#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy n VAL 2 N 0.00 0.00 0.48 1.12 0.24 -1.26 -4.16 118.33 114.75 2ksy n VAL 2 Ca 0.00 -0.12 0.12 0.00 -2.04 0.00 0.00 64.34 62.30 2ksy n VAL 2 Cb 0.00 0.93 0.46 0.00 -1.47 0.00 0.00 33.84 33.76 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksy n GLY 3 N 1.45 -1.35 0.19 7.63 0.00 -1.26 -2.80 105.19 109.05 2ksy n GLY 3 Ca 0.07 0.04 -0.11 0.00 0.00 0.00 0.00 46.02 46.02 2ksy n GLY 3 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2ksy h LEU 4 N 0.00 0.59 -1.22 0.99 3.38 -1.99 -3.21 115.31 113.85 2ksy h LEU 4 Ca 0.00 -0.37 0.16 0.00 0.09 0.00 0.00 57.88 57.76 2ksy h LEU 4 Cb 0.44 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.93 2ksy h LEU 4 CO 0.00 1.12 0.60 0.71 0.09 0.00 0.00 178.44 180.95 2ksy h THR 5 N 0.35 0.79 -0.96 0.22 1.35 -1.80 -1.04 112.91 111.81 2ksy h THR 5 Ca -0.03 -0.24 0.08 0.00 -0.55 0.00 0.00 66.41 65.68 2ksy h THR 5 Cb 1.28 0.02 -0.07 0.00 -1.73 0.00 0.00 68.15 67.65 2ksy h THR 5 CO 0.13 0.13 0.61 0.71 -0.25 0.00 0.00 175.52 176.84 2ksy h THR 6 N 0.70 1.02 0.24 6.82 1.35 -1.72 -1.58 112.91 119.74 2ksy h THR 6 Ca 0.49 -0.36 -0.01 0.00 -0.55 0.00 0.00 66.41 65.98 2ksy h THR 6 Cb 0.81 -0.13 0.00 0.00 -1.73 0.00 0.00 68.15 67.10 2ksy h THR 6 CO -0.25 0.19 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.02 2ksy h LEU 7 N 1.06 -0.30 -1.79 3.87 -0.00 -1.35 -1.10 115.31 115.70 2ksy h LEU 7 Ca 0.44 0.01 0.04 0.00 -0.00 0.00 0.00 57.88 58.37 2ksy h LEU 7 Cb 0.27 0.08 -0.02 0.00 -0.00 0.00 0.00 40.66 41.00 2ksy h LEU 7 CO -0.21 -0.21 0.22 -0.26 -0.00 0.00 0.00 178.44 177.99 2ksy h PHE 8 N -0.34 0.26 -0.24 1.13 0.04 -1.43 -1.34 116.94 115.01 2ksy h PHE 8 Ca -0.03 0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.69 2ksy h PHE 8 Cb 0.26 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 38.32 2ksy h PHE 8 CO -0.07 0.15 -0.05 -1.49 -0.60 0.00 0.00 178.31 176.26 2ksy h TRP 9 N 0.27 0.51 -0.39 -0.55 -0.00 -0.74 -1.89 115.95 113.16 2ksy h TRP 9 Ca 0.14 -0.11 0.03 0.00 -0.00 0.00 0.00 58.89 58.95 2ksy h TRP 9 Cb 0.23 -0.13 -0.03 0.00 -0.00 0.00 0.00 29.16 29.23 2ksy h TRP 9 CO -0.00 0.67 0.19 -0.07 -0.00 0.00 0.00 178.44 179.24 2ksy h LEU 10 N 0.20 0.28 -1.54 -4.49 3.38 -0.18 -1.52 115.31 111.45 2ksy h LEU 10 Ca 0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2ksy h LEU 10 Cb 0.50 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2ksy h LEU 10 CO 0.02 0.21 0.30 1.23 0.09 0.00 0.00 178.44 180.29 2ksy h GLY 11 N 0.39 0.65 1.96 0.83 0.00 -1.21 -1.09 103.07 104.61 2ksy h GLY 11 Ca 0.16 -0.24 -0.08 0.00 0.00 0.00 0.00 47.33 47.17 2ksy h GLY 11 CO -0.11 0.24 -0.37 0.00 0.00 0.00 0.00 176.54 176.29 2ksy h ALA 12 N 1.71 1.34 0.16 3.60 0.00 -0.46 -1.80 119.26 123.81 2ksy h ALA 12 Ca 0.17 -0.35 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2ksy h ALA 12 Cb -0.06 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.66 2ksy h ALA 12 CO -0.04 0.49 -0.08 0.82 0.00 0.00 0.00 179.25 180.44 2ksy h ILE 13 N 0.04 0.97 -0.47 0.00 1.08 -0.40 -1.32 117.51 117.40 2ksy h ILE 13 Ca 0.00 -0.74 0.01 0.00 -0.39 0.00 0.00 64.86 63.74 2ksy h ILE 13 Cb 0.68 1.41 -0.02 0.00 -3.07 0.00 0.00 36.82 35.82 2ksy h ILE 13 CO 0.05 0.17 0.32 1.23 -0.69 0.00 0.00 178.15 179.22 2ksy h GLY 14 N -0.58 0.66 1.07 5.37 0.00 -1.39 -1.91 103.07 106.29 2ksy h GLY 14 Ca -0.02 -0.25 -0.10 0.00 0.00 0.00 0.00 47.33 46.96 2ksy h GLY 14 CO 0.04 0.24 -0.03 -0.33 0.00 0.00 0.00 176.54 176.46 2ksy h MET 15 N 0.64 1.03 -0.96 4.80 2.86 -1.22 -2.59 114.93 119.48 2ksy h MET 15 Ca 0.18 -0.34 0.02 0.00 -2.06 0.00 0.00 59.70 57.49 2ksy h MET 15 Cb -0.06 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.46 2ksy h MET 15 CO -0.04 1.03 0.64 1.25 1.06 0.00 0.00 176.91 180.85 2ksy h LEU 16 N 0.92 1.09 -0.67 1.22 7.12 -0.46 0.13 115.31 124.68 2ksy h LEU 16 Ca 0.16 -0.02 -0.01 0.00 0.13 0.00 0.00 57.88 58.13 2ksy h LEU 16 Cb 0.59 -0.27 -0.03 0.00 -0.53 0.00 0.00 40.66 40.42 2ksy h LEU 16 CO 0.04 0.78 0.38 0.58 -0.13 0.00 0.00 178.44 180.08 2ksy h VAL 17 N 1.29 1.20 -0.16 1.05 2.07 -1.20 -2.27 116.25 118.23 2ksy h VAL 17 Ca 0.36 -0.50 -0.06 0.00 0.82 0.00 0.00 66.70 67.32 2ksy h VAL 17 Cb -0.12 0.32 -0.00 0.00 -1.52 0.00 0.00 31.29 29.97 2ksy h VAL 17 CO -0.09 0.22 -0.13 1.23 0.02 0.00 0.00 177.57 178.82 2ksy h GLY 18 N 0.91 0.40 0.07 2.17 0.00 -1.01 -1.27 103.07 104.35 2ksy h GLY 18 Ca 0.24 -0.40 0.10 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 18 CO -0.04 0.36 -0.05 -0.84 0.00 0.00 0.00 176.54 175.97 2ksy h THR 19 N 0.02 0.55 -0.12 4.70 2.02 -0.60 0.14 112.91 119.61 2ksy h THR 19 Ca 0.03 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 2ksy h THR 19 Cb 0.65 0.47 0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2ksy h THR 19 CO 0.03 0.01 -0.32 -0.07 0.37 0.00 0.00 175.52 175.55 2ksy h LEU 20 N 0.07 0.49 -1.85 2.58 3.38 -1.44 -0.66 115.31 117.88 2ksy h LEU 20 Ca 0.26 -0.58 0.01 0.00 0.09 0.00 0.00 57.88 57.65 2ksy h LEU 20 Cb 0.40 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 2ksy h LEU 20 CO -0.47 0.99 0.11 0.00 0.09 0.00 0.00 178.44 179.16 2ksy h ALA 21 N 0.52 1.91 0.01 1.53 0.00 -0.69 0.39 119.26 122.93 2ksy h ALA 21 Ca -0.00 -0.01 -0.30 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 21 Cb 0.93 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.61 2ksy h ALA 21 CO 0.07 0.07 -1.80 1.19 0.00 0.00 0.00 179.25 178.79 2ksy n PHE 22 N -4.51 0.92 -0.02 0.00 3.72 0.44 -3.49 117.46 114.52 2ksy n PHE 22 Ca -0.00 0.32 -0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2ksy n PHE 22 Cb 0.10 -1.17 -0.10 0.00 -0.94 0.00 0.00 39.48 37.37 2ksy n PHE 22 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2ksy h ALA 23 N 0.93 -0.03 -0.77 4.37 0.00 -0.71 0.45 119.26 123.50 2ksy h ALA 23 Ca -0.32 -0.31 -0.02 0.00 0.00 0.00 0.00 54.91 54.26 2ksy h ALA 23 Cb 2.04 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.80 2ksy h ALA 23 CO 0.07 -0.20 0.41 2.35 0.00 0.00 0.00 179.25 181.89 2ksy h TRP 24 N -0.68 1.06 0.00 0.00 2.91 -1.13 -1.62 115.95 116.50 2ksy h TRP 24 Ca -0.00 -0.03 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 2ksy h TRP 24 Cb 0.63 -0.34 -0.01 0.00 -0.51 0.00 0.00 29.16 28.92 2ksy h TRP 24 CO 0.14 0.75 -0.47 0.00 -1.03 0.00 0.00 178.44 177.82 2ksy h ALA 25 N 1.37 0.72 -0.13 2.65 0.00 -1.62 -3.27 119.26 118.98 2ksy h ALA 25 Ca 0.27 -0.40 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 25 Cb 0.05 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 17.79 2ksy h ALA 25 CO -0.04 0.53 -0.52 0.78 0.00 0.00 0.00 179.25 180.00 2ksy h GLY 26 N 3.59 0.63 2.00 0.00 0.00 -0.30 -3.10 103.07 105.90 2ksy h GLY 26 Ca -0.01 -0.86 0.00 0.00 0.00 0.00 0.00 47.33 46.46 2ksy h GLY 26 CO 0.05 0.77 0.00 0.07 0.00 0.00 0.00 176.54 177.43 2ksy h ARG 27 N 0.20 0.00 -0.64 4.80 0.11 -1.41 -1.72 114.38 115.72 2ksy h ARG 27 Ca -0.03 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.05 2ksy h ARG 27 Cb 1.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.23 2ksy h ARG 27 CO 0.11 0.00 0.00 -3.47 0.10 0.00 0.00 179.97 176.71 2ksy n ASP 28 N -2.81 4.68 -5.00 0.08 2.03 -1.17 -4.94 116.55 109.42 2ksy n ASP 28 Ca -0.00 -2.61 -0.19 0.00 0.52 0.00 0.00 54.79 52.50 2ksy n ASP 28 Cb 0.21 -0.61 0.05 0.00 -0.72 0.00 0.00 41.12 40.06 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksy s ALA 29 N -2.19 4.59 0.37 -1.67 0.00 -0.65 -5.06 121.76 117.14 2ksy s ALA 29 Ca 0.46 -1.99 0.07 0.00 0.00 0.00 0.00 51.96 50.50 2ksy s ALA 29 Cb 0.33 -1.55 -0.02 0.00 0.00 0.00 0.00 23.12 21.88 2ksy s ALA 29 CO 0.17 -0.76 0.38 0.20 0.00 0.00 0.00 175.76 175.75 2ksy s GLY 30 N -4.59 1.87 -0.01 0.00 0.00 -1.26 -4.96 107.32 98.37 2ksy s GLY 30 Ca 0.60 -1.69 -0.30 0.00 0.00 0.00 0.00 44.72 43.34 2ksy s GLY 30 CO 0.38 -1.57 1.76 -0.56 0.00 0.00 0.00 173.10 173.12 2ksy s SER 31 N -4.11 6.58 0.00 1.64 0.01 -1.26 -2.90 113.70 113.67 2ksy s SER 31 Ca 0.45 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.13 2ksy s SER 31 Cb -0.06 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2ksy s SER 31 CO 0.28 -0.97 0.00 0.61 0.41 0.00 0.00 173.24 173.58 2ksy n GLY 32 N 4.26 3.65 0.12 3.44 0.00 -1.26 -4.85 105.19 110.55 2ksy n GLY 32 Ca 0.18 -0.85 0.10 0.00 0.00 0.00 0.00 46.02 45.46 2ksy n GLY 32 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2ksy h GLU 33 N 0.00 0.00 -0.73 1.61 4.39 -1.96 -3.35 114.58 114.54 2ksy h GLU 33 Ca 0.00 0.00 0.21 0.00 0.34 0.00 0.00 59.36 59.91 2ksy h GLU 33 Cb 0.00 