00 0.00 -3.07 0.00 0.00 36.82 34.63 2kfs h ILE 98 CO -0.04 0.09 0.00 0.24 -0.69 0.00 0.00 178.15 177.75 2kfs h MET 99 N 0.28 0.00 0.30 2.37 2.86 -1.21 -3.09 114.93 116.44 2kfs h MET 99 Ca 0.08 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.71 2kfs h MET 99 Cb 0.02 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2kfs h MET 99 CO -0.02 0.00 -0.26 0.00 1.06 0.00 0.00 176.91 177.70 2kfs h ARG 100 N 0.00 -0.52 -0.09 1.72 3.08 -0.63 0.13 114.38 118.07 2kfs h ARG 100 Ca 0.00 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.98 2kfs h ARG 100 Cb 0.63 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.79 2kfs h ARG 100 CO 0.00 -0.35 -0.41 0.11 -1.07 0.00 0.00 179.97 178.26 2kfs h TRP 101 N -0.54 0.22 -0.60 3.04 5.08 -1.67 -3.07 115.95 118.41 2kfs h TRP 101 Ca -0.04 -0.06 -0.10 0.00 1.08 0.00 0.00 58.89 59.77 2kfs h TRP 101 Cb 0.46 -0.05 -0.02 0.00 -3.00 0.00 0.00 29.16 26.55 2kfs h TRP 101 CO -0.11 0.57 -0.02 -0.07 -1.28 0.00 0.00 178.44 177.53 2kfs h LEU 102 N 0.16 1.05 0.00 0.11 3.38 -1.43 -3.24 115.31 115.34 2kfs h LEU 102 Ca 0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kfs h LEU 102 Cb 0.79 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2kfs h LEU 102 CO 0.06 1.11 -0.64 0.49 0.09 0.00 0.00 178.44 179.55 2kfs n PHE 103 N -4.17 0.19 -2.36 1.13 3.01 0.44 -2.55 117.46 113.15 2kfs n PHE 103 Ca 0.03 0.05 -0.43 0.00 1.01 0.00 0.00 57.45 58.11 2kfs n PHE 103 Cb 0.36 -0.38 -0.02 0.00 -0.01 0.00 0.00 39.48 39.43 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 -3.08 4.03 0.22 4.37 2.01 -1.16 -4.80 115.64 117.22 2kfs s THR 104 Ca 0.08 1.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.92 2kfs s THR 104 Cb 0.16 -4.09 -0.10 0.00 0.01 0.00 0.00 72.50 68.48 2kfs s THR 104 CO 0.73 -0.49 1.53 -2.84 -0.69 0.00 0.00 174.62 172.86 2kfs s PRO 105 N 4.38 4.22 -0.20 4.92 0.02 -1.26 -4.30 135.00 142.78 2kfs s PRO 105 Ca 0.60 2.38 0.00 0.00 0.02 0.00 0.00 61.00 64.00 2kfs s PRO 105 Cb -0.17 -3.12 0.02 0.00 0.02 0.00 0.00 34.50 31.25 2kfs s PRO 105 CO 0.26 -0.55 -0.15 0.34 -0.33 0.00 0.00 177.00 176.56 2kfs s ASP 106 N 0.77 3.58 0.59 2.53 2.15 -0.22 -4.90 116.67 121.16 2kfs s ASP 106 Ca 0.65 -0.76 0.30 0.00 0.43 0.00 0.00 52.55 53.18 2kfs s ASP 106 Cb -0.44 -1.54 1.82 0.00 -0.30 0.00 0.00 42.92 42.46 2kfs s ASP 106 CO 0.38 -0.04 2.24 -0.65 -0.17 0.00 0.00 175.17 176.93 2kfs h PRO 107 N 7.94 0.00 0.00 4.34 0.11 -1.90 -0.65 132.00 141.84 2kfs h PRO 107 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 2kfs h PRO 107 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2kfs h PRO 107 CO 0.60 0.01 0.00 0.43 -0.21 0.00 0.00 178.00 178.84 2kfs n SER 108 N -3.78 0.01 -4.46 -2.05 7.64 -1.26 -4.11 113.62 105.61 2kfs n SER 108 Ca -0.03 0.50 -0.34 0.00 1.01 0.00 0.00 58.87 60.02 2kfs n SER 108 Cb 0.10 -0.50 -0.13 0.00 -1.01 0.00 0.00 64.21 62.67 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 -3.02 3.11 -0.14 -3.43 2.96 -0.26 -5.00 118.68 112.91 2kfs s LEU 109 Ca 0.13 -0.19 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 2kfs s LEU 109 Cb 0.18 -1.74 0.01 0.00 0.50 0.00 0.00 46.19 45.13 2kfs s LEU 109 CO 0.49 0.15 -0.20 -0.89 -1.32 0.00 0.00 176.35 174.59 2kfs s THR 110 N 0.44 2.22 0.13 3.68 2.01 -1.26 -0.33 115.64 122.53 2kfs s THR 110 Ca -0.05 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.08 2kfs s THR 110 Cb -0.15 -1.90 -0.04 0.00 0.01 0.00 0.00 72.50 70.42 2kfs s THR 110 CO 0.03 0.54 -0.12 -0.63 -0.69 0.00 0.00 174.62 173.76 2kfs s ILE 111 N 0.82 1.19 -0.02 1.82 1.01 0.74 -4.90 121.20 121.86 2kfs s ILE 111 Ca -0.06 -1.83 0.01 0.00 0.00 0.00 0.00 60.65 58.77 2kfs s ILE 111 Cb -0.15 -1.61 0.01 0.00 0.01 0.00 0.00 42.46 40.71 2kfs s ILE 111 CO -0.02 -0.57 -0.05 0.42 0.00 0.00 0.00 174.94 174.72 2kfs s THR 112 N -2.65 0.45 0.34 2.92 -4.23 -1.26 -1.07 115.64 110.15 2kfs s THR 112 Ca 0.11 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.52 2kfs s THR 112 Cb -0.02 -0.43 -0.03 0.00 1.34 0.00 0.00 72.50 73.36 2kfs s THR 112 CO 0.02 0.16 0.28 -0.13 -0.54 0.00 0.00 174.62 174.41 2kfs s ARG 113 N 0.33 2.67 -0.49 3.99 0.52 -1.17 -4.76 118.95 120.04 2kfs s ARG 113 Ca -0.04 -1.34 -0.28 0.00 -0.52 0.00 0.00 55.73 53.55 2kfs s ARG 113 Cb -0.08 -2.44 -0.01 0.00 0.52 0.00 0.00 34.95 32.95 2kfs s ARG 113 CO -0.00 0.07 1.70 -0.51 0.02 0.00 0.00 175.30 176.58 2kfs s ASP 114 N -3.99 5.77 0.00 0.23 1.11 -1.26 -1.23 116.67 117.30 2kfs s ASP 114 Ca 0.41 0.70 0.00 0.00 0.18 0.00 0.00 52.55 53.84 2kfs s ASP 114 Cb -0.05 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.41 2kfs s ASP 114 CO 0.26 -1.92 0.00 0.61 1.18 0.00 0.00 175.17 175.31 2kfs n GLY 115 N 5.45 1.79 2.72 0.21 0.00 -1.26 -5.04 105.19 109.06 2kfs n GLY 115 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.92 2kfs n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kfs s SER 116 N -1.52 3.76 0.34 1.61 0.01 -0.36 -4.96 113.70 112.57 2kfs s SER 116 Ca 0.00 -2.34 0.26 0.00 1.31 0.00 0.00 55.95 55.18 2kfs s SER 116 Cb 0.00 -0.98 0.80 0.00 0.21 0.00 0.00 66.02 66.04 2kfs s SER 116 CO 0.00 -0.31 1.75 0.08 0.41 0.00 0.00 173.24 175.17 2kfs h ARG 117 N 7.12 0.00 -6.82 12.44 -0.00 -1.97 -3.10 114.38 122.05 2kfs h ARG 117 Ca -0.04 0.00 -0.51 0.00 -0.00 0.00 0.00 59.98 59.43 2kfs h ARG 117 Cb 0.96 0.00 0.03 0.00 -0.00 0.00 0.00 29.97 30.95 2kfs h ARG 117 CO 0.47 0.00 