#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 0.22 2.03 0.24 -1.26 -4.80 118.33 114.76 2ksy n VAL 2 Ca 0.00 0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.42 2ksy n VAL 2 Cb 0.00 -0.25 0.19 0.00 -1.47 0.00 0.00 33.84 32.31 2ksy n VAL 2 CO 0.00 0.00 0.00 1.23 -2.14 0.00 0.00 176.83 175.92 2ksy h GLY 3 N 0.00 0.00 1.36 7.63 0.00 -2.02 -3.27 103.07 106.76 2ksy h GLY 3 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 3 CO 0.00 0.00 -0.91 -2.00 0.00 0.00 0.00 176.54 173.63 2ksy h LEU 4 N 0.00 0.75 -1.59 3.11 5.85 -2.01 -3.21 115.31 118.21 2ksy h LEU 4 Ca -0.00 -0.56 -0.02 0.00 0.84 0.00 0.00 57.88 58.14 2ksy h LEU 4 Cb 0.99 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.78 2ksy h LEU 4 CO 0.00 1.35 0.06 0.71 -0.34 0.00 0.00 178.44 180.22 2ksy h THR 5 N 0.37 1.11 -0.82 1.05 1.35 -1.86 -2.29 112.91 111.82 2ksy h THR 5 Ca -0.08 -0.39 0.14 0.00 -0.55 0.00 0.00 66.41 65.52 2ksy h THR 5 Cb 1.54 0.87 -0.06 0.00 -1.73 0.00 0.00 68.15 68.77 2ksy h THR 5 CO 0.17 0.14 0.53 0.71 -0.25 0.00 0.00 175.52 176.83 2ksy h THR 6 N 0.33 0.84 0.13 6.82 1.35 -1.65 -1.23 112.91 119.49 2ksy h THR 6 Ca 0.08 -0.20 0.01 0.00 -0.55 0.00 0.00 66.41 65.75 2ksy h THR 6 Cb 0.12 0.20 -0.02 0.00 -1.73 0.00 0.00 68.15 66.73 2ksy h THR 6 CO -0.00 0.11 -0.17 -0.07 -0.25 0.00 0.00 175.52 175.14 2ksy h LEU 7 N 0.58 -0.45 -1.27 3.87 -0.00 -1.56 0.22 115.31 116.71 2ksy h LEU 7 Ca 0.40 0.05 -0.06 0.00 -0.00 0.00 0.00 57.88 58.27 2ksy h LEU 7 Cb 0.73 0.17 -0.01 0.00 -0.00 0.00 0.00 40.66 41.54 2ksy h LEU 7 CO -0.16 -0.25 -0.13 -0.26 -0.00 0.00 0.00 178.44 177.65 2ksy h PHE 8 N -0.34 0.36 -0.38 1.13 0.04 -1.47 -1.98 116.94 114.29 2ksy h PHE 8 Ca 0.01 -0.05 -0.04 0.00 2.80 0.00 0.00 57.97 60.70 2ksy h PHE 8 Cb 0.34 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.38 2ksy h PHE 8 CO -0.16 0.47 0.10 -1.49 -0.60 0.00 0.00 178.31 176.63 2ksy h TRP 9 N 0.32 0.64 -0.49 -0.55 -0.00 -0.70 -0.21 115.95 114.96 2ksy h TRP 9 Ca 0.06 -0.07 -0.01 0.00 -0.00 0.00 0.00 58.89 58.87 2ksy h TRP 9 Cb 0.42 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.16 29.38 2ksy h TRP 9 CO 0.01 0.62 0.26 -0.07 -0.00 0.00 0.00 178.44 179.26 2ksy h LEU 10 N 0.48 0.62 -1.50 -4.49 3.38 -0.65 -2.03 115.31 111.12 2ksy h LEU 10 Ca 0.12 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2ksy h LEU 10 Cb 0.30 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2ksy h LEU 10 CO 0.00 0.54 -0.26 1.23 0.09 0.00 0.00 178.44 180.05 2ksy h GLY 11 N 0.65 0.00 1.71 0.83 0.00 -1.16 -2.40 103.07 102.70 2ksy h GLY 11 Ca 0.17 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.36 2ksy h GLY 11 CO -0.03 0.00 -0.55 0.00 0.00 0.00 0.00 176.54 175.96 2ksy h ALA 12 N 1.74 0.87 0.28 3.60 0.00 -0.42 -0.99 119.26 124.35 2ksy h ALA 12 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.38 2ksy h ALA 12 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 2ksy h ALA 12 CO 0.03 0.69 -0.13 0.82 0.00 0.00 0.00 179.25 180.66 2ksy h ILE 13 N 0.23 0.75 -0.72 0.00 2.04 -0.89 -0.22 117.51 118.70 2ksy h ILE 13 Ca 0.00 -0.57 -0.02 0.00 1.00 0.00 0.00 64.86 65.27 2ksy h ILE 13 Cb 1.05 1.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.14 2ksy h ILE 13 CO 0.09 0.12 0.37 1.23 0.00 0.00 0.00 178.15 179.95 2ksy h GLY 14 N -0.69 1.09 0.97 5.37 0.00 -1.52 -2.42 103.07 105.87 2ksy h GLY 14 Ca -0.04 -0.50 -0.03 0.00 0.00 0.00 0.00 47.33 46.75 2ksy h GLY 14 CO 0.06 0.48 0.20 1.98 0.00 0.00 0.00 176.54 179.27 2ksy h MET 15 N 1.02 0.78 -0.95 4.80 1.85 -1.13 -2.33 114.93 118.98 2ksy h MET 15 Ca 0.25 -0.15 0.10 0.00 -0.61 0.00 0.00 59.70 59.30 2ksy h MET 15 Cb 0.07 -0.12 -0.07 0.00 0.43 0.00 0.00 31.60 31.90 2ksy h MET 15 CO -0.04 0.69 0.61 1.25 -0.40 0.00 0.00 176.91 179.02 2ksy h LEU 16 N 0.70 0.87 -0.43 3.39 7.12 -0.57 0.40 115.31 126.79 2ksy h LEU 16 Ca 0.17 0.03 0.01 0.00 0.13 0.00 0.00 57.88 58.22 2ksy h LEU 16 Cb 0.21 -0.15 -0.02 0.00 -0.53 0.00 0.00 40.66 40.17 2ksy h LEU 16 CO -0.01 0.50 0.28 0.58 -0.13 0.00 0.00 178.44 179.66 2ksy h VAL 17 N 0.96 1.11 -0.34 1.05 2.07 -1.02 -1.84 116.25 118.25 2ksy h VAL 17 Ca 0.45 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.75 2ksy h VAL 17 Cb 0.41 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2ksy h VAL 17 CO -0.21 0.11 0.15 1.23 0.02 0.00 0.00 177.57 178.87 2ksy h GLY 18 N 0.58 0.53 0.19 2.17 0.00 -0.82 -1.22 103.07 104.50 2ksy h GLY 18 Ca 0.16 -0.27 0.13 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 18 CO -0.04 0.26 0.26 -0.84 0.00 0.00 0.00 176.54 176.18 2ksy h THR 19 N 0.40 0.67 -0.19 4.70 2.02 -0.64 -1.03 112.91 118.84 2ksy h THR 19 Ca 0.11 -0.14 -0.14 0.00 0.77 0.00 0.00 66.41 67.02 2ksy h THR 19 Cb 0.15 0.22 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 2ksy h THR 19 CO -0.01 0.07 -0.41 -0.07 0.37 0.00 0.00 175.52 175.47 2ksy h LEU 20 N 0.41 0.69 -1.60 2.58 3.38 -1.17 -0.05 115.31 119.56 2ksy h LEU 20 Ca 0.38 -0.56 0.08 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 