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 28.62 2ksy h GLU 33 CO 0.00 0.03 0.56 -0.09 -1.16 0.00 0.00 179.01 178.35 2ksy h ARG 34 N 0.00 0.00 -0.96 2.33 2.43 -1.86 0.39 114.38 116.72 2ksy h ARG 34 Ca -0.02 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.18 2ksy h ARG 34 Cb 1.06 0.00 -0.05 0.00 -0.42 0.00 0.00 29.97 30.56 2ksy h ARG 34 CO 0.00 0.00 0.63 -0.09 -1.51 0.00 0.00 179.97 179.00 2ksy h ARG 35 N 0.00 1.22 -0.07 0.20 2.43 -1.90 0.10 114.38 116.36 2ksy h ARG 35 Ca 0.35 -0.07 -0.13 0.00 -0.81 0.00 0.00 59.98 59.31 2ksy h ARG 35 Cb 1.46 -0.28 -0.01 0.00 -0.42 0.00 0.00 29.97 30.72 2ksy h ARG 35 CO -0.00 0.81 -0.54 1.88 -1.51 0.00 0.00 179.97 180.60 2ksy h TYR 36 N 1.26 0.27 0.23 2.20 0.05 -1.19 -2.45 116.97 117.33 2ksy h TYR 36 Ca 0.36 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 59.04 2ksy h TYR 36 Cb -0.08 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 37.61 2ksy h TYR 36 CO -0.01 0.71 -0.11 1.88 -1.05 0.00 0.00 178.16 179.59 2ksy h TYR 37 N 0.17 -0.28 -0.75 4.88 0.05 -1.18 -1.72 116.97 118.12 2ksy h TYR 37 Ca 0.00 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 1.01 0.09 -0.05 0.00 1.01 0.00 0.00 36.73 38.80 2ksy h TYR 37 CO 0.02 0.10 0.50 -0.24 -1.05 0.00 0.00 178.16 177.49 2ksy h VAL 38 N -0.83 1.00 -0.32 -2.88 3.04 -1.07 0.99 116.25 116.18 2ksy h VAL 38 Ca -0.03 -0.26 -0.04 0.00 -1.01 0.00 0.00 66.70 65.36 2ksy h VAL 38 Cb 0.51 0.17 -0.01 0.00 -2.01 0.00 0.00 31.29 29.95 2ksy h VAL 38 CO 0.05 0.14 0.04 0.74 -1.01 0.00 0.00 177.57 177.53 2ksy h THR 39 N 0.77 1.24 -0.55 3.17 2.02 -1.44 -0.14 112.91 117.98 2ksy h THR 39 Ca 0.33 -0.84 -0.08 0.00 0.77 0.00 0.00 66.41 66.59 2ksy h THR 39 Cb 0.31 1.17 -0.02 0.00 -1.74 0.00 0.00 68.15 67.86 2ksy h THR 39 CO -0.12 0.28 0.01 0.25 0.37 0.00 0.00 175.52 176.31 2ksy h LEU 40 N 0.36 0.91 -0.95 2.58 5.85 -0.37 -2.52 115.31 121.17 2ksy h LEU 40 Ca 0.10 -0.24 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2ksy h LEU 40 Cb 0.37 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.14 2ksy h LEU 40 CO 0.01 0.96 -0.26 0.58 -0.34 0.00 0.00 178.44 179.39 2ksy h VAL 41 N 0.87 1.27 -0.26 1.05 2.07 -0.68 -2.87 116.25 117.70 2ksy h VAL 41 Ca 0.16 -1.27 -0.02 0.00 0.82 0.00 0.00 66.70 66.39 2ksy h VAL 41 Cb 0.50 1.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.63 2ksy h VAL 41 CO 0.02 0.40 0.08 1.23 0.02 0.00 0.00 177.57 179.33 2ksy h GLY 42 N 1.02 0.43 0.97 2.17 0.00 -0.61 -1.52 103.07 105.54 2ksy h GLY 42 Ca 0.06 -0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.11 2ksy h GLY 42 CO 0.05 0.24 0.20 0.16 0.00 0.00 0.00 176.54 177.19 2ksy h ILE 43 N 0.25 1.21 0.00 2.60 3.07 -1.42 -0.33 117.51 122.89 2ksy h ILE 43 Ca 0.08 -0.63 -0.05 0.00 1.55 0.00 0.00 64.86 65.82 2ksy h ILE 43 Cb 0.24 0.71 -0.01 0.00 -0.27 0.00 0.00 36.82 37.49 2ksy h ILE 43 CO -0.00 0.24 -0.24 0.28 -1.05 0.00 0.00 178.15 177.38 2ksy h SER 44 N 0.65 0.00 0.00 2.16 0.02 -1.47 -2.76 113.55 112.15 2ksy h SER 44 Ca 0.16 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.11 2ksy h SER 44 Cb 0.18 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.72 2ksy h SER 44 CO -0.02 0.24 -0.03 1.23 -1.14 0.00 0.00 176.83 177.11 2ksy h GLY 45 N 1.09 0.02 0.81 -3.77 0.00 -0.73 -2.42 103.07 98.07 2ksy h GLY 45 Ca -0.00 -0.04 0.04 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 45 CO 0.03 0.03 0.38 0.16 0.00 0.00 0.00 176.54 177.15 2ksy h ILE 46 N -0.90 1.05 -0.47 2.60 3.07 -1.07 -1.88 117.51 119.91 2ksy h ILE 46 Ca -0.01 -0.25 -0.12 0.00 1.55 0.00 0.00 64.86 66.03 2ksy h ILE 46 Cb 0.96 0.24 -0.01 0.00 -0.27 0.00 0.00 36.82 37.73 2ksy h ILE 46 CO 0.01 0.14 -0.19 0.00 -1.05 0.00 0.00 178.15 177.05 2ksy h ALA 47 N 1.30 0.78 -0.40 0.16 0.00 -1.62 -2.67 119.26 116.81 2ksy h ALA 47 Ca 0.27 -0.37 0.06 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 47 Cb 0.07 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 2ksy h ALA 47 CO -0.13 0.66 0.08 0.00 0.00 0.00 0.00 179.25 179.86 2ksy h ALA 48 N 0.97 0.43 -0.22 0.00 0.00 -0.84 -1.26 119.26 118.34 2ksy h ALA 48 Ca 0.11 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 48 Cb 0.74 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.62 2ksy h ALA 48 CO 0.06 -0.32 -0.30 -0.39 0.00 0.00 0.00 179.25 178.30 2ksy h VAL 49 N 0.20 1.27 -0.59 0.00 -1.51 -1.33 -2.35 116.25 111.95 2ksy h VAL 49 Ca 0.19 -1.34 -0.05 0.00 -1.23 0.00 0.00 66.70 64.28 2ksy h VAL 49 Cb 0.23 1.43 -0.03 0.00 -2.13 0.00 0.00 31.29 30.80 2ksy h VAL 49 CO -0.26 0.42 0.16 0.00 -1.23 0.00 0.00 177.57 176.66 2ksy h ALA 50 N 1.30 1.17 -0.09 5.19 0.00 -0.99 -0.93 119.26 124.92 2ksy h ALA 50 Ca 0.05 -0.20 -0.17 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 50 Cb 0.71 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 2ksy h ALA 50 CO 0.05 0.57 -0.66 1.88 0.00 0.00 0.00 179.25 181.09 2ksy h TYR 51 N 0.87 0.50 -0.35 0.00 0.05 -1.04 -1.68 116.97 115.32 2ksy h TYR 51 Ca 0.19 -0.21 -0.10 0.00 0.05 0.00 0.00 58.73 58.67 2ksy h TYR 51 Cb 0.29 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 37.93 2ksy h TYR 51 CO 0.02 0.93 -0.16 0.00 -1.05 0.00 0.00 178.16 177.90 2ksy h ALA 52 N 1.02 0.49 -0.25 3.88 0.00 -1.03 0.24 119.26 123.61 2ksy h ALA 52 Ca -0.02 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.45 2ksy h ALA 52 Cb 1.21 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2ksy h ALA 52 CO 0.11 0.41 -0.23 -0.39 0.00 0.00 0.00 179.25 179.15 2ksy h VAL 53 N 0.51 1.31 -0.29 0.00 -1.51 -1.17 -2.84 116.25 112.26 2ksy h VAL 53 Ca 0.08 -1.39 -0.06 0.00 -1.23 0.00 0.00 66.70 64.10 2ksy h VAL 53 Cb 0.70 1.65 -0.02 0.00 -2.13 0.00 0.00 31.29 31.49 2ksy h VAL 53 CO 0.05 0.43 -0.09 0.24 -1.23 0.00 0.00 177.57 176.97 2ksy h MET 54 N 0.31 0.47 0.00 5.19 2.07 -1.31 -1.24 114.93 120.42 2ksy h MET 54 Ca 0.04 -0.12 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 2ksy h MET 54 Cb 0.78 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 30.46 2ksy h MET 54 CO 0.06 0.57 0.00 0.00 1.07 0.00 0.00 176.91 178.61 2ksy h ALA 55 N 1.46 1.00 -0.65 6.32 0.00 -0.78 -1.24 119.26 125.37 2ksy h ALA 55 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 55 Cb 0.44 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.23 2ksy h ALA 55 CO 0.02 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.55 2ksy n LEU 56 N -2.66 3.85 -0.48 0.00 4.77 -0.55 -4.72 117.00 117.21 2ksy n LEU 56 Ca -0.00 -1.86 -0.06 0.00 -0.03 0.00 0.00 56.01 54.06 2ksy n LEU 56 Cb 0.18 -0.43 -0.02 0.00 -2.33 0.00 0.00 43.42 40.82 2ksy n LEU 56 CO 0.20 0.93 -0.06 0.61 -1.33 0.00 0.00 177.39 177.74 2ksy n GLY 57 N 1.63 0.78 3.73 -0.72 0.00 -0.47 -5.01 105.19 105.14 2ksy n GLY 57 Ca 0.23 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 45.11 2ksy n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 58 N -2.23 5.18 0.00 1.61 1.01 -0.74 -3.94 120.40 121.29 2ksy s VAL 58 Ca 0.00 0.92 0.00 0.00 0.00 0.00 0.00 61.98 62.90 2ksy s VAL 58 Cb 0.00 -3.80 0.00 0.00 0.00 0.00 0.00 36.38 32.58 2ksy s VAL 58 CO 0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2ksy n GLY 59 N 3.17 0.66 3.61 4.51 0.00 -1.26 -4.11 105.19 111.77 2ksy n GLY 59 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2ksy n GLY 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2ksy s TRP 60 N -2.56 2.46 -0.13 1.61 0.52 -1.25 -2.44 118.94 117.15 2ksy s TRP 60 Ca 0.00 0.71 -0.02 0.00 0.02 0.00 0.00 56.10 56.81 2ksy s TRP 60 Cb 0.00 -4.23 -0.02 0.00 -1.15 0.00 0.00 33.47 28.07 2ksy s TRP 60 CO 0.00 -1.93 -0.07 0.54 0.02 0.00 0.00 176.95 175.51 2ksy s VAL 61 N 5.19 3.61 0.41 4.03 0.11 -0.62 -5.02 120.40 128.11 2ksy s VAL 61 Ca 0.60 -0.47 -0.23 0.00 -2.93 0.00 0.00 61.98 58.95 2ksy s VAL 61 Cb -0.14 -2.55 -0.09 0.00 -1.53 0.00 0.00 36.38 32.07 2ksy s VAL 61 CO 0.31 0.52 1.02 -2.16 -3.33 0.00 0.00 175.10 171.46 2ksy s PRO 62 N 0.12 4.14 -0.34 1.54 0.04 -1.26 -1.58 135.00 137.65 2ksy s PRO 62 Ca -0.03 1.41 -0.00 0.00 0.04 0.00 0.00 61.00 62.42 2ksy s PRO 62 Cb -0.14 -2.43 0.14 0.00 0.04 0.00 0.00 34.50 32.11 2ksy s PRO 62 CO 0.03 -0.15 0.23 0.08 0.04 0.00 0.00 177.00 177.23 2ksy s VAL 63 N -1.79 0.01 0.00 -0.36 1.01 0.10 -4.85 120.40 114.53 2ksy s VAL 63 Ca 0.60 -1.40 0.00 0.00 0.00 0.00 0.00 61.98 61.18 2ksy s VAL 63 Cb -0.19 -1.02 0.00 0.00 0.00 0.00 0.00 36.38 35.17 2ksy s VAL 63 CO 0.24 -0.87 0.00 0.00 0.00 0.00 0.00 175.10 174.47 2ksy n ALA 64 N 4.31 0.00 -0.00 5.51 0.00 -1.26 -0.47 120.51 128.60 2ksy n ALA 64 Ca 0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.53 