0.50 0.34 -0.00 0.00 0.00 179.97 181.28 2kfs s ASP 118 N -5.15 7.17 -0.10 0.08 2.15 -1.26 -4.96 116.67 114.60 2kfs s ASP 118 Ca 0.07 2.34 -0.30 0.00 0.43 0.00 0.00 52.55 55.10 2kfs s ASP 118 Cb 0.09 -2.63 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 2kfs s ASP 118 CO 0.57 -0.22 1.14 0.00 -0.17 0.00 0.00 175.17 176.49 2kfs s ALA 119 N -1.16 3.51 -0.27 3.66 0.00 -1.26 -4.73 121.76 121.51 2kfs s ALA 119 Ca 0.45 0.49 -0.08 0.00 0.00 0.00 0.00 51.96 52.82 2kfs s ALA 119 Cb -0.33 -3.51 -0.01 0.00 0.00 0.00 0.00 23.12 19.26 2kfs s ALA 119 CO 0.43 -0.81 0.09 0.08 0.00 0.00 0.00 175.76 175.55 2kfs s VAL 120 N 2.44 4.28 0.11 0.00 1.01 -0.23 -4.94 120.40 123.07 2kfs s VAL 120 Ca 0.52 -0.36 -0.16 0.00 0.00 0.00 0.00 61.98 61.98 2kfs s VAL 120 Cb -0.22 -3.10 -0.07 0.00 0.00 0.00 0.00 36.38 33.00 2kfs s VAL 120 CO 0.18 0.21 0.54 -0.44 0.00 0.00 0.00 175.10 175.59 2kfs s SER 121 N 1.58 6.90 -0.19 3.32 0.01 -1.26 -0.18 113.70 123.88 2kfs s SER 121 Ca 0.05 1.12 -0.01 0.00 1.31 0.00 0.00 55.95 58.42 2kfs s SER 121 Cb -0.16 -2.31 0.00 0.00 0.21 0.00 0.00 66.02 63.77 2kfs s SER 121 CO 0.04 0.18 0.19 -3.20 0.41 0.00 0.00 173.24 170.86 2kfs n ASN 122 N 1.18 -3.65 -4.54 2.44 5.15 0.55 -4.97 115.26 111.42 2kfs n ASN 122 Ca -0.08 0.02 -0.27 0.00 -0.60 0.00 0.00 54.58 53.65 2kfs n ASN 122 Cb 0.52 -2.22 -0.10 0.00 -0.53 0.00 0.00 39.78 37.44 2kfs n ASN 122 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kfs s ALA 123 N -2.65 3.13 0.08 5.20 0.00 -1.22 -4.76 121.76 121.53 2kfs s ALA 123 Ca 0.02 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.17 2kfs s ALA 123 Cb -0.00 0.34 -0.06 0.00 0.00 0.00 0.00 23.12 23.40 2kfs s ALA 123 CO 0.21 -0.18 0.45 -0.98 0.00 0.00 0.00 175.76 175.26 2kfs s ARG 124 N -3.80 3.86 0.60 0.00 1.70 -1.26 -1.06 118.95 119.00 2kfs s ARG 124 Ca 0.28 0.33 0.29 0.00 -0.47 0.00 0.00 55.73 56.15 2kfs s ARG 124 Cb 0.07 -3.04 1.36 0.00 -0.57 0.00 0.00 34.95 32.77 2kfs s ARG 124 CO 0.14 0.57 1.75 -1.35 -1.08 0.00 0.00 175.30 175.33 2kfs h PRO 125 N 3.92 0.00 -0.18 3.89 0.11 -1.68 0.96 132.00 139.02 2kfs h PRO 125 Ca -0.50 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 2kfs h PRO 125 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2kfs h PRO 125 CO 0.65 0.00 -0.10 0.28 -0.21 0.00 0.00 178.00 178.62 2kfs h VAL 126 N 0.00 1.17 -0.08 3.15 2.07 -1.87 -1.84 116.25 118.84 2kfs h VAL 126 Ca 0.28 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 67.07 2kfs h VAL 126 Cb 1.62 1.15 -0.00 0.00 -1.52 0.00 0.00 31.29 32.53 2kfs h VAL 126 CO -0.00 0.23 0.03 0.44 0.02 0.00 0.00 177.57 178.29 2kfs h ASP 127 N 0.26 0.10 -0.25 0.57 3.32 -1.12 -1.52 116.42 117.79 2kfs