20 Cb 0.56 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2ksy h LEU 20 CO -0.39 1.12 0.40 0.00 0.09 0.00 0.00 178.44 179.66 2ksy h ALA 21 N 0.59 1.94 0.01 1.53 0.00 -0.41 0.10 119.26 123.01 2ksy h ALA 21 Ca 0.00 -0.01 -0.31 0.00 0.00 0.00 0.00 54.91 54.59 2ksy h ALA 21 Cb 1.02 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.65 2ksy h ALA 21 CO 0.09 -0.06 -1.79 1.19 0.00 0.00 0.00 179.25 178.68 2ksy n PHE 22 N -4.47 0.95 0.01 0.00 3.72 -0.47 -3.41 117.46 113.79 2ksy n PHE 22 Ca 0.09 0.33 -0.13 0.00 -0.05 0.00 0.00 57.45 57.69 2ksy n PHE 22 Cb 0.32 -1.17 -0.09 0.00 -0.94 0.00 0.00 39.48 37.60 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 0.90 -0.04 -0.55 4.37 0.00 -0.44 0.26 119.26 123.75 2ksy h ALA 23 Ca -0.32 -0.21 -0.06 0.00 0.00 0.00 0.00 54.91 54.33 2ksy h ALA 23 Cb 2.03 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2ksy h ALA 23 CO 0.08 -0.32 0.12 2.35 0.00 0.00 0.00 179.25 181.48 2ksy h TRP 24 N -0.46 0.93 0.00 0.00 2.91 -1.19 -2.09 115.95 116.06 2ksy h TRP 24 Ca -0.00 -0.12 0.00 0.00 1.13 0.00 0.00 58.89 59.90 2ksy h TRP 24 Cb 0.43 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 28.82 2ksy h TRP 24 CO 0.07 0.81 0.00 0.00 -1.03 0.00 0.00 178.44 178.29 2ksy h ALA 25 N 1.01 1.00 -0.02 2.65 0.00 -1.60 -3.27 119.26 119.03 2ksy h ALA 25 Ca 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.04 2ksy h ALA 25 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ksy h ALA 25 CO 0.00 0.00 -0.13 0.78 0.00 0.00 0.00 179.25 179.90 2ksy h GLY 26 N 3.62 0.13 0.65 0.00 0.00 0.01 -3.27 103.07 104.22 2ksy h GLY 26 Ca 0.00 -0.20 0.11 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 26 CO 0.00 0.18 0.59 3.21 0.00 0.00 0.00 176.54 180.51 2ksy h ARG 27 N -0.52 0.85 -4.72 4.80 3.08 -1.45 -3.31 114.38 113.11 2ksy h ARG 27 Ca -0.01 -0.05 -0.71 0.00 0.07 0.00 0.00 59.98 59.27 2ksy h ARG 27 Cb 0.83 -0.19 -0.20 0.00 0.08 0.00 0.00 29.97 30.49 2ksy h ARG 27 CO 0.03 0.56 0.57 0.34 -1.07 0.00 0.00 179.97 180.40 2ksy s ASP 28 N -5.86 6.60 0.00 7.04 2.15 -1.23 -4.93 116.67 120.43 2ksy s ASP 28 Ca -0.11 -2.10 0.00 0.00 0.43 0.00 0.00 52.55 50.77 2ksy s ASP 28 Cb 0.21 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.49 2ksy s ASP 28 CO 0.80 -0.96 0.00 0.00 -0.17 0.00 0.00 175.17 174.83 2ksy n ALA 29 N 5.94 0.00 -1.81 3.66 0.00 -1.25 -4.88 120.51 122.17 2ksy n ALA 29 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2ksy n ALA 29 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 2ksy n ALA 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2ksy n GLY 30 N 0.00 0.50 1.90 0.00 0.00 -1.26 -5.06 105.19 101.28 2ksy n GLY 30 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2ksy n GLY 30 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2ksy n SER 31 N 0.00 -0.04 0.23 1.61 7.64 -1.26 -4.80 113.62 117.00 2ksy n SER 31 Ca 0.00 0.32 0.12 0.00 1.01 0.00 0.00 58.87 60.32 2ksy n SER 31 Cb 0.00 0.24 0.37 0.00 -1.01 0.00 0.00 64.21 63.81 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2ksy h GLY 32 N 0.00 0.00 2.00 0.23 0.00 -2.04 -2.99 103.07 100.26 2ksy h GLY 32 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2ksy h GLY 32 CO 0.00 0.00 -0.06 0.83 0.00 0.00 0.00 176.54 177.31 2ksy h GLU 33 N 0.00 0.00 -0.44 4.80 4.39 -1.99 -3.25 114.58 118.09 2ksy h GLU 33 Ca -0.00 0.00 0.13 0.00 0.34 0.00 0.00 59.36 59.83 2ksy h GLU 33 Cb 0.85 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.48 2ksy h GLU 33 CO 0.02 0.06 0.34 -0.09 -1.16 0.00 0.00 179.01 178.18 2ksy h ARG 34 N 0.00 0.00 -0.62 2.33 2.43 -1.83 -1.71 114.38 114.98 2ksy h ARG 34 Ca -0.00 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.25 2ksy h ARG 34 Cb 1.02 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.50 2ksy h ARG 34 CO 0.01 0.00 0.28 0.00 -1.51 0.00 0.00 179.97 178.75 2ksy h ARG 35 N 0.00 0.49 -0.15 0.20 2.47 -1.76 0.13 114.38 115.76 2ksy h ARG 35 Ca 0.21 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.78 2ksy h ARG 35 Cb 0.88 -0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 29.08 2ksy h ARG 35 CO -0.00 0.32 -0.40 1.88 0.56 0.00 0.00 179.97 182.33 2ksy h TYR 36 N 0.50 0.39 0.11 3.04 0.05 -1.56 -2.47 116.97 117.03 2ksy h TYR 36 Ca 0.30 -0.11 -0.01 0.00 0.05 0.00 0.00 58.73 58.97 2ksy h TYR 36 Cb 0.31 -0.09 0.00 0.00 1.01 0.00 0.00 36.73 37.96 2ksy h TYR 36 CO -0.13 0.69 -0.05 1.88 -1.05 0.00 0.00 178.16 179.49 2ksy h TYR 37 N 0.28 -0.14 -0.75 4.88 0.05 -1.27 -1.49 116.97 118.53 2ksy h TYR 37 Ca 0.03 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.89 2ksy h TYR 37 Cb 0.83 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.57 2ksy h TYR 37 CO 0.02 0.35 0.49 -0.24 -1.05 0.00 0.00 178.16 177.73 2ksy h VAL 38 N -0.79 0.97 -0.15 -2.88 3.04 -0.84 0.65 116.25 116.25 2ksy h VAL 38 Ca -0.02 -0.24 -0.04 0.00 -1.01 0.00 0.00 66.70 65.39 2ksy h VAL 38 Cb 0.56 0.20 -0.00 0.00 -2.01 0.00 0.00 31.29 30.04 2ksy h VAL 38 CO 0.03 0.13 -0.07 0.74 -1.01 0.00 0.00 177.57 177.39 2ksy h THR 39 N 0.71 1.31 -0.44 3.17 2.02 -1.46 -1.75 112.91 116.46 2ksy h THR 39 Ca 0.34 -1.09 -0.00 0.00 0.77 0.00 0.00 66.41 66.42 2ksy h THR 39 Cb 0.38 1.72 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 2ksy h THR 39 CO -0.12 0.32 0.25 0.25 0.37 0.00 0.00 175.52 176.60 2ksy h LEU 40 N -0.01 0.53 -1.32 2.58 5.85 -0.41 -2.15 115.31 120.38 2ksy h LEU 40 Ca 0.03 -0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 2ksy h LEU 40 Cb 0.53 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2ksy h LEU 40 CO 0.02 0.45 0.07 0.58 -0.34 0.00 0.00 178.44 179.22 2ksy h VAL 41 N 0.58 1.17 0.11 1.05 2.07 -0.91 -2.87 116.25 117.44 2ksy h VAL 41 Ca 0.16 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.04 2ksy h VAL 41 Cb 0.02 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2ksy h VAL 41 CO -0.03 0.23 -0.11 1.23 0.02 0.00 0.00 177.57 178.91 2ksy h GLY 42 N 0.77 -0.22 0.96 2.17 0.00 -0.66 -0.08 103.07 106.01 2ksy h GLY 42 Ca 0.12 0.12 -0.00 0.00 0.00 0.00 0.00 47.33 47.57 2ksy h GLY 42 CO -0.00 -0.11 0.05 0.16 0.00 0.00 0.00 176.54 176.64 2ksy h ILE 43 N -0.24 1.05 0.00 2.60 3.07 -1.36 -0.74 117.51 121.89 2ksy h ILE 43 Ca 0.00 -0.14 -0.01 0.00 1.55 0.00 0.00 64.86 66.26 2ksy h ILE 43 Cb 0.23 1.01 -0.00 0.00 -0.27 0.00 0.00 36.82 37.79 2ksy h ILE 43 CO -0.03 0.05 -0.05 -1.28 -1.05 0.00 0.00 178.15 175.79 2ksy h SER 44 N 0.07 0.00 0.03 2.16 0.87 -1.43 -2.57 113.55 112.68 2ksy h SER 44 Ca 0.03 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.52 2ksy h SER 44 Cb 0.04 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.00 2ksy h SER 44 CO -0.01 0.05 -0.31 1.23 -0.53 0.00 0.00 176.83 177.26 2ksy h GLY 45 N 0.22 0.17 0.92 5.77 0.00 -0.31 -2.58 103.07 107.26 2ksy h GLY 45 Ca -0.00 -0.36 0.02 0.00 0.00 0.00 0.00 47.33 46.99 2ksy h GLY 45 CO 0.01 0.32 0.52 -2.22 0.00 0.00 0.00 176.54 175.17 2ksy h ILE 46 N -0.62 1.15 -0.49 2.60 2.04 -0.98 -2.28 117.51 118.93 2ksy h ILE 46 Ca -0.05 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 65.35 2ksy h ILE 46 Cb 1.15 0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.24 2ksy h ILE 46 CO 0.06 0.19 -0.13 0.00 0.00 0.00 0.00 178.15 178.27 2ksy h ALA 47 N 1.32 0.68 -0.69 1.87 0.00 -1.58 -1.85 119.26 119.01 2ksy h ALA 47 Ca 0.31 -0.35 0.09 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 47 Cb -0.04 -0.17 -0.07 0.00 0.00 0.00 0.00 17.79 17.51 2ksy h ALA 47 CO -0.10 0.59 0.34 0.00 0.00 0.00 0.00 179.25 180.08 2ksy h ALA 48 N 0.89 0.95 -0.02 0.00 0.00 -1.00 -0.74 119.26 119.34 2ksy h ALA 48 Ca 0.12 0.06 -0.21 0.00 0.00 0.00 0.00 54.91 54.88 2ksy h ALA 48 Cb 0.69 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.44 2ksy h ALA 48 CO 0.05 -0.07 -0.87 -0.39 0.00 0.00 0.00 179.25 177.97 2ksy h VAL 49 N 0.58 1.42 -0.77 0.00 -1.51 -1.39 -2.68 116.25 111.90 2ksy h VAL 49 Ca 0.34 -2.42 -0.03 0.00 -1.23 0.00 0.00 66.70 63.36 2ksy h VAL 49 Cb 0.36 2.36 -0.04 0.00 -2.13 0.00 0.00 31.29 31.84 2ksy h VAL 49 CO -0.27 0.72 0.37 0.00 -1.23 0.00 0.00 177.57 177.16 2ksy h ALA 50 N 0.86 1.20 -0.15 5.19 0.00 -0.53 -0.35 119.26 125.48 2ksy h ALA 50 Ca -0.06 -0.15 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2ksy h ALA 50 Cb 1.49 -0.31 0.01 0.00 0.00 0.00 0.00 17.79 18.98 2ksy h ALA 50 CO 0.14 0.61 -0.52 1.88 0.00 0.00 0.00 179.25 181.36 2ksy h TYR 51 N 1.10 0.81 -0.84 0.00 0.05 -1.18 -1.92 116.97 114.98 2ksy h TYR 51 Ca 0.27 -0.33 -0.03 0.00 0.05 0.00 0.00 58.73 58.68 2ksy h TYR 51 Cb 0.11 -0.13 -0.04 0.00 1.01 0.00 0.00 36.73 37.67 2ksy h TYR 51 CO 0.01 1.12 0.39 0.00 -1.05 0.00 0.00 178.16 178.63 2ksy h ALA 52 N 0.53 1.11 -0.03 3.88 0.00 -1.23 0.08 119.26 123.60 2ksy h ALA 52 Ca -0.02 -0.17 -0.03 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 52 Cb 1.15 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.61 2ksy h ALA 52 CO 0.11 0.66 -0.08 -0.39 0.00 0.00 0.00 179.25 179.55 2ksy h VAL 53 N 1.20 1.46 -0.11 0.00 -1.51 -1.09 -3.11 116.25 113.09 2ksy h VAL 53 Ca 0.29 -1.49 -0.02 0.00 -1.23 0.00 0.00 66.70 64.24 2ksy h VAL 53 Cb 0.13 2.38 -0.01 0.00 -2.13 0.00 0.00 31.29 31.67 2ksy h VAL 53 CO -0.03 0.40 -0.02 0.24 -1.23 0.00 0.00 177.57 176.93 2ksy h MET 54 N -0.45 0.16 0.00 5.19 2.07 -1.29 -0.37 114.93 120.24 2ksy h MET 54 Ca -0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 2ksy h MET 54 Cb 0.70 -0.03 0.00 0.00 -1.87 0.00 0.00 31.60 30.40 2ksy h MET 54 CO 0.02 0.20 0.00 0.00 1.07 0.00 0.00 176.91 178.20 2ksy n ALA 55 N -2.51 1.69 0.69 6.32 0.00 0.01 -2.23 120.51 124.48 2ksy n ALA 55 Ca -0.01 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.55 2ksy n ALA 55 Cb 0.16 -1.32 -0.07 0.00 0.00 0.00 0.00 19.45 18.22 2ksy n ALA 55 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2ksy n LEU 56 N -1.90 0.67 0.00 0.00 4.77 -0.16 -4.77 117.00 115.61 2ksy n LEU 56 Ca 0.03 -0.24 0.00 0.00 -0.03 0.00 0.00 56.01 55.77 2ksy n LEU 56 Cb 0.21 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2ksy