2ksy n ALA 64 Cb 0.39 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 2ksy n ALA 64 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2ksy n GLU 65 N 0.00 0.58 -3.98 0.00 4.07 -1.26 -5.05 120.64 115.01 2ksy n GLU 65 Ca 0.00 -0.02 -0.22 0.00 -0.06 0.00 0.00 57.16 56.87 2ksy n GLU 65 Cb 0.00 -1.05 -0.04 0.00 -0.06 0.00 0.00 31.44 30.29 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2ksy s ARG 66 N -2.13 2.73 -0.15 5.31 0.52 0.38 -5.12 118.95 120.49 2ksy s ARG 66 Ca -0.01 -1.24 0.02 0.00 -0.52 0.00 0.00 55.73 53.98 2ksy s ARG 66 Cb 0.01 -2.46 0.01 0.00 0.52 0.00 0.00 34.95 33.03 2ksy s ARG 66 CO 0.09 0.22 -0.20 0.99 0.02 0.00 0.00 175.30 176.42 2ksy s THR 67 N -2.26 2.23 0.01 0.02 2.01 -1.26 0.03 115.64 116.43 2ksy s THR 67 Ca 0.37 -0.92 -0.00 0.00 0.31 0.00 0.00 61.69 61.45 2ksy s THR 67 Cb -0.06 -1.91 -0.04 0.00 0.01 0.00 0.00 72.50 70.50 2ksy s THR 67 CO 0.25 0.54 0.10 -0.69 -0.69 0.00 0.00 174.62 174.13 2ksy s VAL 68 N 0.87 4.85 -0.33 3.82 1.01 -0.62 -4.96 120.40 125.04 2ksy s VAL 68 Ca -0.05 -0.43 -0.08 0.00 0.00 0.00 0.00 61.98 61.42 2ksy s VAL 68 Cb -0.15 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.00 2ksy s VAL 68 CO -0.02 0.29 0.12 -0.36 0.00 0.00 0.00 175.10 175.13 2ksy s PHE 69 N -1.27 3.21 0.03 5.22 0.08 -1.26 -1.59 117.98 122.39 2ksy s PHE 69 Ca 0.25 -1.11 -0.23 0.00 0.12 0.00 0.00 56.93 55.96 2ksy s PHE 69 Cb -0.12 -2.30 -0.16 0.00 -0.57 0.00 0.00 43.02 39.87 2ksy s PHE 69 CO 0.17 -0.64 1.44 0.28 -0.10 0.00 0.00 175.22 176.37 2ksy h VAL 70 N 5.97 1.27 0.00 -0.44 2.07 -1.85 -2.99 116.25 120.28 2ksy h VAL 70 Ca -0.27 -0.84 0.00 0.00 0.82 0.00 0.00 66.70 66.41 2ksy h VAL 70 Cb 1.11 1.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.57 2ksy h VAL 70 CO 0.62 0.23 0.01 1.55 0.02 0.00 0.00 177.57 180.00 2ksy h PRO 71 N -0.18 0.00 0.05 1.57 0.13 -1.86 -0.90 132.00 130.80 2ksy h PRO 71 Ca 0.02 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.15 2ksy h PRO 71 Cb 0.37 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.50 2ksy h PRO 71 CO 0.00 0.00 -0.02 -0.09 -0.23 0.00 0.00 178.00 177.66 2ksy h ARG 72 N 0.00 -0.06 -0.06 0.86 2.43 -1.88 -2.02 114.38 113.65 2ksy h ARG 72 Ca 0.00 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.05 2ksy h ARG 72 Cb 0.02 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.57 2ksy h ARG 72 CO 0.00 0.35 -0.51 1.88 -1.51 0.00 0.00 179.97 180.17 2ksy h TYR 73 N -0.98 0.19 -0.38 2.20 0.05 -1.51 -2.63 116.97 113.90 2ksy h TYR 73 Ca -0.01 -0.06 -0.15 0.00 0.05 0.00 0.00 58.73 58.56 2ksy h TYR 73 Cb 0.43 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.13 2ksy h TYR 73 CO 0.11 0.64 -0.36 0.97 -1.05 0.00 0.00 178.16 178.46 2ksy h ILE 74 N 0.12 1.27 -0.82 -2.88 -0.00 -1.30 -1.81 117.51 112.09 2ksy h ILE 74 Ca 0.00 -1.54 0.07 0.00 -0.00 0.00 0.00 64.86 63.40 2ksy h ILE 74 Cb 0.95 1.37 -0.05 0.00 -0.00 0.00 0.00 36.82 39.08 2ksy h ILE 74 CO 0.07 0.51 0.53 -0.78 -0.00 0.00 0.00 178.15 178.49 2ksy h ASP 75 N 0.73 0.77 0.16 2.19 3.58 -1.08 0.26 116.42 123.03 2ksy h ASP 75 Ca 0.07 0.01 -0.13 0.00 0.42 0.00 0.00 57.03 57.39 2ksy h ASP 75 Cb 0.94 -0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 2ksy h ASP 75 CO 0.09 0.49 -0.48 -0.50 -2.88 0.00 0.00 179.24 175.96 2ksy h TRP 76 N 0.87 0.46 -0.90 0.28 4.06 -1.12 0.53 115.95 120.13 2ksy h TRP 76 Ca 0.36 -0.14 0.04 0.00 2.06 0.00 0.00 58.89 61.20 2ksy h TRP 76 Cb 0.27 -0.09 -0.05 0.00 -1.00 0.00 0.00 29.16 28.28 2ksy h TRP 76 CO -0.00 0.79 0.59 0.82 -3.56 0.00 0.00 178.44 177.08 2ksy h ILE 77 N 0.30 1.13 0.05 1.49 2.04 -0.10 -0.37 117.51 122.05 2ksy h ILE 77 Ca 0.02 -0.38 -0.33 0.00 1.00 0.00 0.00 64.86 65.17 2ksy h ILE 77 Cb 0.96 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.93 2ksy h ILE 77 CO 0.08 0.20 -1.91 0.00 0.00 0.00 0.00 178.15 176.53 2ksy n LEU 78 N -4.45 1.55 -0.02 1.44 -0.00 -0.99 -4.32 117.00 110.21 2ksy n LEU 78 Ca 0.12 0.28 -0.11 0.00 -0.00 0.00 0.00 56.01 56.30 2ksy n LEU 78 Cb 0.13 -0.33 -0.09 0.00 -0.00 0.00 0.00 43.42 43.13 2ksy n LEU 78 CO 0.34 0.59 0.39 0.71 -0.00 0.00 0.00 177.39 179.43 2ksy h THR 79 N 0.03 1.23 -0.52 1.47 1.35 -0.78 -3.29 112.91 112.40 2ksy h THR 79 Ca -0.37 -1.62 0.10 0.00 -0.55 0.00 0.00 66.41 63.97 2ksy h THR 79 Cb 2.04 2.20 -0.09 0.00 -1.73 0.00 0.00 68.15 70.56 2ksy h THR 79 CO 0.07 0.37 -0.04 0.74 -0.25 0.00 0.00 175.52 176.41 2ksy h THR 80 N -0.87 0.55 0.00 6.82 2.02 -1.28 0.68 112.91 120.83 2ksy h THR 80 Ca -0.01 -0.03 -0.01 0.00 0.77 0.00 0.00 66.41 67.14 2ksy h THR 80 Cb 0.65 0.47 -0.00 0.00 -1.74 0.00 0.00 68.15 67.53 2ksy h THR 80 CO 0.01 0.01 -0.04 1.55 0.37 0.00 0.00 175.52 177.43 2ksy h PRO 81 N 0.08 0.00 -0.04 6.66 0.13 -1.75 -1.19 132.00 135.88 2ksy h PRO 81 Ca 0.26 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 65.20 2ksy h PRO 81 Cb 0.40 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.53 2ksy h PRO 81 CO -0.47 0.04 -0.80 1.25 -0.23 0.00 0.00 178.00 177.79 2ksy h LEU 82 N 0.00 0.45 0.23 1.56 7.12 -0.96 -1.60 115.31 122.11 2ksy h LEU 82 Ca -0.00 -0.32 -0.01 0.00 0.13 0.00 0.00 57.88 57.68 2ksy h LEU 82 Cb 0.10 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.09 2ksy h LEU 82 CO 0.00 1.08 -0.11 0.40 -0.13 0.00 0.00 178.44 179.68 2ksy h ILE 83 N 0.23 0.83 -0.01 4.05 1.08 -0.52 -1.42 117.51 121.75 2ksy h ILE 83 Ca -0.04 -0.69 0.00 0.00 -0.39 0.00 0.00 64.86 63.73 2ksy h ILE 83 Cb 1.40 1.21 -0.00 0.00 -3.07 0.00 0.00 36.82 36.35 2ksy h ILE 83 CO 0.13 0.14 0.01 -0.37 -0.69 0.00 0.00 178.15 177.38 2ksy h VAL 84 N -0.69 1.00 -0.18 1.67 -1.51 -1.50 0.95 116.25 115.99 2ksy h VAL 84 Ca -0.03 -0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.35 2ksy h VAL 84 Cb 0.48 0.99 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2ksy h VAL 84 CO 0.05 0.00 -0.28 0.22 -1.23 0.00 0.00 177.57 176.33 2ksy h TYR 85 N 0.00 0.40 0.07 5.19 3.20 -1.07 -2.19 116.97 122.57 2ksy h TYR 85 Ca 0.00 -0.08 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2ksy h TYR 85 Cb 0.01 -0.10 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2ksy h TYR 85 CO -0.00 0.61 -0.03 0.35 -1.64 0.00 0.00 178.16 177.45 2ksy h PHE 86 N 0.31 -0.08 -0.10 -3.82 3.04 0.31 -1.42 116.94 115.18 2ksy h PHE 86 Ca 0.04 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 61.98 2ksy h PHE 86 Cb 0.67 0.03 -0.01 0.00 2.56 0.00 0.00 35.95 39.20 2ksy h PHE 86 CO 0.02 0.03 0.02 -0.07 -2.02 0.00 0.00 178.31 176.29 2ksy h LEU 87 N -0.18 0.13 -1.02 0.59 4.07 -1.35 -0.93 115.31 116.61 2ksy h LEU 87 Ca -0.01 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.86 2ksy h LEU 87 Cb 0.15 -0.03 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 2ksy h LEU 87 CO 0.02 0.14 -0.42 1.23 -1.08 0.00 0.00 178.44 178.32 2ksy h GLY 88 N 0.27 0.00 0.75 0.83 0.00 -0.82 -3.12 103.07 100.97 2ksy h GLY 88 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2ksy h GLY 88 CO -0.00 0.00 -0.26 1.41 0.00 0.00 0.00 176.54 177.69 2ksy h LEU 89 N 0.00 0.44 -0.77 3.11 3.38 -0.10 -0.19 115.31 121.18 2ksy h LEU 89 Ca -0.00 -0.56 0.10 0.00 0.09 0.00 0.00 57.88 57.50 2ksy h LEU 89 Cb 0.87 -0.13 -0.08 0.00 0.09 0.00 0.00 40.66 41.41 2ksy h LEU 89 CO 0.05 0.92 0.41 -0.07 0.09 0.00 0.00 178.44 179.85 2ksy h LEU 90 N -0.02 0.55 0.04 1.67 3.38 -1.45 -3.10 115.31 116.36 2ksy h LEU 90 Ca 0.00 0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ksy h LEU 90 Cb 0.85 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2ksy h LEU 90 CO 0.06 0.30 -0.02 0.00 0.09 0.00 0.00 178.44 178.87 2ksy h ALA 91 N 1.46 -0.05 0.00 1.53 0.00 -1.56 -3.44 119.26 117.19 2ksy h ALA 91 Ca 0.38 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 55.05 2ksy h ALA 91 Cb 0.41 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ksy h ALA 91 CO -0.27 -0.06 0.00 0.41 0.00 0.00 0.00 179.25 179.32 2ksy n GLY 92 N 1.48 0.77 3.91 0.00 0.00 -0.09 -4.41 105.19 106.85 2ksy n GLY 92 Ca -0.05 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.89 2ksy n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ksy s LEU 93 N 0.00 2.60 0.54 0.99 1.02 -1.17 -5.07 118.68 117.58 2ksy s LEU 93 Ca 0.00 0.57 -0.03 0.00 0.02 0.00 0.00 54.13 54.69 2ksy s LEU 93 Cb 0.00 -2.93 0.01 0.00 0.02 0.00 0.00 46.19 43.28 2ksy s LEU 93 CO 0.00 -2.14 0.81 -1.81 0.02 0.00 0.00 176.35 173.23 2ksy s ASP 94 N -4.67 5.66 0.42 2.29 1.01 -1.26 -4.90 116.67 115.22 2ksy s ASP 94 Ca 0.66 0.52 0.16 0.00 0.71 0.00 0.00 52.55 54.59 2ksy s ASP 94 Cb -0.09 -1.60 1.04 0.00 1.01 0.00 0.00 