h ASP 127 Ca 0.06 -0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.01 2kfs h ASP 127 Cb 0.34 -0.02 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2kfs h ASP 127 CO 0.02 0.09 -0.22 0.00 -1.72 0.00 0.00 179.24 177.41 2kfs h ALA 128 N 1.92 0.36 -0.14 3.45 0.00 -1.44 -2.16 119.26 121.25 2kfs h ALA 128 Ca 0.03 -0.36 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2kfs h ALA 128 Cb 0.03 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 2kfs h ALA 128 CO -0.00 0.31 -0.48 1.37 0.00 0.00 0.00 179.25 180.45 2kfs h LEU 129 N 0.30 0.40 -1.78 0.00 8.10 -1.32 0.44 115.31 121.44 2kfs h LEU 129 Ca 0.04 -0.19 0.00 0.00 0.11 0.00 0.00 57.88 57.84 2kfs h LEU 129 Cb 0.77 -0.11 0.00 0.00 -0.44 0.00 0.00 40.66 40.87 2kfs h LEU 129 CO 0.06 0.82 0.00 -0.74 -4.11 0.00 0.00 178.44 174.47 2kfs h HIS 130 N 0.30 0.00 -0.50 0.17 2.76 -1.26 -1.50 115.15 115.12 2kfs h HIS 130 Ca 0.02 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.19 2kfs h HIS 130 Cb 0.95 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.91 2kfs h HIS 130 CO 0.03 0.00 0.00 0.00 -1.30 0.00 0.00 177.93 176.66 2kfs n ALA 131 N -2.06 2.28 -2.24 5.26 0.00 -0.64 -4.86 120.51 118.25 2kfs n ALA 131 Ca -0.00 -1.19 -0.19 0.00 0.00 0.00 0.00 53.44 52.06 2kfs n ALA 131 Cb 0.24 -0.66 -0.02 0.00 0.00 0.00 0.00 19.45 19.01 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 1.03 -0.77 -1.16 0.00 -0.00 -0.56 -4.85 115.22 108.92 2kfs n HIS 132 Ca 0.17 0.00 -0.04 0.00 -0.00 0.00 0.00 57.72 57.86 2kfs n HIS 132 Cb 0.51 -3.66 0.26 0.00 -0.00 0.00 0.00 29.99 27.10 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 -2.78 2.90 0.02 -0.41 6.02 0.14 -4.74 117.38 118.53 2kfs n GLN 133 Ca -0.22 -3.05 0.22 0.00 -0.01 0.00 0.00 57.00 53.94 2kfs n GLN 133 Cb 0.67 -2.02 0.73 0.00 1.02 0.00 0.00 30.24 30.63 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 1.86 2.32 -0.85 -1.58 0.00 -1.82 -2.68 119.26 116.52 2kfs h ALA 134 Ca 0.22 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2kfs h ALA 134 Cb 1.99 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 2kfs h ALA 134 CO 0.56 -0.78 0.55 0.00 0.00 0.00 0.00 179.25 179.57 2kfs h ARG 135 N 0.00 0.75 -0.13 0.00 2.47 -1.92 0.19 114.38 115.75 2kfs h ARG 135 Ca 0.25 -0.05 -0.09 0.00 -1.26 0.00 0.00 59.98 58.84 2kfs h ARG 135 Cb 1.27 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 2kfs h ARG 135 CO -0.00 0.50 -0.32 0.93 0.56 0.00 0.00 179.97 181.63 2kfs h GLU 136 N 0.77 0.24 -0.04 0.04 4.39 -1.89 0.14 114.58 118.24 2kfs h GLU 136 Ca 0.40 -0.10 -0.01 0.00 0.34 0.00 0.00 59.36 59.99 2kfs h GLU 136 Cb 0.49 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.13 2kfs h GLU 