n LEU 56 CO 0.17 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.98 2ksy n GLY 57 N 1.42 0.47 3.83 -0.72 0.00 -0.95 -5.09 105.19 104.15 2ksy n GLY 57 Ca 0.02 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 2ksy n GLY 57 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 58 N -2.00 4.46 0.00 1.61 -7.23 -1.19 -3.91 120.40 112.15 2ksy s VAL 58 Ca 0.00 1.36 0.00 0.00 -1.81 0.00 0.00 61.98 61.53 2ksy s VAL 58 Cb 0.00 -3.62 0.00 0.00 0.56 0.00 0.00 36.38 33.32 2ksy s VAL 58 CO 0.00 -0.27 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 2ksy n GLY 59 N -0.53 0.48 3.25 2.32 0.00 -1.26 -4.14 105.19 105.31 2ksy n GLY 59 Ca 0.06 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.00 3.50 -0.20 1.61 0.52 -1.25 -1.26 118.94 119.86 2ksy s TRP 60 Ca 0.00 -1.95 -0.19 0.00 0.02 0.00 0.00 56.10 53.98 2ksy s TRP 60 Cb 0.00 -3.61 -0.03 0.00 -1.15 0.00 0.00 33.47 28.68 2ksy s TRP 60 CO 0.00 -0.97 0.54 0.08 0.02 0.00 0.00 176.95 176.62 2ksy s VAL 61 N 0.76 5.09 0.22 4.03 1.01 0.74 -4.93 120.40 127.33 2ksy s VAL 61 Ca 0.11 0.99 -0.30 0.00 0.00 0.00 0.00 61.98 62.79 2ksy s VAL 61 Cb -0.21 -3.86 -0.09 0.00 0.00 0.00 0.00 36.38 32.23 2ksy s VAL 61 CO -0.03 0.17 1.21 -2.16 0.00 0.00 0.00 175.10 174.29 2ksy s PRO 62 N 1.66 4.49 -0.24 2.72 0.04 -1.26 -0.26 135.00 142.14 2ksy s PRO 62 Ca 0.25 1.93 -0.03 0.00 0.04 0.00 0.00 61.00 63.19 2ksy s PRO 62 Cb -0.15 -3.20 0.10 0.00 0.04 0.00 0.00 34.50 31.28 2ksy s PRO 62 CO 0.10 -0.07 0.18 0.08 0.04 0.00 0.00 177.00 177.33 2ksy s VAL 63 N -0.35 -0.22 0.00 -0.36 1.01 0.70 -4.87 120.40 116.31 2ksy s VAL 63 Ca 0.51 -0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.12 2ksy s VAL 63 Cb -0.34 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.24 2ksy s VAL 63 CO 0.40 -0.42 0.00 0.00 0.00 0.00 0.00 175.10 175.08 2ksy n ALA 64 N 5.29 0.00 0.00 5.51 0.00 -1.26 -0.90 120.51 129.15 2ksy n ALA 64 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.39 2ksy n ALA 64 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 2.32 -3.79 0.00 2.13 -1.26 -5.06 120.64 114.99 2ksy n GLU 65 Ca 0.00 0.00 -0.20 0.00 0.66 0.00 0.00 57.16 57.62 2ksy n GLU 65 Cb 0.00 -0.93 -0.02 0.00 0.27 0.00 0.00 31.44 30.76 2ksy n GLU 65 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2ksy s ARG 66 N -1.80 3.15 -0.19 5.31 3.52 -0.07 -5.11 118.95 123.76 2ksy s ARG 66 Ca 0.00 -0.97 -0.00 0.00 -0.13 0.00 0.00 55.73 54.63 2ksy s ARG 66 Cb 0.00 -2.76 0.01 0.00 -1.56 0.00 0.00 34.95 30.64 2ksy s ARG 66 CO 0.00 0.24 -0.16 0.99 -0.81 0.00 0.00 175.30 175.57 2ksy s THR 67 N -2.12 2.46 0.25 4.11 2.01 -1.26 -0.21 115.64 120.87 2ksy s THR 67 Ca 0.39 -0.81 -0.18 0.00 0.31 0.00 0.00 61.69 61.40 2ksy s THR 67 Cb -0.09 -2.06 -0.08 0.00 0.01 0.00 0.00 72.50 70.28 2ksy s THR 67 CO 0.29 0.51 0.72 -0.69 -0.69 0.00 0.00 174.62 174.75 2ksy s VAL 68 N 1.27 4.63 -0.33 3.82 1.01 0.64 -4.85 120.40 126.60 2ksy s VAL 68 Ca 0.04 1.14 -0.08 0.00 0.00 0.00 0.00 61.98 63.07 2ksy s VAL 68 Cb -0.14 -3.77 0.02 0.00 0.00 0.00 0.00 36.38 32.49 2ksy s VAL 68 CO -0.09 0.08 0.13 -0.36 0.00 0.00 0.00 175.10 174.86 2ksy s PHE 69 N -1.67 3.20 0.27 5.22 0.08 -1.26 -0.19 117.98 123.63 2ksy s PHE 69 Ca 0.46 -0.97 0.03 0.00 0.12 0.00 0.00 56.93 56.58 2ksy s PHE 69 Cb -0.14 -2.32 0.38 0.00 -0.57 0.00 0.00 43.02 40.36 2ksy s PHE 69 CO 0.20 -0.60 1.68 -0.24 -0.10 0.00 0.00 175.22 176.16 2ksy h VAL 70 N 5.88 1.29 -0.20 -0.44 3.04 -1.54 -3.14 116.25 121.14 2ksy h VAL 70 Ca -0.29 -1.46 -0.04 0.00 -1.01 0.00 0.00 66.70 63.90 2ksy h VAL 70 Cb 1.12 1.56 -0.01 0.00 -2.01 0.00 0.00 31.29 31.94 2ksy h VAL 70 CO 0.62 0.45 -0.07 -0.65 -1.01 0.00 0.00 177.57 176.92 2ksy h PRO 71 N 0.33 0.31 0.03 4.17 0.11 -1.89 0.68 132.00 135.74 2ksy h PRO 71 Ca 0.04 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.08 2ksy h PRO 71 Cb 0.80 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.86 2ksy h PRO 71 CO 0.06 0.40 -0.01 -0.09 -0.21 0.00 0.00 178.00 178.15 2ksy h ARG 72 N 0.30 -0.04 -0.20 1.05 2.43 -1.86 0.71 114.38 116.77 2ksy h ARG 72 Ca 0.07 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.17 2ksy h ARG 72 Cb 0.31 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.86 2ksy h ARG 72 CO 0.01 0.44 -0.20 1.88 -1.51 0.00 0.00 179.97 180.60 2ksy h TYR 73 N -0.53 0.37 -0.01 2.20 0.05 -1.49 -2.37 116.97 115.19 2ksy h TYR 73 Ca -0.00 -0.06 -0.25 0.00 0.05 0.00 0.00 58.73 58.46 2ksy h TYR 73 Cb 0.49 -0.10 0.02 0.00 1.01 0.00 0.00 36.73 38.15 2ksy h TYR 73 CO 0.09 0.52 -1.00 0.97 -1.05 0.00 0.00 178.16 177.70 2ksy h ILE 74 N 0.31 1.31 -0.38 -2.88 -0.00 -0.87 -2.67 117.51 112.34 2ksy h ILE 74 Ca 0.05 -2.29 0.04 0.00 -0.00 0.00 0.00 64.86 62.67 2ksy h ILE 74 Cb 0.53 2.37 -0.02 0.00 -0.00 0.00 0.00 36.82 39.69 2ksy h ILE 74 CO 0.04 0.70 0.26 -0.78 -0.00 0.00 0.00 178.15 178.36 2ksy h ASP 75 N 0.36 0.31 -0.06 2.19 3.58 -0.56 -1.86 116.42 120.37 2ksy h ASP 75 Ca -0.11 -0.00 -0.08 0.00 0.42 0.00 0.00 57.03 57.25 