42.92 43.28 2ksy s ASP 94 CO 0.50 -0.93 1.91 0.77 0.21 0.00 0.00 175.17 177.62 2ksy h SER 95 N 0.05 0.41 -0.03 0.27 4.64 -2.00 -1.68 113.55 115.21 2ksy h SER 95 Ca -0.46 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 60.86 2ksy h SER 95 Cb 1.26 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 2ksy h SER 95 CO 0.59 0.20 -0.11 0.03 -0.87 0.00 0.00 176.83 176.67 2ksy h ARG 96 N 0.43 0.13 -0.31 4.77 2.47 -2.00 -2.92 114.38 116.96 2ksy h ARG 96 Ca 0.39 -0.10 0.06 0.00 -1.26 0.00 0.00 59.98 59.07 2ksy h ARG 96 Cb 0.89 0.02 -0.05 0.00 -1.65 0.00 0.00 29.97 29.18 2ksy h ARG 96 CO -0.13 0.73 -0.01 0.93 0.56 0.00 0.00 179.97 182.05 2ksy h GLU 97 N -0.43 0.08 -0.24 0.04 5.08 -1.74 -2.20 114.58 115.16 2ksy h GLU 97 Ca -0.00 -0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2ksy h GLU 97 Cb 0.74 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 2ksy h GLU 97 CO 0.02 0.05 -0.06 0.74 -1.00 0.00 0.00 179.01 178.77 2ksy h PHE 98 N 0.08 -0.12 -0.68 4.33 0.04 -1.42 -1.37 116.94 117.80 2ksy h PHE 98 Ca 0.15 0.02 0.15 0.00 2.80 0.00 0.00 57.97 61.09 2ksy h PHE 98 Cb 0.21 0.09 -0.04 0.00 2.20 0.00 0.00 35.95 38.41 2ksy h PHE 98 CO -0.24 -0.10 0.46 0.78 -0.60 0.00 0.00 178.31 178.62 2ksy h GLY 99 N 0.01 0.45 0.94 -1.45 0.00 -1.22 -0.52 103.07 101.28 2ksy h GLY 99 Ca 0.12 -0.11 -0.11 0.00 0.00 0.00 0.00 47.33 47.22 2ksy h GLY 99 CO -0.24 0.04 -0.25 -2.22 0.00 0.00 0.00 176.54 173.87 2ksy h ILE 100 N 0.26 1.30 -0.24 2.60 2.04 -0.68 -1.94 117.51 120.86 2ksy h ILE 100 Ca 0.33 -1.41 -0.19 0.00 1.00 0.00 0.00 64.86 64.60 2ksy h ILE 100 Cb 0.92 1.58 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 2ksy h ILE 100 CO -0.08 0.45 -0.58 0.58 0.00 0.00 0.00 178.15 178.53 2ksy h VAL 101 N 0.40 1.28 -0.40 1.67 2.07 -0.89 -2.79 116.25 117.60 2ksy h VAL 101 Ca 0.05 -1.77 -0.13 0.00 0.82 0.00 0.00 66.70 65.67 2ksy h VAL 101 Cb 0.81 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2ksy h VAL 101 CO 0.06 0.57 -0.24 0.40 0.02 0.00 0.00 177.57 178.38 2ksy h ILE 102 N 0.57 1.28 -0.38 4.57 1.08 -1.18 -2.67 117.51 120.77 2ksy h ILE 102 Ca -0.00 -1.40 -0.04 0.00 -0.39 0.00 0.00 64.86 63.03 2ksy h ILE 102 Cb 1.19 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 36.24 2ksy h ILE 102 CO 0.13 0.47 0.08 0.00 -0.69 0.00 0.00 178.15 178.13 2ksy h THR 103 N 0.68 1.23 -0.62 -0.27 1.03 -1.41 -2.44 112.91 111.11 2ksy h THR 103 Ca 0.08 -0.82 0.03 0.00 -0.01 0.00 0.00 66.41 65.69 2ksy h THR 103 Cb 0.81 1.03 -0.04 0.00 -1.07 0.00 0.00 68.15 68.89 2ksy h THR 103 CO 0.07 0.28 0.38 0.25 -0.01 0.00 0.00 175.52 176.49 2ksy h LEU 104 N 0.48 0.61 -0.87 0.00 6.46 -1.49 -1.43 115.31 119.06 2ksy h LEU 104 Ca 0.12 0.01 0.08 0.00 -0.12 0.00 0.00 57.88 57.96 2ksy h LEU 104 Cb 0.34 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.08 2ksy h LEU 104 CO 0.00 0.42 0.53 0.78 -0.62 0.00 0.00 178.44 179.56 2ksy h ASN 105 N 0.74 0.81 -1.00 1.25 -0.26 -1.31 -0.58 115.58 115.24 2ksy h ASN 105 Ca 0.25 0.03 0.12 0.00 -0.56 0.00 0.00 56.30 56.14 2ksy h ASN 105 Cb 0.04 -0.14 -0.08 0.00 -1.06 0.00 0.00 38.32 37.08 2ksy h ASN 105 CO -0.11 0.49 0.63 0.74 -1.06 0.00 0.00 177.43 178.12 2ksy h THR 106 N 0.93 0.92 -0.40 2.81 2.02 -0.78 0.14 112.91 118.56 2ksy h THR 106 Ca 0.40 -0.34 -0.11 0.00 0.77 0.00 0.00 66.41 67.13 2ksy h THR 106 Cb 0.26 -0.16 -0.02 0.00 -1.74 0.00 0.00 68.15 66.50 2ksy h THR 106 CO -0.21 0.18 -0.20 0.58 0.37 0.00 0.00 175.52 176.25 2ksy h VAL 107 N 0.99 1.27 0.15 3.16 2.07 -0.81 -2.18 116.25 120.89 2ksy h VAL 107 Ca 0.49 -1.29 -0.01 0.00 0.82 0.00 0.00 66.70 66.71 2ksy h VAL 107 Cb 0.47 1.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2ksy h VAL 107 CO -0.26 0.43 -0.07 0.58 0.02 0.00 0.00 177.57 178.27 2ksy h VAL 108 N 0.68 0.98 -0.90 2.57 2.07 -0.02 -2.15 116.25 119.48 2ksy h VAL 108 Ca 0.10 -0.59 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2ksy h VAL 108 Cb 0.70 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2ksy h VAL 108 CO 0.05 0.14 0.51 0.24 0.02 0.00 0.00 177.57 178.53 2ksy h MET 109 N -0.49 1.24 -0.12 1.57 2.86 -0.86 -1.72 114.93 117.42 2ksy h MET 109 Ca -0.02 -0.13 -0.05 0.00 -2.06 0.00 0.00 59.70 57.44 2ksy h MET 109 Cb 0.38 -0.25 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 2ksy h MET 109 CO 0.03 0.89 -0.15 1.25 1.06 0.00 0.00 176.91 179.99 2ksy h LEU 110 N 1.25 0.17 0.57 1.22 5.85 -1.37 -1.31 115.31 121.70 2ksy h LEU 110 Ca 0.32 -0.04 -0.03 0.00 0.84 0.00 0.00 57.88 58.97 2ksy h LEU 110 Cb -0.00 -0.05 0.01 0.00 0.37 0.00 0.00 40.66 40.99 2ksy h LEU 110 CO -0.05 0.35 -0.28 0.00 -0.34 0.00 0.00 178.44 178.12 2ksy h ALA 111 N 1.67 -0.77 -0.66 1.25 0.00 -0.62 -2.67 119.26 117.46 2ksy h ALA 111 Ca 0.03 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 111 Cb 0.39 0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.44 2ksy h ALA 111 CO 0.02 -0.86 0.40 0.78 0.00 0.00 0.00 179.25 179.60 2ksy h GLY 112 N -0.92 0.95 -0.03 0.00 0.00 -1.37 0.14 103.07 101.84 2ksy h GLY 112 Ca -0.08 -0.38 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2ksy h GLY 112 CO 0.13 0.37 -0.38 -2.75 0.00 0.00 0.00 176.54 173.91 2ksy h PHE 113 N 0.91 -1.12 0.00 5.60 3.04 -1.11 -1.66 116.94 122.60 2ksy h PHE 113 Ca 0.24 0.04 -0.08 0.00 3.98 0.00 0.00 57.97 62.14 2ksy h PHE 113 Cb -0.05 0.49 -0.01 0.00 2.56 0.00 0.00 35.95 38.94 2ksy h PHE 113 CO 0.00 -0.40 -0.39 0.00 -2.02 0.00 0.00 178.31 175.51 2ksy h ALA 114 N -0.71 1.16 -0.91 2.41 0.00 -1.35 -3.10 119.26 116.76 2ksy h ALA 114 Ca 0.01 -0.36 0.19 0.00 0.00 0.00 0.00 54.91 54.76 2ksy h ALA 114 Cb 0.50 -0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.15 2ksy h ALA 114 CO -0.27 0.49 0.60 0.78 0.00 0.00 0.00 179.25 180.85 2ksy h GLY 115 N 1.54 1.03 0.69 0.00 0.00 0.22 -0.64 103.07 105.92 2ksy h GLY 115 Ca -0.00 -0.22 -0.16 0.00 0.00 0.00 0.00 47.33 46.94 2ksy h GLY 115 CO 0.05 0.00 -0.67 0.00 0.00 0.00 0.00 176.54 175.92 2ksy h ALA 116 N 1.61 -0.02 -0.16 3.60 0.00 -1.36 -3.30 119.26 119.64 2ksy h ALA 116 Ca 0.48 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2ksy h ALA 116 Cb 1.08 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ksy h ALA 116 CO -0.21 0.33 0.00 0.00 0.00 0.00 0.00 179.25 179.38 2ksy n MET 117 N -4.20 2.08 -1.70 0.00 0.00 -0.82 -4.94 117.12 107.54 2ksy n MET 117 Ca -0.12 -0.88 -0.39 0.00 0.00 0.00 0.00 57.70 56.31 2ksy n MET 117 Cb 0.73 -1.70 0.04 0.00 0.00 0.00 0.00 33.22 32.29 2ksy n MET 117 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 175.97 177.30 2ksy n VAL 118 N 0.17 3.56 0.85 3.17 0.24 -0.31 -4.89 118.33 121.13 2ksy n VAL 118 Ca 0.08 -0.50 0.11 0.00 -2.04 0.00 0.00 64.34 61.99 2ksy n VAL 118 Cb 0.51 -1.50 0.51 0.00 -1.47 0.00 0.00 33.84 31.88 2ksy n VAL 118 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2ksy n PRO 119 N -0.81 0.07 0.00 7.34 -0.04 -1.26 -4.92 135.00 135.38 2ksy n PRO 119 Ca 0.11 0.10 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2ksy n PRO 119 Cb 0.44 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.40 2ksy n PRO 119 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2ksy n GLY 120 N 0.81 0.87 0.22 0.55 0.00 -1.26 -4.97 105.19 101.41 2ksy n GLY 120 Ca 0.07 0.40 0.05 0.00 0.00 0.00 0.00 46.02 46.53 2ksy n GLY 120 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2ksy n ILE 121 N 0.00 0.14 0.31 -0.61 -5.35 -1.26 -3.95 119.36 108.63 2ksy n ILE 121 Ca 0.00 -0.15 0.19 0.00 -0.27 0.00 0.00 62.75 62.52 2ksy n ILE 121 Cb 0.00 0.04 1.03 0.00 -1.74 0.00 0.00 39.64 38.97 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 0.75 0.00 -0.79 6.28 4.39 -1.93 -2.20 114.58 121.08 2ksy h GLU 122 Ca 0.00 0.00 0.22 0.00 0.34 0.00 0.00 59.36 59.92 2ksy h GLU 122 Cb 0.