136 CO -0.16 0.55 -0.02 0.28 -1.16 0.00 0.00 179.01 178.49 2kfs h VAL 137 N 0.21 1.33 -0.75 3.13 2.07 -1.08 -1.59 116.25 119.58 2kfs h VAL 137 Ca 0.03 -1.03 0.04 0.00 0.82 0.00 0.00 66.70 66.56 2kfs h VAL 137 Cb 0.68 1.94 -0.05 0.00 -1.52 0.00 0.00 31.29 32.35 2kfs h VAL 137 CO 0.05 0.28 0.46 0.58 0.02 0.00 0.00 177.57 178.96 2kfs h VAL 138 N -0.31 1.07 -0.37 2.57 2.07 -0.51 0.63 116.25 121.40 2kfs h VAL 138 Ca 0.01 -0.30 0.04 0.00 0.82 0.00 0.00 66.70 67.27 2kfs h VAL 138 Cb 0.46 0.11 -0.04 0.00 -1.52 0.00 0.00 31.29 30.30 2kfs h VAL 138 CO 0.01 0.16 0.14 -0.09 0.02 0.00 0.00 177.57 177.80 2kfs h ARG 139 N 0.89 0.29 -0.19 1.57 2.43 -0.59 0.21 114.38 118.99 2kfs h ARG 139 Ca 0.31 -0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.35 2kfs h ARG 139 Cb 0.07 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.55 2kfs h ARG 139 CO -0.13 0.19 -0.37 0.00 -1.51 0.00 0.00 179.97 178.14 2kfs h ARG 140 N 0.29 0.41 -0.17 0.20 3.08 -0.65 -1.83 114.38 115.70 2kfs h ARG 140 Ca 0.17 -0.19 -0.04 0.00 0.07 0.00 0.00 59.98 59.99 2kfs h ARG 140 Cb 0.13 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2kfs h ARG 140 CO -0.16 0.72 -0.05 0.00 -1.07 0.00 0.00 179.97 179.41 2kfs h ALA 141 N 1.26 0.24 -1.00 0.04 0.00 -0.10 -0.83 119.26 118.87 2kfs h ALA 141 Ca 0.04 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.72 2kfs h ALA 141 Cb 0.81 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 2kfs h ALA 141 CO 0.07 0.01 0.66 1.96 0.00 0.00 0.00 179.25 181.95 2kfs h GLN 142 N 0.05 1.29 -0.04 0.00 1.08 -0.50 0.19 115.11 117.18 2kfs h GLN 142 Ca 0.04 -0.08 -0.11 0.00 -1.45 0.00 0.00 58.65 57.06 2kfs h GLN 142 Cb 0.49 -0.29 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2kfs h GLN 142 CO 0.02 0.86 -0.47 0.00 -0.95 0.00 0.00 178.83 178.29 2kfs h ALA 143 N 1.38 1.14 0.03 3.87 0.00 -1.21 -1.50 119.26 122.97 2kfs h ALA 143 Ca 0.37 -0.44 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2kfs h ALA 143 Cb -0.12 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 17.60 2kfs h ALA 143 CO -0.09 0.61 -0.27 1.98 0.00 0.00 0.00 179.25 181.48 2kfs h MET 144 N 0.08 0.13 0.00 0.00 1.85 -0.30 -3.36 114.93 113.33 2kfs h MET 144 Ca 0.00 -0.18 -0.20 0.00 -0.61 0.00 0.00 59.70 58.71 2kfs h MET 144 Cb 0.86 0.06 -0.03 0.00 0.43 0.00 0.00 31.60 32.92 2kfs h MET 144 CO 0.07 1.01 -0.97 0.00 -0.40 0.00 0.00 176.91 176.62 2kfs h ALA 145 N 0.13 0.41 -0.01 0.39 0.00 -1.02 -3.51 119.26 115.65 2kfs h ALA 145 Ca -0.04 -0.87 0.00 0.00 0.00 0.00 0.00 54.91 54.00 2kfs h ALA 145 Cb 1.12 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.79 2kfs h ALA 145 CO 0.05 1.18 0.00 0.66 0.00 0.00 0.00 179.25 181.14