2ksy h ASP 75 Cb 1.65 -0.07 0.00 0.00 1.72 0.00 0.00 39.33 42.63 2ksy h ASP 75 CO 0.19 0.21 -0.29 -0.50 -2.88 0.00 0.00 179.24 175.97 2ksy h TRP 76 N 0.35 0.41 -0.64 0.28 6.55 -1.37 -0.86 115.95 120.67 2ksy h TRP 76 Ca 0.16 -0.18 0.19 0.00 0.95 0.00 0.00 58.89 60.01 2ksy h TRP 76 Cb 0.20 -0.06 -0.03 0.00 -0.86 0.00 0.00 29.16 28.41 2ksy h TRP 76 CO -0.00 0.91 0.47 0.82 -1.05 0.00 0.00 178.44 179.58 2ksy h ILE 77 N -0.20 0.67 0.00 1.49 2.04 -0.99 0.17 117.51 120.69 2ksy h ILE 77 Ca -0.02 0.00 -0.21 0.00 1.00 0.00 0.00 64.86 65.63 2ksy h ILE 77 Cb 0.94 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2ksy h ILE 77 CO 0.06 0.00 -1.24 0.18 0.00 0.00 0.00 178.15 177.15 2ksy n LEU 78 N -4.33 1.86 -0.01 1.44 4.77 -0.92 -4.43 117.00 115.38 2ksy n LEU 78 Ca 0.12 0.45 -0.13 0.00 -0.03 0.00 0.00 56.01 56.43 2ksy n LEU 78 Cb 0.72 -0.93 -0.10 0.00 -2.33 0.00 0.00 43.42 40.78 2ksy n LEU 78 CO 0.37 0.16 0.58 0.71 -1.33 0.00 0.00 177.39 177.88 2ksy h THR 79 N -1.00 1.41 -0.57 -5.08 1.35 -0.94 -3.26 112.91 104.82 2ksy h THR 79 Ca -0.31 -1.32 0.11 0.00 -0.55 0.00 0.00 66.41 64.33 2ksy h THR 79 Cb 1.18 2.29 -0.11 0.00 -1.73 0.00 0.00 68.15 69.78 2ksy h THR 79 CO -0.19 0.34 -0.30 0.74 -0.25 0.00 0.00 175.52 175.86 2ksy h THR 80 N -0.60 0.22 0.00 6.82 2.02 -0.85 0.37 112.91 120.89 2ksy h THR 80 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 67.17 2ksy h THR 80 Cb 0.57 0.22 -0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2ksy h THR 80 CO 0.00 0.00 -0.04 1.55 0.37 0.00 0.00 175.52 177.40 2ksy h PRO 81 N -0.15 0.00 0.01 6.66 0.13 -1.72 -1.00 132.00 135.93 2ksy h PRO 81 Ca 0.24 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 65.17 2ksy h PRO 81 Cb 0.53 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.65 2ksy h PRO 81 CO -0.65 0.04 -0.91 1.25 -0.23 0.00 0.00 178.00 177.50 2ksy h LEU 82 N 0.00 0.24 0.28 1.56 5.85 -0.38 -2.03 115.31 120.82 2ksy h LEU 82 Ca -0.00 -0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.51 2ksy h LEU 82 Cb 0.13 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.09 2ksy h LEU 82 CO 0.01 1.02 -0.13 0.40 -0.34 0.00 0.00 178.44 179.40 2ksy h ILE 83 N 0.09 0.77 -0.03 4.05 1.08 0.28 0.21 117.51 123.96 2ksy h ILE 83 Ca -0.05 -0.44 -0.01 0.00 -0.39 0.00 0.00 64.86 63.97 2ksy h ILE 83 Cb 1.55 1.01 -0.00 0.00 -3.07 0.00 0.00 36.82 36.31 2ksy h ILE 83 CO 0.14 0.09 -0.05 -0.37 -0.69 0.00 0.00 178.15 177.27 2ksy h VAL 84 N -0.61 1.05 -0.15 1.67 -1.51 -1.57 0.67 116.25 115.81 2ksy h VAL 84 Ca -0.04 -0.24 -0.08 0.00 -1.23 0.00 0.00 66.70 65.12 2ksy h VAL 84 Cb 0.44 1.08 -0.01 0.00 -2.13 0.00 0.00 31.29 30.67 2ksy h VAL 84 CO 0.06 0.07 -0.27 0.22 -1.23 0.00 0.00 177.57 176.42 2ksy h TYR 85 N 0.04 0.31 0.18 5.19 3.20 -0.98 -1.64 116.97 123.28 2ksy h TYR 85 Ca 0.01 -0.06 -0.01 0.00 3.14 0.00 0.00 58.73 61.81 2ksy h TYR 85 Cb 0.11 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.30 2ksy h TYR 85 CO 0.00 0.53 -0.09 0.35 -1.64 0.00 0.00 178.16 177.31 2ksy h PHE 86 N 0.25 -0.22 -0.16 -3.82 3.04 0.12 -1.63 116.94 114.52 2ksy h PHE 86 Ca 0.04 -0.01 -0.03 0.00 3.98 0.00 0.00 57.97 61.96 2ksy h PHE 86 Cb 0.61 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.19 2ksy h PHE 86 CO 0.01 -0.09 -0.02 -0.07 -2.02 0.00 0.00 178.31 176.12 2ksy h LEU 87 N -0.31 0.20 -1.51 0.59 4.07 -1.33 -1.17 115.31 115.86 2ksy h LEU 87 Ca -0.02 -0.02 -0.05 0.00 0.08 0.00 0.00 57.88 57.86 2ksy h LEU 87 Cb 0.24 -0.05 -0.01 0.00 1.08 0.00 0.00 40.66 41.92 2ksy h LEU 87 CO 0.04 0.27 -0.25 1.23 -1.08 0.00 0.00 178.44 178.65 2ksy h GLY 88 N 0.51 0.00 1.29 0.83 0.00 -0.76 -2.66 103.07 102.29 2ksy h GLY 88 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.13 2ksy h GLY 88 CO 0.01 0.00 -0.97 1.41 0.00 0.00 0.00 176.54 176.99 2ksy h LEU 89 N 0.00 0.82 -0.67 3.11 3.38 -0.28 0.92 115.31 122.59 2ksy h LEU 89 Ca -0.00 -0.64 0.01 0.00 0.09 0.00 0.00 57.88 57.34 2ksy h LEU 89 Cb 0.51 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 2ksy h LEU 89 CO 0.03 1.43 0.45 -0.07 0.09 0.00 0.00 178.44 180.37 2ksy h LEU 90 N 0.38 0.77 0.00 1.67 3.38 -1.14 -3.25 115.31 117.12 2ksy h LEU 90 Ca -0.10 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.80 2ksy h LEU 90 Cb 1.61 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 42.16 2ksy h LEU 90 CO 0.19 0.56 -0.31 0.00 0.09 0.00 0.00 178.44 178.97 2ksy h ALA 91 N 1.25 0.06 0.00 1.53 0.00 -1.55 -3.44 119.26 117.10 2ksy h ALA 91 Ca 0.25 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2ksy h ALA 91 Cb -0.10 0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.88 2ksy h ALA 91 CO -0.05 0.18 0.00 0.41 0.00 0.00 0.00 179.25 179.79 2ksy n GLY 92 N 1.60 0.83 3.84 0.00 0.00 0.31 -4.35 105.19 107.42 2ksy n GLY 92 Ca -0.13 -0.76 -0.30 0.00 0.00 0.00 0.00 46.02 44.84 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 2.18 0.57 0.99 1.02 -1.16 -5.04 118.68 117.23 2ksy s LEU 93 Ca 0.00 0.38 -0.03 0.00 0.02 0.00 0.00 54.13 54.50 2ksy s