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 2ksy h GLU 122 CO 0.00 0.00 0.56 0.07 -1.16 0.00 0.00 179.01 178.48 2ksy h ARG 123 N 0.00 0.08 -0.06 2.33 0.11 -1.77 0.20 114.38 115.27 2ksy h ARG 123 Ca 0.00 -0.00 -0.14 0.00 0.10 0.00 0.00 59.98 59.93 2ksy h ARG 123 Cb 0.14 -0.02 -0.01 0.00 1.11 0.00 0.00 29.97 31.19 2ksy h ARG 123 CO 0.00 0.05 -0.60 1.88 0.10 0.00 0.00 179.97 181.40 2ksy h TYR 124 N 0.08 0.28 0.06 4.08 0.05 -1.75 -2.77 116.97 117.00 2ksy h TYR 124 Ca 0.38 -0.11 -0.00 0.00 0.05 0.00 0.00 58.73 59.05 2ksy h TYR 124 Cb 1.40 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.09 2ksy h TYR 124 CO -0.00 0.77 -0.03 0.00 -1.05 0.00 0.00 178.16 177.85 2ksy h ALA 125 N 1.21 -0.08 0.20 3.88 0.00 -0.81 0.11 119.26 123.76 2ksy h ALA 125 Ca -0.01 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 125 Cb 1.10 0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 2ksy h ALA 125 CO 0.09 -0.32 -0.33 -0.07 0.00 0.00 0.00 179.25 178.62 2ksy h LEU 126 N -0.53 -0.92 -1.21 0.00 -0.00 -1.49 -2.26 115.31 108.91 2ksy h LEU 126 Ca -0.01 0.10 -0.06 0.00 -0.00 0.00 0.00 57.88 57.90 2ksy h LEU 126 Cb 0.46 0.34 -0.01 0.00 -0.00 0.00 0.00 40.66 41.44 2ksy h LEU 126 CO 0.01 -0.43 -0.15 0.15 -0.00 0.00 0.00 178.44 178.02 2ksy h PHE 127 N -0.60 0.39 -0.75 1.13 3.57 -1.57 -2.26 116.94 116.85 2ksy h PHE 127 Ca 0.01 -0.06 0.16 0.00 3.53 0.00 0.00 57.97 61.61 2ksy h PHE 127 Cb 0.60 -0.11 -0.11 0.00 2.79 0.00 0.00 35.95 39.12 2ksy h PHE 127 CO -0.26 0.51 0.21 0.78 -2.23 0.00 0.00 178.31 177.32 2ksy h GLY 128 N 0.88 1.07 1.25 2.40 0.00 -0.37 0.73 103.07 109.03 2ksy h GLY 128 Ca 0.06 -0.07 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2ksy h GLY 128 CO 0.03 -0.18 -0.59 1.98 0.00 0.00 0.00 176.54 177.77 2ksy h MET 129 N 0.31 0.78 0.00 4.80 1.85 -1.21 -2.90 114.93 118.56 2ksy h MET 129 Ca 0.42 -0.52 -0.05 0.00 -0.61 0.00 0.00 59.70 58.94 2ksy h MET 129 Cb 0.71 0.07 -0.01 0.00 0.43 0.00 0.00 31.60 32.80 2ksy h MET 129 CO -0.49 1.14 -0.26 0.78 -0.40 0.00 0.00 176.91 177.69 2ksy h GLY 130 N 0.78 0.00 0.26 1.39 0.00 -0.29 -0.94 103.07 104.26 2ksy h GLY 130 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 130 CO 0.12 0.00 -0.04 0.00 0.00 0.00 0.00 176.54 176.62 2ksy h ALA 131 N 1.74 -0.11 -1.00 3.60 0.00 0.41 0.18 119.26 124.08 2ksy h ALA 131 Ca -0.00 -0.28 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2ksy h ALA 131 Cb 0.55 0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.32 2ksy h ALA 131 CO 0.03 -0.19 0.64 0.28 0.00 0.00 0.00 179.25 180.02 2ksy h VAL 132 N -0.86 1.08 -0.15 0.00 2.07 -1.48 -0.76 116.25 116.16 2ksy h VAL 132 Ca -0.01 -0.40 -0.14 0.00 0.82 0.00 0.00 66.70 66.97 2ksy h VAL 132 Cb 0.59 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2ksy h VAL 132 CO 0.02 0.21 -0.49 0.00 0.02 0.00 0.00 177.57 177.33 2ksy h ALA 133 N 1.46 0.89 0.55 1.67 0.00 -1.20 -2.61 119.26 120.01 2ksy h ALA 133 Ca 0.43 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 133 Cb 0.18 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2ksy h ALA 133 CO -0.17 0.66 -0.51 0.35 0.00 0.00 0.00 179.25 179.58 2ksy h PHE 134 N 0.31 -1.39 -0.70 0.00 3.57 0.87 -0.49 116.94 119.10 2ksy h PHE 134 Ca 0.01 0.01 0.11 0.00 3.53 0.00 0.00 57.97 61.63 2ksy h PHE 134 Cb 0.98 0.54 -0.05 0.00 2.79 0.00 0.00 35.95 40.21 2ksy h PHE 134 CO 0.03 -0.68 0.47 -0.84 -2.23 0.00 0.00 178.31 175.05 2ksy h ILE 135 N -1.04 0.88 -0.86 1.41 3.07 -1.49 -0.03 117.51 119.46 2ksy h ILE 135 Ca -0.07 -0.18 0.04 0.00 1.55 0.00 0.00 64.86 66.21 2ksy h ILE 135 Cb 0.89 0.33 -0.06 0.00 -0.27 0.00 0.00 36.82 37.71 2ksy h ILE 135 CO -0.04 0.09 0.54 1.23 -1.05 0.00 0.00 178.15 178.93 2ksy h GLY 136 N 0.51 1.26 0.71 0.16 0.00 -0.88 0.24 103.07 105.07 2ksy h GLY 136 Ca 0.33 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.23 2ksy h GLY 136 CO -0.11 0.32 -0.21 -2.00 0.00 0.00 0.00 176.54 174.54 2ksy h LEU 137 N 1.03 -0.51 -1.97 3.11 5.85 0.54 -2.57 115.31 120.80 2ksy h LEU 137 Ca 0.35 -0.10 0.14 0.00 0.84 0.00 0.00 57.88 59.12 2ksy h LEU 137 Cb 0.07 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2ksy h LEU 137 CO -0.14 -0.15 0.36 -0.37 -0.34 0.00 0.00 178.44 177.80 2ksy h VAL 138 N -0.90 0.76 -0.69 1.05 -1.51 -1.23 0.23 116.25 113.97 2ksy h VAL 138 Ca -0.06 -0.01 -0.02 0.00 -1.23 0.00 0.00 66.70 65.38 2ksy h VAL 138 Cb 0.57 0.72 -0.03 0.00 -2.13 0.00 0.00 31.29 30.42 2ksy h VAL 138 CO 0.10 0.01 0.36 0.22 -1.23 0.00 0.00 177.57 177.03 2ksy h TYR 139 N 0.03 0.96 -0.22 5.19 3.20 -0.29 -1.94 116.97 123.90 2ksy h TYR 139 Ca 0.24 -0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 2ksy h TYR 139 Cb 0.92 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.87 2ksy h TYR 139 CO -0.00 0.69 -0.40 1.88 -1.64 0.00 0.00 178.16 178.69 2ksy h TYR 140 N 0.95 0.60 0.00 -3.82 0.05 -0.19 0.31 116.97 114.86 2ksy h TYR 140 Ca 0.24 -0.17 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2ksy h TYR 140 Cb 0.06 -0.13 -0.00 0.00 1.01 0.00 0.00 36.73 37.67 2ksy h TYR 140 CO -0.00 0.83 -0.10 -0.07 -1.05 0.00 0.00 178.16 177.76 2ksy h LEU 141 N 0.42 0.00 0.00 3.88 4.07 -0.72 -2.15 115.31 120.81 2ksy h LEU 141 Ca 0.04 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.00 2ksy h LEU 141 Cb 0.88 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.62 2ksy h LEU 141 CO 0.07 0.10 -0.97 0.52 -1.08 0.00 0.00 178.44 177.09 2ksy n VAL 142 N -4.01 0.00 0.00 1.22 0.31 -0.78 -3.83 118.33 111.24 2ksy n VAL 142 Ca -0.02 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2ksy n VAL 142 Cb 0.19 0.86 0.00 0.00 -0.91 0.00 0.00 33.84 33.97 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 143 N 1.42 0.45 0.25 2.92 0.00 0.11 -4.41 105.19 105.93 2ksy n GLY 143 Ca 0.02 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.13 2ksy n GLY 143 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy h PRO 144 N 0.00 0.00 -0.02 1.61 0.13 -1.86 -2.90 132.00 128.97 2ksy h PRO 144 Ca 0.00 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 2ksy h PRO 144 Cb 0.00 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.12 2ksy h PRO 144 CO 0.00 0.15 -0.26 0.52 -0.23 0.00 0.00 178.00 178.17 2ksy h MET 145 N 0.00 0.03 0.06 0.86 2.86 -1.81 -0.74 114.93 116.19 2ksy h MET 145 Ca -0.00 -0.01 -0.25 0.00 -2.06 0.00 0.00 59.70 57.38 2ksy h MET 145 Cb 0.53 -0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.17 2ksy h MET 145 CO 0.02 0.29 -1.19 1.15 1.06 0.00 0.00 176.91 178.24 2ksy h THR 146 N 0.03 1.52 0.00 2.22 2.02 -1.61 -2.66 112.91 114.43 2ksy h THR 146 Ca 0.00 -3.18 -0.25 0.00 0.77 0.00 0.00 66.41 63.75 2ksy h THR 146 Cb 0.48 2.85 0.02 0.00 -1.74 0.00 0.00 68.15 69.76 2ksy h THR 146 CO 0.04 0.90 -0.98 -0.08 0.37 0.00 0.00 175.52 175.76 2ksy h GLU 147 N 0.03 0.66 -0.17 6.66 4.81 -1.51 -2.57 114.58 122.50 2ksy h GLU 147 Ca -0.10 -0.72 -0.08 0.00 -0.13 0.00 0.00 59.36 58.34 2ksy h GLU 147 Cb 1.89 0.20 -0.00 0.00 0.63 0.00 0.00 28.75 31.47 2ksy h GLU 147 CO 0.16 1.30 -0.21 1.03 -0.73 0.00 0.00 179.01 180.56 2ksy h SER 148 N 0.32 0.48 0.07 1.04 0.87 -1.25 -3.15 113.55 111.92 2ksy h SER 148 Ca -0.12 -0.50 -0.07 0.00 -1.23 0.00 0.00 61.79 59.87 2ksy h SER 148 Cb 1.64 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 63.46 2ksy h SER 148 CO 0.19 0.88 -0.21 0.00 -0.53 0.00 0.00 176.83 177.17 2ksy h ALA 149 N 0.61 1.38 0.00 6.23 0.00 -1.58 -1.07 119.26 124.83 2ksy h ALA 149 Ca 0.02 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2ksy h ALA 149 Cb 0.77 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.46 2ksy h ALA 149 CO 0.05 0.43 0.00 -1.13 0.00 0.00 0.00 179.25 178.60 2ksy n SER 150 N -4.20 0.00 0.00 0.00 3.41 -0.97 -2.69 113.62 109.17 2ksy n SER 150 Ca -0.01 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 2ksy n SER 150 Cb 0.33 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.28 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ksy n GLN 151 N -0.98 0.54 -0.08 4.33 10.64 -0.72 -4.85 117.38 126.26 2ksy n GLN 151 Ca 0.17 -0.68 -0.14 0.00 -1.83 0.00 0.00 57.00 54.52 2ksy n GLN 151 Cb 0.08 -0.59 -0.10 0.00 -0.86 0.00 0.00 30.24 28.76 2ksy n GLN 151 CO 0.00 0.00 0.00 -0.09 -1.83 0.00 0.00 177.06 175.14 2ksy h ARG 152 N 0.00 0.00 -3.21 2.61 1.12 -1.01 -3.50 114.38 110.39 2ksy h ARG 152 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.87 2ksy h ARG 152 Cb 0.90 0.00 -0.05 0.00 -0.01 0.00 0.00 29.97 30.81 2ksy h ARG 152 CO 0.00 0.82 0.14 -1.12 -3.11 0.00 0.00 179.97 176.70 2ksy s SER 153 N -6.31 -0.09 0.13 -3.80 0.01 -1.26 -5.02 113.70 97.36 2ksy s SER 153 Ca -0.20 -0.85 -0.09 0.00 1.31 0.00 0.00 55.95 56.13 2ksy s SER 153 Cb 0.01 0.72 -0.07 0.00 0.21 0.00 0.00 66.02 66.89 2ksy s SER 153 CO 0.55 -1.38 1.37 -1.28 0.41 0.00 0.00 173.24 172.91 2ksy h SER 154 N 2.06 0.80 1.08 2.44 0.87 -1.96 -3.21 113.55 115.64 2ksy h SER 154 Ca -0.24 -0.51 -0.14 0.00 -1.23 0.00 0.00 61.79 59.67 2ksy h SER 154 Cb 1.25 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 62.95 2ksy h SER 154 CO 0.30 1.29 -0.66 1.23 -0.53 0.00 0.00 176.83 178.47 2ksy h GLY 155 N 0.81 0.00 1.48 5.77 0.00 -1.96 -3.24 103.07 105.92 2ksy h GLY 155 Ca -0.04 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2ksy h GLY 155 CO 0.14 0.00 0.20 -2.22 0.00 0.00 0.00 176.54 174.66 2ksy h ILE 156 N 0.00 1.18 0.48 2.60 1.08 -1.84 -0.62 117.51 120.39 2ksy h ILE 156 Ca -0.01 -0.54 -0.02 0.00 -0.39 0.00 0.00 64.86 63.91 2ksy h ILE 156 Cb 1.37 0.60 -0.00 0.00 -3.07 0.00 0.00 36.82 35.72 2ksy h ILE 156 CO 0.09 0.21 -0.28 0.11 -0.69 0.00 0.00 178.15 177.59 2ksy h LYS 157 N 0.68 -0.69 -0.29 2.37 1.57 -1.58 0.14 116.57 118.76 2ksy h LYS 157 Ca 0.17 0.05 -0.16 0.00 -1.87 0.00 0.00 60.65 58.83 2ksy h LYS 157 Cb 0.12 0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.59 2ksy h LYS 157 CO -0.02 -0.46 -0.47 0.77 -0.57 0.00 0.00 179.45 178.70 2ksy h SER 158 N -0.72 0.86 -0.10 0.86 0.02 -1.67 -2.36 113.55 110.45 2ksy h SER 158 Ca -0.06 -0.43 -0.13 0.00 -0.84 0.00 0.00 61.79 60.34 2ksy h SER 158 Cb 0.58 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 2ksy h SER 158 CO 0.07 1.19 -0.37 0.25 -1.14 0.00 0.00 176.83 176.83 2ksy h LEU 159 N 0.63 0.64 -0.05 5.07 5.85 -1.08 -2.67 115.31 123.69 2ksy h LEU 159 Ca 0.03 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.39 2ksy h LEU 159 Cb 1.05 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.90 2ksy h LEU 159 CO 0.10 0.95 -0.33 0.22 -0.34 0.00 0.00 178.44 179.04 2ksy h TYR 160 N 0.51 0.42 -0.84 1.25 3.20 -0.71 -2.14 116.97 118.66 2ksy h TYR 160 Ca 0.05 -0.19 0.01 0.00 3.14 0.00 0.00 58.73 61.73 2ksy h TYR 160 Cb 0.87 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 39.04 2ksy h TYR 160 CO 0.04 0.95 0.55 -0.39 -1.64 0.00 0.00 178.16 177.67 2ksy h VAL 161 N -0.22 1.21 -0.43 1.81 -1.51 -1.47 0.12 116.25 115.76 2ksy h VAL 161 Ca -0.03 -0.39 -0.15 0.00 -1.23 0.00 0.00 66.70 64.91 2ksy h VAL 161 Cb 1.00 -0.02 -0.01 0.00 -2.13 0.00 0.00 31.29 30.13 2ksy h VAL 161 CO 0.07 0.21 -0.30 -0.09 -1.23 0.00 0.00 177.57 176.22 2ksy h ARG 162 N 1.13 0.97 -0.28 5.19 9.65 -1.54 -0.72 114.38 128.79 2ksy h ARG 162 Ca 0.31 -0.46 -0.08 0.00 -1.10 0.00 0.00 59.98 58.65 2ksy h ARG 162 Cb -0.13 -0.01 -0.01 0.00 -1.39 0.00 0.00 29.97 28.44 2ksy h ARG 162 CO -0.07 1.13 -0.13 -0.07 2.80 0.00 0.00 179.97 183.63 2ksy h LEU 163 N 0.81 0.59 0.12 3.80 4.07 -0.98 -2.60 115.31 121.12 2ksy h LEU 163 Ca 0.09 -0.40 -0.01 0.00 0.08 0.00 0.00 57.88 57.64 2ksy h LEU 163 Cb 0.89 -0.16 0.00 0.00 1.08 0.00 0.00 40.66 42.47 2ksy h LEU 163 CO 0.08 0.86 -0.06 -0.09 -1.08 0.00 0.00 178.44 178.16 2ksy h ARG 164 N 0.31 -0.16 -0.61 1.13 2.43 -0.77 -1.46 114.38 115.25 2ksy h ARG 164 Ca 0.06 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.35 2ksy h ARG 164 Cb 0.64 0.04 -0.08 0.00 -0.42 0.00 0.00 29.97 30.14 2ksy h ARG 164 CO 0.04 0.32 0.17 -0.91 -1.51 0.00 0.00 179.97 178.08 2ksy h ASN 165 N -0.76 0.08 0.16 -3.80 -0.26 -1.23 0.39 115.58 110.16 2ksy h ASN 165 Ca -0.02 0.10 -0.01 0.00 -0.56 0.00 0.00 56.30 55.82 2ksy h ASN 165 Cb 0.55 0.12 0.00 0.00 -1.06 0.00 0.00 38.32 37.93 2ksy h ASN 165 CO 0.03 0.05 -0.08 0.25 -1.06 0.00 0.00 177.43 176.62 2ksy h LEU 166 N 0.31 -0.18 0.39 1.61 6.46 -1.53 -2.77 115.31 119.59 2ksy h LEU 166 Ca 0.32 -0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 57.87 2ksy h LEU 166 Cb 0.46 0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.44 2ksy h LEU 166 CO -0.38 0.09 -0.19 0.74 -0.62 0.00 0.00 178.44 178.08 2ksy h THR 167 N -0.46 0.62 -0.94 1.05 2.02 -0.67 -2.82 112.91 111.71 2ksy h THR 167 Ca -0.02 -0.12 0.16 0.00 0.77 0.00 0.00 66.41 67.20 2ksy h THR 167 Cb 0.36 0.68 -0.10 0.00 -1.74 0.00 0.00 68.15 67.36 2ksy h THR 167 CO 0.04 0.02 0.54 0.58 0.37 0.00 0.00 175.52 177.07 2ksy h VAL 168 N -0.59 0.75 0.49 3.16 2.07 -0.32 0.22 116.25 122.03 2ksy h VAL 168 Ca -0.05 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 2ksy h VAL 168 Cb 0.44 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2ksy h VAL 168 CO 0.09 0.14 -0.24 0.58 0.02 0.00 0.00 177.57 178.16 2ksy h VAL 169 N 0.74 0.00 0.00 2.57 2.07 -1.36 -0.53 116.25 119.75 2ksy h VAL 169 Ca 0.52 -0.05 -0.03 0.00 0.82 0.00 0.00 66.70 67.96 2ksy h VAL 169 Cb 0.73 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.49 2ksy h VAL 169 CO -0.35 0.00 -0.12 0.17 0.02 0.00 0.00 177.57 177.29 2ksy h LEU 170 N -0.72 0.00 -0.67 2.57 8.10 -1.34 -1.81 115.31 121.44 2ksy h LEU 170 Ca -0.07 0.00 -0.14 0.00 0.11 0.00 0.00 57.88 57.78 2ksy h LEU 170 Cb 0.51 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.71 2ksy h LEU 170 CO 0.11 0.12 -0.65 -0.50 -4.11 0.00 0.00 178.44 173.41 2ksy h TRP 171 N 0.00 0.09 0.00 0.17 4.06 -0.54 -2.52 115.95 117.21 2ksy h TRP 171 Ca -0.00 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2ksy h TRP 171 Cb 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 29.16 28.37 2ksy h TRP 171 CO 0.00 0.69 0.00 0.00 -3.56 0.00 0.00 178.44 175.57 2ksy n ALA 172 N -2.43 2.06 0.15 1.49 0.00 -0.21 -2.10 120.51 119.46 2ksy n ALA 172 Ca -0.02 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.43 2ksy n ALA 172 Cb 0.64 -1.33 0.06 0.00 0.00 0.00 0.00 19.45 18.82 2ksy n ALA 172 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 2ksy h ILE 173 N 0.00 0.12 -0.33 0.00 1.08 -1.38 -3.36 117.51 113.64 2ksy h ILE 173 Ca 0.00 -1.19 0.07 0.00 -0.39 0.00 0.00 64.86 63.35 2ksy h ILE 173 Cb 0.21 1.83 -0.06 0.00 -3.07 0.00 0.00 36.82 35.72 2ksy h ILE 173 CO 0.00 0.07 -0.09 1.88 -0.69 0.00 0.00 178.15 179.32 2ksy h TYR 174 N 0.00 -0.19 -1.34 1.37 0.05 -1.52 -0.73 116.97 114.61 2ksy h TYR 174 Ca -0.01 0.03 0.39 0.00 0.05 0.00 0.00 58.73 59.19 2ksy h TYR 174 Cb 1.08 0.14 -0.09 0.00 1.01 0.00 0.00 36.73 38.87 2ksy h TYR 174 CO 0.00 -0.15 0.92 -1.35 -1.05 0.00 0.00 178.16 176.53 2ksy h PRO 175 N -0.01 0.11 0.00 4.88 0.11 -1.78 0.73 132.00 136.04 2ksy h PRO 175 Ca 0.16 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.25 2ksy h PRO 175 Cb 0.25 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2ksy h PRO 175 CO -0.35 0.07 -0.10 0.74 -0.21 0.00 0.00 178.00 178.15 2ksy h PHE 176 N 0.11 0.00 -0.40 0.65 0.04 -1.40 -3.00 116.94 112.94 2ksy h PHE 176 Ca 0.71 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 61.44 2ksy h PHE 176 Cb 2.46 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.59 2ksy h PHE 176 CO -0.00 1.03 0.07 0.82 -0.60 0.00 0.00 178.31 179.62 2ksy h ILE 177 N -1.00 1.19 0.07 -0.55 1.08 -0.52 0.17 117.51 117.96 2ksy h ILE 177 Ca -0.03 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.72 2ksy h ILE 177 Cb 1.01 0.82 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 2ksy h ILE 177 CO -0.02 0.26 -0.04 -0.25 -0.69 0.00 0.00 178.15 177.41 2ksy h TRP 178 N 0.58 -0.09 0.34 1.37 7.01 -1.07 -1.21 115.95 122.87 2ksy h TRP 178 Ca 0.13 -0.00 -0.02 0.00 2.11 0.00 0.00 58.89 61.11 2ksy h TRP 178 Cb 0.27 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.36 2ksy h TRP 178 CO 0.01 0.47 -0.16 1.25 -2.79 0.00 0.00 178.44 177.22 2ksy h LEU 179 N -0.79 -0.38 -0.07 0.65 5.85 -1.46 -1.62 115.31 117.48 2ksy h LEU 179 Ca -0.01 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2ksy h LEU 179 Cb 0.61 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2ksy h LEU 179 CO 0.02 -0.08 0.02 -0.07 -0.34 0.00 0.00 178.44 177.98 2ksy h LEU 180 N -0.69 0.10 -9.70 2.25 3.38 -0.81 0.26 115.31 110.11 2ksy h LEU 180 Ca -0.05 -0.22 -0.32 0.00 0.09 0.00 0.00 57.88 57.39 2ksy h LEU 180 Cb 0.48 -0.03 0.19 0.00 0.09 0.00 0.00 40.66 41.40 2ksy h LEU 180 CO 0.08 0.29 -0.16 0.61 0.09 0.00 0.00 178.44 179.35 2ksy n GLY 181 N -0.53 -3.59 0.29 0.83 0.00 -0.46 0.09 105.19 101.83 2ksy n GLY 181 Ca -0.06 -1.50 0.10 0.00 0.00 0.00 0.00 46.02 44.55 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N -3.46 0.23 -0.63 1.61 0.11 -1.83 0.74 132.00 128.77 2ksy h PRO 182 Ca -0.35 -0.01 0.18 0.00 0.11 0.00 0.00 66.00 65.93 2ksy h PRO 182 Cb 1.17 -0.05 -0.03 0.00 0.11 0.00 0.00 31.00 32.21 2ksy h PRO 182 CO 0.21 0.15 0.73 -1.35 -0.21 0.00 0.00 178.00 177.53 2ksy h PRO 183 N 0.24 0.00 0.00 1.05 0.11 -1.87 -3.36 132.00 128.17 2ksy h PRO 183 Ca 0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.61 2ksy h PRO 183 Cb 0.94 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.05 2ksy h PRO 183 CO -0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.60 2ksy n GLY 184 N -1.56 0.06 0.00 -0.55 0.00 -0.47 -4.57 105.19 98.10 2ksy n GLY 184 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 2ksy n GLY 184 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ksy n VAL 185 N -0.99 0.00 -2.84 1.61 0.24 0.92 -5.01 118.33 112.27 2ksy n VAL 185 Ca 0.00 -0.48 -0.05 0.00 -2.04 0.00 0.00 64.34 61.77 2ksy n VAL 185 Cb 0.00 1.01 0.01 0.00 -1.47 0.00 0.00 33.84 33.38 2ksy n VAL 185 