LEU 93 Cb 0.00 -2.36 0.02 0.00 0.02 0.00 0.00 46.19 43.88 2ksy s LEU 93 CO 0.00 -3.08 0.83 -0.62 0.02 0.00 0.00 176.35 173.51 2ksy s ASP 94 N -4.62 5.43 0.30 2.29 2.15 -1.26 -4.89 116.67 116.07 2ksy s ASP 94 Ca 0.73 0.37 0.02 0.00 0.43 0.00 0.00 52.55 54.10 2ksy s ASP 94 Cb -0.06 -1.34 0.59 0.00 -0.30 0.00 0.00 42.92 41.81 2ksy s ASP 94 CO 0.54 -1.09 1.87 0.28 -0.17 0.00 0.00 175.17 176.60 2ksy h SER 95 N -0.04 0.88 -0.09 -0.34 0.02 -2.00 -1.15 113.55 110.82 2ksy h SER 95 Ca -0.45 0.03 -0.13 0.00 -0.84 0.00 0.00 61.79 60.41 2ksy h SER 95 Cb 1.28 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 63.67 2ksy h SER 95 CO 0.58 0.51 -0.45 0.03 -1.14 0.00 0.00 176.83 176.35 2ksy h ARG 96 N 0.96 0.46 -0.38 3.45 2.47 -1.99 -2.98 114.38 116.36 2ksy h ARG 96 Ca 0.45 -0.38 0.06 0.00 -1.26 0.00 0.00 59.98 58.85 2ksy h ARG 96 Cb 0.41 0.08 -0.05 0.00 -1.65 0.00 0.00 29.97 28.76 2ksy h ARG 96 CO -0.21 1.01 0.08 0.93 0.56 0.00 0.00 179.97 182.35 2ksy h GLU 97 N 0.02 0.21 -0.35 0.04 4.39 -1.79 -1.78 114.58 115.32 2ksy h GLU 97 Ca -0.03 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.70 2ksy h GLU 97 Cb 1.10 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.66 2ksy h GLU 97 CO 0.09 0.14 0.13 0.74 -1.16 0.00 0.00 179.01 178.95 2ksy h PHE 98 N 0.21 0.23 -0.27 4.33 0.04 -1.30 -1.19 116.94 118.99 2ksy h PHE 98 Ca 0.18 0.02 0.08 0.00 2.80 0.00 0.00 57.97 61.05 2ksy h PHE 98 Cb 0.21 -0.05 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2ksy h PHE 98 CO -0.19 0.10 0.20 0.78 -0.60 0.00 0.00 178.31 178.59 2ksy h GLY 99 N 0.28 0.00 0.81 -1.45 0.00 -1.23 -0.91 103.07 100.57 2ksy h GLY 99 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 99 CO -0.16 0.00 -0.48 -2.22 0.00 0.00 0.00 176.54 173.68 2ksy h ILE 100 N 0.00 1.40 -0.19 2.60 2.04 -0.41 -2.68 117.51 120.26 2ksy h ILE 100 Ca 0.13 -1.86 -0.04 0.00 1.00 0.00 0.00 64.86 64.08 2ksy h ILE 100 Cb 0.52 2.33 -0.01 0.00 -0.74 0.00 0.00 36.82 38.92 2ksy h ILE 100 CO -0.00 0.55 -0.05 0.58 0.00 0.00 0.00 178.15 179.23 2ksy h VAL 101 N -0.00 1.29 0.23 1.67 2.07 -0.73 -2.44 116.25 118.33 2ksy h VAL 101 Ca -0.04 -1.03 -0.01 0.00 0.82 0.00 0.00 66.70 66.44 2ksy h VAL 101 Cb 1.14 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.49 2ksy h VAL 101 CO 0.10 0.31 -0.11 0.40 0.02 0.00 0.00 177.57 178.29 2ksy h ILE 102 N 0.09 0.82 -0.71 4.57 1.08 -1.30 -2.52 117.51 119.54 2ksy h ILE 102 Ca 0.05 -0.22 0.07 0.00 -0.39 0.00 0.00 64.86 64.37 2ksy h ILE 102 Cb 0.49 0.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.15 2ksy h ILE 102 CO 0.02 0.05 0.47 0.00 -0.69 0.00 0.00 178.15 178.00 2ksy h THR 103 N -0.41 1.00 -0.34 -0.27 1.03 -1.54 -1.79 112.91 110.58 2ksy h THR 103 Ca -0.03 -0.24 -0.00 0.00 -0.01 0.00 0.00 66.41 66.12 2ksy h THR 103 Cb 0.32 0.23 -0.02 0.00 -1.07 0.00 0.00 68.15 67.61 2ksy h THR 103 CO 0.05 0.13 0.20 0.25 -0.01 0.00 0.00 175.52 176.14 2ksy h LEU 104 N 0.70 0.41 -1.74 0.00 5.85 -1.20 -1.95 115.31 117.38 2ksy h LEU 104 Ca 0.31 -0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.94 2ksy h LEU 104 Cb 0.31 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.23 2ksy h LEU 104 CO -0.10 0.35 -0.17 0.78 -0.34 0.00 0.00 178.44 178.96 2ksy h ASN 105 N 0.43 0.00 0.40 1.25 -0.26 -0.92 -2.57 115.58 113.91 2ksy h ASN 105 Ca 0.12 0.00 -0.02 0.00 -0.56 0.00 0.00 56.30 55.84 2ksy h ASN 105 Cb 0.02 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.28 2ksy h ASN 105 CO -0.02 0.17 -0.19 0.74 -1.06 0.00 0.00 177.43 177.06 2ksy h THR 106 N 0.00 0.57 -0.65 2.81 2.02 -0.68 -1.85 112.91 115.13 2ksy h THR 106 Ca -0.00 -0.44 -0.02 0.00 0.77 0.00 0.00 66.41 66.71 2ksy h THR 106 Cb 0.40 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.55 2ksy h THR 106 CO 0.02 0.08 0.32 1.62 0.37 0.00 0.00 175.52 177.93 2ksy h VAL 107 N -0.81 1.21 -0.01 3.16 3.04 -1.40 -1.39 116.25 120.06 2ksy h VAL 107 Ca -0.05 -0.58 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 2ksy h VAL 107 Cb 0.54 0.37 -0.00 0.00 -2.01 0.00 0.00 31.29 30.18 2ksy h VAL 107 CO 0.09 0.25 -0.01 0.58 -1.01 0.00 0.00 177.57 177.46 2ksy h VAL 108 N 0.92 0.97 -0.05 1.51 2.07 -1.43 -0.73 116.25 119.51 2ksy h VAL 108 Ca 0.23 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.71 2ksy h VAL 108 Cb 0.09 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 2ksy h VAL 108 CO -0.03 0.00 -0.14 -0.03 0.02 0.00 0.00 177.57 177.39 2ksy h MET 109 N -0.02 0.08 -0.12 1.57 4.05 -1.04 -1.42 114.93 118.03 2ksy h MET 109 Ca 0.01 -0.02 -0.10 0.00 -0.28 0.00 0.00 59.70 59.31 2ksy h MET 109 Cb 0.03 -0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 30.80 2ksy h MET 109 CO -0.02 0.23 -0.38 1.25 0.23 0.00 0.00 176.91 178.22 2ksy h LEU 110 N 0.08 0.28 0.56 3.39 5.85 -0.53 -2.07 115.31 122.86 2ksy h LEU 110 Ca 0.02 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.60 2ksy h LEU 110 Cb 0.30 -0.08 0.01 0.00 0.37 0.00 0.00 40.66 41.26 2ksy h LEU 110 CO 0.02 0.64 -0.27 0.00 -0.34 0.00 0.00 