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2ksy n ALA 186 N -0.82 -3.16 -0.11 2.33 0.00 0.57 -4.90 120.51 114.42 2ksy n ALA 186 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 53.44 53.91 2ksy n ALA 186 Cb 0.00 -2.04 -0.11 0.00 0.00 0.00 0.00 19.45 17.30 2ksy n ALA 186 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksy n LEU 187 N 0.34 1.93 0.00 0.00 4.77 0.11 -4.87 117.00 119.29 2ksy n LEU 187 Ca 0.04 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2ksy n LEU 187 Cb 0.24 -0.95 0.00 0.00 -2.33 0.00 0.00 43.42 40.38 2ksy n LEU 187 CO 0.43 0.38 0.00 0.18 -1.33 0.00 0.00 177.39 177.05 2ksy n LEU 188 N -4.33 0.00 -4.79 2.23 4.77 -1.26 -5.08 117.00 108.53 2ksy n LEU 188 Ca -0.37 0.00 -0.38 0.00 -0.03 0.00 0.00 56.01 55.23 2ksy n LEU 188 Cb 0.75 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.78 2ksy n LEU 188 CO 0.17 0.00 0.19 -0.89 -1.33 0.00 0.00 177.39 175.53 2ksy s THR 189 N 1.72 4.98 0.20 -5.08 2.01 -1.26 -4.87 115.64 113.33 2ksy s THR 189 Ca 0.00 1.01 -0.19 0.00 0.31 0.00 0.00 61.69 62.82 2ksy s THR 189 Cb 0.00 -3.81 0.17 0.00 0.01 0.00 0.00 72.50 68.87 2ksy s THR 189 CO 0.00 0.49 1.58 -0.65 -0.69 0.00 0.00 174.62 175.35 2ksy h PRO 190 N 5.27 -0.10 -0.79 4.92 0.11 -1.99 0.18 132.00 139.60 2ksy h PRO 190 Ca -0.48 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.72 2ksy h PRO 190 Cb 1.21 0.02 -0.05 0.00 0.11 0.00 0.00 31.00 32.29 2ksy h PRO 190 CO 0.66 -0.07 0.52 0.00 -0.21 0.00 0.00 178.00 178.90 2ksy h THR 191 N -0.11 0.99 -0.27 -1.15 1.03 -1.96 -1.01 112.91 110.43 2ksy h THR 191 Ca 0.27 -0.27 -0.14 0.00 -0.01 0.00 0.00 66.41 66.27 2ksy h THR 191 Cb 0.56 0.14 -0.00 0.00 -1.07 0.00 0.00 68.15 67.78 2ksy h THR 191 CO -0.76 0.14 -0.37 0.58 -0.01 0.00 0.00 175.52 175.11 2ksy h VAL 192 N 0.78 1.30 -0.89 0.00 2.07 -1.14 -2.42 116.25 115.96 2ksy h VAL 192 Ca 0.35 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 2ksy h VAL 192 Cb 0.35 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.72 2ksy h VAL 192 CO -0.13 0.50 0.49 -0.78 0.02 0.00 0.00 177.57 177.67 2ksy h ASP 193 N 0.47 1.12 -0.30 0.57 3.58 -0.19 -1.93 116.42 119.75 2ksy h ASP 193 Ca 0.03 -0.10 -0.07 0.00 0.42 0.00 0.00 57.03 57.31 2ksy h ASP 193 Cb 0.95 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.70 2ksy h ASP 193 CO 0.09 0.90 -0.04 0.58 -2.88 0.00 0.00 179.24 177.89 2ksy h VAL 194 N 1.25 1.23 -0.26 2.25 2.07 -1.16 -1.42 116.25 120.21 2ksy h VAL 194 Ca 0.31 -0.97 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2ksy h VAL 194 Cb 0.03 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2ksy h VAL 194 CO -0.05 0.33 0.08 0.00 0.02 0.00 0.00 177.57 177.95 2ksy h ALA 195 N 1.34 0.29 -0.34 1.67 0.00 -0.83 0.21 119.26 121.59 2ksy h ALA 195 Ca 0.12 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 195 Cb 0.44 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ksy h ALA 195 CO 0.02 -0.33 -0.12 -0.07 0.00 0.00 0.00 179.25 178.75 2ksy h LEU 196 N 0.19 0.71 0.59 0.00 3.38 -1.29 -1.10 115.31 117.79 2ksy h LEU 196 Ca 0.11 -0.39 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 2ksy h LEU 196 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2ksy h LEU 196 CO -0.13 0.93 -0.39 0.40 0.09 0.00 0.00 178.44 179.35 2ksy h ILE 197 N 0.47 0.21 -0.70 1.22 1.08 -0.97 0.33 117.51 119.15 2ksy h ILE 197 Ca 0.08 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.68 2ksy h ILE 197 Cb 0.65 0.21 -0.05 0.00 -3.07 0.00 0.00 36.82 34.56 2ksy h ILE 197 CO 0.04 0.00 0.47 0.58 -0.69 0.00 0.00 178.15 178.55 2ksy h VAL 198 N -0.94 0.84 -0.03 1.67 2.07 -0.62 0.25 116.25 119.49 2ksy h VAL 198 Ca -0.07 -0.15 -0.10 0.00 0.82 0.00 0.00 66.70 67.20 2ksy h VAL 198 Cb 0.77 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2ksy h VAL 198 CO 0.06 0.08 -0.47 0.22 0.02 0.00 0.00 177.57 177.48 2ksy h TYR 199 N 0.43 0.08 -0.09 1.57 3.20 -0.23 -1.00 116.97 120.93 2ksy h TYR 199 Ca 0.34 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.15 2ksy h TYR 199 Cb 0.72 -0.02 -0.00 0.00 1.54 0.00 0.00 36.73 38.97 2ksy h TYR 199 CO -0.00 0.52 -0.08 -0.07 -1.64 0.00 0.00 178.16 176.88 2ksy h LEU 200 N 0.05 0.23 -0.36 2.82 3.38 0.31 0.11 115.31 121.86 2ksy h LEU 200 Ca 0.00 -0.48 -0.17 0.00 0.09 0.00 0.00 57.88 57.32 2ksy h LEU 200 Cb 0.85 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.53 2ksy h LEU 200 CO 0.06 0.66 -0.48 0.44 0.09 0.00 0.00 178.44 179.22 2ksy h ASP 201 N -0.19 0.96 0.74 -0.43 5.19 -1.41 -2.64 116.42 118.65 2ksy h ASP 201 Ca 0.02 -0.48 -0.08 0.00 -0.62 0.00 0.00 57.03 55.86 2ksy h ASP 201 Cb 0.59 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.82 2ksy h ASP 201 CO 0.02 1.28 -0.38 0.25 -3.12 0.00 0.00 179.24 177.29 2ksy h LEU 202 N 0.70 0.00 0.10 1.55 5.85 -1.20 -3.12 115.31 119.18 2ksy h LEU 202 Ca 0.03 0.00 -0.27 0.00 0.84 0.00 0.00 57.88 58.48 2ksy h LEU 202 Cb 1.08 0.00 0.01 0.00 0.37 0.00 0.00 40.66 42.12 2ksy h LEU 202 CO 0.11 0.38 -1.23 1.62 -0.34 0.00 0.00 178.44 178.98 2ksy h VAL 203 N 0.00 1.46 0.00 1.05 3.04 -0.69 -2.62 116.25 118.49 2ksy h VAL 203 Ca -0.00 -2.92 0.00 0.00 -1.01 0.00 0.00 66.70 62.77 2ksy h VAL 203 Cb 0.85 2.88 0.00 0.00 -2.01 0.00 0.00 31.29 33.00 2ksy h VAL 203 CO 0.05 0.86 0.00 0.41 -1.01 0.00 0.00 177.57 177.88 2ksy n THR 204 N -3.59 0.00 0.00 3.17 -1.04 -1.00 0.59 114.28 112.41 2ksy n THR 204 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.92 2ksy n THR 204 Cb 1.00 -0.45 0.00 0.00 -1.82 0.00 0.00 70.33 69.06 2ksy n THR 204 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 2ksy n VAL 206 N -0.60 0.00 0.36 12.58 0.31 -0.99 -2.21 118.33 127.79 2ksy n VAL 206 Ca 0.01 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.18 2ksy n VAL 206 Cb 0.01 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.85 2ksy n VAL 206 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 2ksy h GLY 207 N 0.00 -1.17 2.00 2.92 0.00 0.01 -0.42 103.07 106.41 2ksy h GLY 207 Ca 0.00 0.47 -0.10 0.00 0.00 0.00 0.00 47.33 47.70 2ksy h GLY 207 CO 0.00 -0.40 -0.48 0.27 0.00 0.00 0.00 176.54 175.94 2ksy h PHE 208 N -1.01 0.00 -0.33 5.60 -5.15 -1.58 -2.83 116.94 111.64 2ksy h PHE 208 Ca -0.09 0.00 -0.04 0.00 -0.20 0.00 0.00 57.97 57.64 2ksy h PHE 208 Cb 0.80 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.96 2ksy h PHE 208 CO -0.06 0.48 0.03 0.78 -2.00 0.00 0.00 178.31 177.54 2ksy h GLY 209 N 2.11 0.54 0.57 6.09 0.00 -1.71 1.66 103.07 112.32 2ksy h GLY 209 Ca -0.00 -0.30 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 2ksy h GLY 209 CO 0.06 0.28 -0.18 0.74 0.00 0.00 0.00 176.54 177.44 2ksy h PHE 210 N 0.49 0.28 0.00 5.60 0.04 -0.87 -2.06 116.94 120.42 2ksy h PHE 210 Ca 0.11 -0.12 -0.02 0.00 2.80 0.00 0.00 57.97 60.74 2ksy h PHE 210 Cb 0.27 -0.05 -0.00 0.00 2.20 0.00 0.00 35.95 38.37 2ksy h PHE 210 CO 0.01 0.80 -0.11 0.82 -0.60 0.00 0.00 178.31 179.23 2ksy h ILE 211 N -0.32 0.83 -0.74 -0.55 2.04 -1.26 -1.77 117.51 115.73 2ksy h ILE 211 Ca -0.01 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.42 2ksy h ILE 211 Cb 0.81 1.24 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 2ksy h ILE 211 CO 0.04 0.11 0.39 0.00 0.00 0.00 0.00 178.15 178.69 2ksy h ALA 212 N 1.89 0.95 0.03 1.87 0.00 0.28 -1.51 119.26 122.77 2ksy h ALA 212 Ca -0.00 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2ksy h ALA 212 Cb 0.23 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ksy h ALA 212 CO 0.01 0.48 -0.01 -0.07 0.00 0.00 0.00 179.25 179.67 2ksy h LEU 213 N 1.03 -0.03 0.17 0.00 3.38 -0.63 -1.43 115.31 117.80 2ksy h LEU 213 Ca 0.26 -0.31 0.01 0.00 0.09 0.00 0.00 57.88 57.93 2ksy h LEU 213 Cb 0.06 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 2ksy h LEU 213 CO -0.04 0.30 -0.25 -0.78 0.09 0.00 0.00 178.44 177.76 2ksy h ASP 214 N -0.36 -0.70 0.52 -0.43 3.58 -1.39 0.15 116.42 117.79 2ksy h ASP 214 Ca -0.00 0.08 -0.02 0.00 0.42 0.00 0.00 57.03 57.51 2ksy h ASP 214 Cb 0.34 0.26 -0.01 0.00 1.72 0.00 0.00 39.33 41.64 2ksy h ASP 214 CO 0.01 -0.35 -0.37 0.00 -2.88 0.00 0.00 179.24 175.64 2ksy h ALA 215 N 0.23 -0.90 -0.67 -0.78 0.00 -1.33 -2.30 119.26 113.52 2ksy h ALA 215 Ca 0.02 -0.17 0.13 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 215 Cb 0.49 0.49 -0.04 0.00 0.00 0.00 0.00 17.79 18.73 2ksy h ALA 215 CO -0.11 -1.03 0.45 0.00 0.00 0.00 0.00 179.25 178.56 2ksy h ALA 216 N -0.51 2.12 -0.70 0.00 0.00 -1.18 0.11 119.26 119.09 2ksy h ALA 216 Ca -0.06 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2ksy h ALA 216 Cb 0.73 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.43 2ksy h ALA 216 CO 0.02 -0.29 0.36 0.00 0.00 0.00 0.00 179.25 179.34 2ksy h ALA 217 N 1.68 1.31 0.03 0.00 0.00 -0.16 -1.86 119.26 120.26 2ksy h ALA 217 Ca 0.32 -0.12 -0.23 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 217 Cb 0.75 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2ksy h ALA 217 CO -0.09 0.55 -1.00 1.15 0.00 0.00 0.00 179.25 179.86 2ksy h THR 218 N 0.98 1.44 -0.96 0.00 2.02 -0.39 -1.70 112.91 114.30 2ksy h THR 218 Ca 0.25 -2.63 0.01 0.00 0.77 0.00 0.00 66.41 64.80 2ksy h THR 218 Cb 0.07 2.55 -0.05 0.00 -1.74 0.00 0.00 68.15 68.98 2ksy h THR 218 CO -0.04 0.78 0.63 -0.07 0.37 0.00 0.00 175.52 177.19 2ksy h LEU 219 N 0.17 1.11 0.00 2.58 3.38 -0.63 0.84 115.31 122.77 2ksy h LEU 219 Ca -0.09 -0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.75 2ksy h LEU 219 Cb 1.66 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 42.11 2ksy h LEU 219 CO 0.17 0.81 -0.73 0.08 0.09 0.00 0.00 178.44 178.86 2ksy h ARG 220 N 1.31 0.00 0.00 1.13 0.11 -1.39 -2.81 114.38 112.73 2ksy h ARG 220 Ca 0.35 0.00 -0.08 0.00 0.10 0.00 0.00 59.98 60.35 2ksy h ARG 220 Cb -0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 30.93 2ksy h ARG 220 CO -0.08 0.35 -0.38 0.00 0.10 0.00 0.00 179.97 179.96 2ksy h ALA 221 N 1.58 0.86 0.00 0.08 0.00 -0.47 -3.13 119.26 118.18 2ksy h ALA 221 Ca -0.04 -0.35 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 2ksy h ALA 221 Cb 1.36 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 2ksy h ALA 221 CO 0.05 0.48 -1.47 -0.85 0.00 0.00 0.00 179.25 177.45 2ksy n GLU 222 N -3.35 0.63 -1.13 0.00 0.28 0.21 -5.06 120.64 112.23 2ksy n GLU 222 Ca 0.01 0.13 0.14 0.00 -0.16 0.00 0.00 57.16 57.28 2ksy n GLU 222 Cb 0.59 -1.75 -0.07 0.00 1.43 0.00 0.00 31.44 31.64 2ksy n GLU 222 CO 0.00 0.00 0.00 0.72 -0.16 0.00 0.00 177.13 177.69 2ksy n HIS 223 N -2.76 -2.98 -2.71 -1.84 8.25 -1.06 -4.51 115.22 107.61 2ksy n HIS 223 Ca -0.09 1.61 -0.43 0.00 -0.26 0.00 0.00 57.72 58.55 2ksy n HIS 223 Cb 0.77 -2.71 0.00 0.00 1.12 0.00 0.00 29.99 29.17 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2ksy n GLY 224 N -3.87 4.57 3.86 -1.41 0.00 -1.26 -4.98 105.19 102.10 2ksy n GLY 224 Ca -0.05 -2.27 -0.37 0.00 0.00 0.00 0.00 46.02 43.33 2ksy n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksy s GLU 225 N -0.35 3.69 1.07 1.61 2.56 -1.26 -5.06 118.70 120.94 2ksy s GLU 225 Ca 0.37 0.12 -0.16 0.00 0.00 0.00 0.00 54.97 55.30 2ksy s GLU 225 Cb 0.04 -3.16 0.23 0.00 2.00 0.00 0.00 34.13 33.24 2ksy s GLU 225 CO 0.02 0.70 1.16 -1.12 -0.56 0.00 0.00 175.26 175.46 2ksy s SER 226 N -1.26 2.12 -0.09 -1.70 0.01 -1.26 -5.03 113.70 106.48 2ksy s SER 226 Ca 0.23 0.67 -0.15 0.00 1.31 0.00 0.00 55.95 58.01 2ksy s SER 226 Cb -0.14 -0.98 -0.05 0.00 0.21 0.00 0.00 66.02 65.06 2ksy s SER 226 CO 0.12 -3.39 0.36 -0.76 0.41 0.00 0.00 173.24 169.98 2ksy s LEU 227 N -6.47 4.34 0.00 2.44 2.01 -1.26 -4.97 118.68 114.77 2ksy s LEU 227 Ca 0.70 0.73 0.21 0.00 0.01 0.00 0.00 54.13 55.77 2ksy s LEU 227 Cb -0.10 -2.50 0.56 0.00 0.01 0.00 0.00 46.19 44.16 2ksy s LEU 227 CO 0.55 0.17 1.47 0.00 1.01 0.00 0.00 176.35 179.56 2ksy n ALA 228 N 2.89 2.40 -0.06 4.21 0.00 -1.26 -4.43 120.51 124.26 2ksy n ALA 228 Ca -0.12 -1.10 -0.07 0.00 0.00 0.00 0.00 53.44 52.16 2ksy n ALA 228 Cb 0.52 -0.94 -0.05 0.00 0.00 0.00 0.00 19.45 18.98 2ksy n ALA 228 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2ksy h GLY 229 N 4.59 0.00 -1.14 0.00 0.00 -2.05 -3.48 103.07 100.98 2ksy h GLY 229 Ca 0.00 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 46.70 2ksy h GLY 229 CO 0.00 0.00 -0.52 -1.34 0.00 0.00 0.00 176.54 174.68 2ksy s VAL 230 N -1.93 1.70 -0.28 4.60 -7.23 -1.26 -5.13 120.40 110.87 2ksy s VAL 230 Ca -0.11 -1.89 -0.01 0.00 -1.81 0.00 0.00 61.98 58.16 2ksy s VAL 230 Cb 0.00 -2.59 0.09 0.00 0.56 0.00 0.00 36.38 34.44 2ksy s VAL 230 CO 0.27 0.00 0.08 -1.81 -0.31 0.00 0.00 175.10 173.33 2ksy s ASP 231 N -3.87 3.72 0.00 4.85 1.11 -1.26 -4.89 116.67 116.33 2ksy s ASP 231 Ca 0.25 -1.40 0.00 0.00 0.18 0.00 0.00 52.55 51.58 2ksy s ASP 231 Cb 0.04 -0.78 0.00 0.00 1.07 0.00 0.00 42.92 43.26 2ksy s ASP 231 CO 0.13 -0.38 0.00 1.07 1.18 0.00 0.00 175.17 177.17 2ksy n THR 232 N 4.92 0.00 -4.24 -1.27 5.66 -1.26 -5.10 114.28 112.99 2ksy n THR 232 Ca -0.04 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 60.76 2ksy n THR 232 Cb 0.43 -0.32 -0.12 0.00 -1.55 0.00 0.00 70.33 68.78 2ksy n THR 232 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 2ksy s ASP 233 N -2.11 2.06 -0.00 1.09 1.47 -1.26 -5.15 116.67 112.77 2ksy s ASP 233 Ca 0.00 -0.74 -0.09 0.00 1.18 0.00 0.00 52.55 52.90 2ksy s ASP 233 Cb 0.00 -0.08 -0.05 0.00 -0.34 0.00 0.00 42.92 42.45 2ksy s ASP 233 CO 0.00 -0.08 0.30 0.42 0.68 0.00 0.00 175.17 176.49 2ksy s THR 234 N -1.75 5.24 1.10 2.11 -4.23 -1.26 -5.06 115.64 111.80 2ksy s THR 234 Ca 0.06 0.36 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 2ksy s THR 234 Cb -0.07 -3.58 0.25 0.00 1.34 0.00 0.00 72.50 70.44 2ksy s THR 234 CO 0.03 0.43 1.06 -2.84 -0.54 0.00 0.00 174.62 172.77 2ksy s PRO 235 N -1.53 -0.44 1.02 3.99 0.02 -1.26 -5.01 135.00 131.79 2ksy s PRO 235 Ca 0.26 1.05 -0.13 0.00 0.02 0.00 0.00 61.00 62.20 2ksy s PRO 235 Cb -0.14 -1.59 0.20 0.00 0.02 0.00 0.00 34.50 32.99 2ksy s PRO 235 CO 0.14 -3.46 1.10 0.00 -0.33 0.00 0.00 177.00 174.45 2ksy s ALA 236 N -2.50 0.98 0.19 -1.55 0.00 -1.26 -4.84 121.76 112.79 2ksy s ALA 236 Ca 0.68 -0.50 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2ksy s ALA 236 Cb -0.25 -3.06 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2ksy s ALA 236 CO 0.63 -2.90 0.00 0.28 0.00 0.00 0.00 175.76 173.77 2ksy n VAL 237 N -4.22-11.20 -1.65 0.00 0.31 -1.26 -4.89 118.33 95.42 2ksy n VAL 237 Ca 0.06 2.83 -0.41 0.00 -0.01 0.00 0.00 64.34 66.81 2ksy n VAL 237 Cb 0.58 -4.83 0.02 0.00 -0.91 0.00 0.00 33.84 28.70 2ksy n VAL 237 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2ksy n ALA 238 N 1.49 0.65 -2.01 3.52 0.00 -1.26 -4.86 120.51 118.05 2ksy n ALA 238 Ca 0.00 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.22 2ksy n ALA 238 Cb 0.00 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.26 2ksy n ALA 238 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2ksy s ASP 239 N -0.73 6.27 -0.28 0.00 1.11 -1.26 -4.96 116.67 116.82 2ksy s ASP 239 Ca 0.64 1.75 -0.26 0.00 0.18 0.00 0.00 52.55 54.86 2ksy s ASP 239 Cb -0.52 -2.53 0.01 0.00 1.07 0.00 0.00 42.92 40.95 2ksy s ASP 239 CO 0.56 -1.33 0.93 -0.76 1.18 0.00 0.00 175.17 175.75 2ksy s LEU 240 N 5.52 4.04 -0.12 1.23 1.43 -1.26 -4.88 118.68 124.64 2ksy s LEU 240 Ca 0.77 1.01 0.08 0.00 -1.03 0.00 0.00 54.13 54.95 2ksy s LEU 240 Cb -0.28 -3.33 -0.13 0.00 0.03 0.00 0.00 46.19 42.48 2ksy s LEU 240 CO 0.31 -0.68 0.00 1.21 0.23 0.00 0.00 176.35 177.42 2ksy n GLU 241 N 6.38 1.79 0.17 1.70 2.13 -1.26 -4.40 120.64 127.14 2ksy n GLU 241 Ca 0.08 0.01 0.13 0.00 0.66 0.00 0.00 57.16 58.05 2ksy n GLU 241 Cb 0.47 -1.29 0.55 0.00 0.27 0.00 0.00 31.44 31.45 2ksy n GLU 241 CO 0.00 0.00 0.00 1.12 -0.41 0.00 0.00 177.13 177.84 2ksy h HIS 242 N 0.00 0.00 -0.63 4.31 2.07 -2.03 -3.41 115.15 115.45 2ksy h HIS 242 Ca -0.31 0.00 0.19 0.00 -2.85 0.00 0.00 60.37 57.40 2ksy h HIS 242 Cb 1.65 0.00 -0.21 0.00 2.57 0.00 0.00 27.41 31.42 2ksy h HIS 242 CO 0.00 0.00 0.04 -1.58 -3.07 0.00 0.00 177.93 173.33 2ksy s HIS 243 N -3.42 -0.84 -0.14 6.12 2.46 -1.26 -5.06 115.29 113.15 2ksy s HIS 243 Ca 0.03 0.98 -0.06 0.00 0.47 0.00 0.00 55.06 56.48 2ksy s HIS 243 Cb 0.09 0.33 -0.06 0.00 -0.13 0.00 0.00 32.58 32.81 2ksy s HIS 243 CO 0.41 -0.45 -0.17 1.58 -2.47 0.00 0.00 174.74 173.63 2ksy n HIS 244 N 5.38 0.00 -4.91 3.88 -0.00 -1.26 -4.80 115.22 113.51 2ksy n HIS 244 Ca -0.06 0.00 -0.27 0.00 -0.00 0.00 0.00 57.72 57.40 2ksy n HIS 244 Cb 0.53 -0.49 -0.15 0.00 -0.00 0.00 0.00 29.99 29.87 2ksy n HIS 244 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ksy s HIS 245 N -2.25 1.81 -0.30 1.57 5.04 -1.26 -5.08 115.29 114.82 2ksy s HIS 245 Ca -0.19 -0.35 -0.28 0.00 -1.54 0.00 0.00 55.06 52.70 2ksy s HIS 245 Cb 0.07 -1.15 -0.05 0.00 0.04 0.00 0.00 32.58 31.50 2ksy s HIS 245 CO 0.25 -0.00 2.20 -1.01 -2.34 0.00 0.00 174.74 173.83 2ksy s HIS 246 N -0.55 1.23 -2.50 3.88 3.76 -1.26 -5.23 115.29 114.63 2ksy s HIS 246 Ca 0.08 0.78 0.28 0.00 -0.15 0.00 0.00 55.06 56.05 2ksy s HIS 246 Cb -0.08 -3.88 1.06 0.00 1.11 0.00 0.00 32.58 30.79 2ksy s HIS 246 CO -0.00 -3.57 1.75 -2.39 -0.85 0.00 0.00 174.74 169.68