178.44 178.49 2ksy h ALA 111 N 1.38 -0.76 -0.76 1.25 0.00 -0.04 -2.81 119.26 117.52 2ksy h ALA 111 Ca 0.02 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.81 2ksy h ALA 111 Cb 0.78 0.29 -0.06 0.00 0.00 0.00 0.00 17.79 18.81 2ksy h ALA 111 CO 0.06 -0.84 0.44 0.78 0.00 0.00 0.00 179.25 179.69 2ksy h GLY 112 N -0.93 1.14 -0.08 0.00 0.00 -1.48 -0.02 103.07 101.69 2ksy h GLY 112 Ca -0.08 -0.31 0.01 0.00 0.00 0.00 0.00 47.33 46.96 2ksy h GLY 112 CO 0.13 0.19 -0.17 -2.75 0.00 0.00 0.00 176.54 173.93 2ksy h PHE 113 N 0.80 -0.53 -0.03 5.60 3.04 -1.31 -1.70 116.94 122.81 2ksy h PHE 113 Ca 0.34 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 62.28 2ksy h PHE 113 Cb 0.21 0.24 -0.01 0.00 2.56 0.00 0.00 35.95 38.96 2ksy h PHE 113 CO -0.06 -0.17 -0.15 0.00 -2.02 0.00 0.00 178.31 175.92 2ksy h ALA 114 N -0.99 1.71 -0.82 2.41 0.00 -1.39 -2.93 119.26 117.25 2ksy h ALA 114 Ca 0.02 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 114 Cb 0.20 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.86 2ksy h ALA 114 CO -0.16 0.22 0.40 0.78 0.00 0.00 0.00 179.25 180.49 2ksy h GLY 115 N 0.51 1.32 2.00 0.00 0.00 -0.07 -0.54 103.07 106.29 2ksy h GLY 115 Ca 0.01 -0.23 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2ksy h GLY 115 CO 0.02 -0.05 -0.72 0.00 0.00 0.00 0.00 176.54 175.79 2ksy h ALA 116 N 1.55 0.60 -0.46 3.60 0.00 -1.27 -3.23 119.26 120.05 2ksy h ALA 116 Ca 0.45 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 116 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ksy h ALA 116 CO -0.37 0.90 0.00 -1.33 0.00 0.00 0.00 179.25 178.45 2ksy n MET 117 N -3.38 4.00 -1.99 0.00 2.00 -0.44 -4.88 117.12 112.42 2ksy n MET 117 Ca 0.01 -2.47 -0.36 0.00 0.00 0.00 0.00 57.70 54.87 2ksy n MET 117 Cb 0.78 -2.07 0.03 0.00 0.00 0.00 0.00 33.22 31.96 2ksy n MET 117 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2ksy s VAL 118 N -2.33 2.57 -0.48 2.03 -7.23 -0.34 -4.94 120.40 109.68 2ksy s VAL 118 Ca 0.43 0.36 0.24 0.00 -1.81 0.00 0.00 61.98 61.20 2ksy s VAL 118 Cb 0.32 -3.15 0.16 0.00 0.56 0.00 0.00 36.38 34.27 2ksy s VAL 118 CO 0.13 -0.07 1.41 1.55 -0.31 0.00 0.00 175.10 177.81 2ksy h PRO 119 N 0.97 0.00 0.00 4.82 0.13 -1.93 -3.47 132.00 132.52 2ksy h PRO 119 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ksy h PRO 119 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2ksy h PRO 119 CO 0.55 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.73 2ksy n GLY 120 N 1.22 4.01 1.18 1.56 0.00 -1.26 -5.01 105.19 106.89 2ksy n GLY 120 Ca 0.03 -0.40 0.10 0.00 0.00 0.00 0.00 46.02 45.75 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 0.95 0.26 -0.61 -5.35 -1.26 -4.33 119.36 109.02 2ksy n ILE 121 Ca 0.00 -0.85 0.17 0.00 -0.27 0.00 0.00 62.75 61.80 2ksy n ILE 121 Cb 0.00 0.35 0.93 0.00 -1.74 0.00 0.00 39.64 39.18 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 3.57 0.00 -1.02 6.28 5.08 -1.94 -2.59 114.58 123.96 2ksy h GLU 122 Ca 0.00 0.00 0.26 0.00 -1.00 0.00 0.00 59.36 58.62 2ksy h GLU 122 Cb 0.90 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.07 2ksy h GLU 122 CO 0.04 0.00 0.67 0.07 -1.00 0.00 0.00 179.01 178.79 2ksy h ARG 123 N 0.00 0.32 -0.08 2.33 0.11 -1.75 0.39 114.38 115.70 2ksy h ARG 123 Ca 0.00 -0.02 -0.13 0.00 0.10 0.00 0.00 59.98 59.93 2ksy h ARG 123 Cb 0.04 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.03 2ksy h ARG 123 CO 0.00 0.21 -0.54 1.88 0.10 0.00 0.00 179.97 181.62 2ksy h TYR 124 N 0.33 0.27 0.12 4.08 0.05 -1.80 -2.79 116.97 117.22 2ksy h TYR 124 Ca 0.55 -0.09 -0.01 0.00 0.05 0.00 0.00 58.73 59.23 2ksy h TYR 124 Cb 1.53 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 39.22 2ksy h TYR 124 CO -0.00 0.71 -0.06 0.00 -1.05 0.00 0.00 178.16 177.76 2ksy h ALA 125 N 1.27 -0.16 0.11 3.88 0.00 -0.44 0.28 119.26 124.20 2ksy h ALA 125 Ca 0.00 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.73 2ksy h ALA 125 Cb 1.01 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2ksy h ALA 125 CO 0.08 -0.39 -0.35 -0.07 0.00 0.00 0.00 179.25 178.52 2ksy h LEU 126 N -0.58 -1.03 -1.29 0.00 -0.00 -1.40 -1.53 115.31 109.49 2ksy h LEU 126 Ca -0.02 0.12 -0.07 0.00 -0.00 0.00 0.00 57.88 57.91 2ksy h LEU 126 Cb 0.45 0.39 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 2ksy h LEU 126 CO 0.03 -0.43 -0.35 0.15 -0.00 0.00 0.00 178.44 177.83 2ksy h PHE 127 N -0.57 0.00 -0.48 1.13 3.57 -1.57 -2.32 116.94 116.69 2ksy h PHE 127 Ca 0.03 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.62 2ksy h PHE 127 Cb 0.61 0.00 -0.10 0.00 2.79 0.00 0.00 35.95 39.25 2ksy h PHE 127 CO -0.32 0.35 -0.34 0.78 -2.23 0.00 0.00 178.31 176.56 2ksy h GLY 128 N 1.12 -0.22 2.00 2.40 0.00 0.63 0.56 103.07 109.57 2ksy h GLY 128 Ca -0.00 0.43 -0.10 0.00 0.00 0.00 0.00 47.33 47.66 2ksy h GLY 128 CO 0.05 -0.20 -0.46 0.00 0.00 0.00 0.00 176.54 175.92 2ksy h MET 129 N -0.22 0.00 -0.67 4.80 -0.00 -1.39 -2.90 114.93 114.55 2ksy h MET 129 Ca 0.19 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.87 2ksy h MET 129 Cb 0.55 0.00 -0.03 0.00 -0.00 0.00 0.00 31.60 32.11 2ksy h MET 129 CO -0.60 0.46 0.34 0.78 -0.00 0.00 0.00 176.91 177.89 2ksy h GLY 130 N 1.98 1.01 0.26 -3.00 0.00 0.37 0.23 103.07 103.91 2ksy h GLY 130 Ca -0.00 -0.46 -0.00 0.00 0.00 0.00 0.00 47.33 46.86 2ksy h GLY 130 CO 0.06 0.44 -0.03 0.00 0.00 0.00 0.00 176.54 177.02 2ksy h ALA 131 N 1.43 -0.08 -0.46 3.60 0.00 -0.00 0.87 119.26 124.62 2ksy h ALA 131 Ca 0.24 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.91 2ksy h ALA 131 Cb 0.07 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 17.83 2ksy h ALA 131 CO -0.03 -0.18 0.12 0.28 0.00 0.00 0.00 179.25 179.44 2ksy h VAL 132 N -0.82 0.80 -0.47 0.00 2.07 -1.44 -1.08 116.25 115.30 2ksy h VAL 132 Ca -0.01 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.34 2ksy h VAL 132 Cb 0.63 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 2ksy h VAL 132 CO 0.01 0.05 -0.02 0.00 0.02 0.00 0.00 177.57 177.63 2ksy h ALA 133 N 1.33 1.08 -0.06 1.67 0.00 -0.62 -2.63 119.26 120.02 2ksy h ALA 133 Ca 0.22 -0.27 0.04 0.00 0.00 0.00 0.00 54.91 54.90 2ksy h ALA 133 Cb 0.26 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2ksy h ALA 133 CO -0.26 0.58 -0.26 0.35 0.00 0.00 0.00 179.25 179.66 2ksy h PHE 134 N 0.73 -0.70 -0.31 0.00 3.57 0.43 0.10 116.94 120.76 2ksy h PHE 134 Ca 0.14 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.68 2ksy h PHE 134 Cb 0.48 0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.52 2ksy h PHE 134 CO 0.03 -0.35 0.21 0.82 -2.23 0.00 0.00 178.31 176.79 2ksy h ILE 135 N -0.37 1.06 -1.00 1.41 2.04 -1.26 -1.06 117.51 118.33 2ksy h ILE 135 Ca 0.08 -0.13 0.03 0.00 1.00 0.00 0.00 64.86 65.84 2ksy h ILE 135 Cb 0.48 0.64 -0.06 0.00 -0.74 0.00 0.00 36.82 37.14 2ksy h ILE 135 CO -0.27 0.07 0.66 1.23 0.00 0.00 0.00 178.15 179.84 2ksy h GLY 136 N 0.38 1.46 0.52 5.37 0.00 -0.64 0.65 103.07 110.82 2ksy h GLY 136 Ca 0.12 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 2ksy h GLY 136 CO -0.03 0.45 -0.09 -2.00 0.00 0.00 0.00 176.54 174.87 2ksy h LEU 137 N 1.29 -0.20 -1.86 3.11 5.85 -0.33 -2.77 115.31 120.40 2ksy h LEU 137 Ca 0.39 -0.31 0.15 0.00 0.84 0.00 0.00 57.88 58.95 2ksy h LEU 137 Cb -0.03 0.05 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 2ksy h LEU 137 CO -0.12 0.25 0.42 -0.37 -0.34 0.00 0.00 178.44 178.28 2ksy h VAL 138 N -0.72 0.76 -0.36 1.05 -1.51 -1.23 0.28 116.25 114.52 2ksy h VAL 138 Ca -0.02 -0.05 0.00 0.00 -1.23 0.00 0.00 66.70 65.40 2ksy h VAL 138 Cb 0.50 0.61 -0.02 0.00 -2.13 0.00 0.00 31.29 30.25 2ksy h VAL 138 CO 0.04 0.03 0.24 0.22 -1.23 0.00 0.00 177.57 176.86 2ksy h TYR 139 N 0.14 0.46 -0.59 5.19 3.20 -0.72 -1.97 116.97 122.68 2ksy h TYR 139 Ca 0.29 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 62.12 2ksy h TYR 139 Cb 0.94 -0.16 -0.03 0.00 1.54 0.00 0.00 36.73 39.03 2ksy h TYR 139 CO -0.00 0.30 0.19 1.88 -1.64 0.00 0.00 178.16 178.90 2ksy h TYR 140 N 0.49 0.93 -0.22 -3.82 0.05 -0.22 0.40 116.97 114.59 2ksy h TYR 140 Ca 0.13 -0.09 0.06 0.00 0.05 0.00 0.00 58.73 58.89 2ksy h TYR 140 Cb -0.04 -0.27 -0.01 0.00 1.01 0.00 0.00 36.73 37.41 2ksy h TYR 140 CO -0.05 0.77 0.19 -0.07 -1.05 0.00 0.00 178.16 177.96 2ksy h LEU 141 N 0.83 0.00 -0.34 3.88 4.07 -0.75 -0.38 115.31 122.62 2ksy h LEU 141 Ca 0.19 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.15 2ksy h LEU 141 Cb 0.27 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.01 2ksy h LEU 141 CO -0.01 0.00 -0.55 0.52 -1.08 0.00 0.00 178.44 177.32 2ksy n VAL 142 N -4.11 0.00 0.00 1.22 0.31 -0.78 -4.47 118.33 110.50 2ksy n VAL 142 Ca 0.02 -0.23 0.00 0.00 -0.01 0.00 0.00 64.34 64.13 2ksy n VAL 142 Cb 0.33 1.07 0.00 0.00 -0.91 0.00 0.00 33.84 34.33 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 1.26 -0.40 0.35 2.92 0.00 0.14 -4.52 105.19 104.94 2ksy n GLY 143 Ca 0.04 -0.55 0.18 0.00 0.00 0.00 0.00 46.02 45.69 2ksy n GLY 143 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 144 N 0.00 0.00 -0.49 1.61 0.11 -1.87 -1.92 132.00 129.44 2ksy h PRO 144 Ca 0.00 0.00 0.14 0.00 0.11 0.00 0.00 66.00 66.25 2ksy h PRO 144 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2ksy h PRO 144 CO 0.00 0.00 0.42 0.52 -0.21 0.00 0.00 178.00 178.73 2ksy h MET 145 N 0.00 0.00 0.06 1.05 2.86 -1.84 0.14 114.93 117.19 2ksy h MET 145 Ca 0.08 0.00 -0.24 0.00 -2.06 0.00 0.00 59.70 57.49 2ksy h MET 145 Cb 0.60 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.25 2ksy h MET 145 CO -0.00 0.00 -1.08 1.79 1.06 0.00 0.00 176.91 178.68 2ksy h THR 146 N 0.00 1.56 -0.12 2.22 1.35 -1.56 -2.73 112.91 113.63 2ksy h THR 146 Ca 0.23 -3.06 -0.23 0.00 -0.55 0.00 0.00 66.41 62.80 2ksy h THR 146 Cb 1.07 2.80 0.01 0.00 -1.73 0.00 0.00 68.15 70.31 2ksy h THR 146 CO -0.00 0.89 -0.81 -0.08 -0.25 0.00 0.00 175.52 175.26 2ksy h GLU 147 N 0.06 0.77 -0.29 4.72 4.81 -0.94 -1.75 114.58 121.96 2ksy h GLU 147 Ca -0.08 -0.66 -0.13 0.00 -0.13 0.00 0.00 59.36 58.37 2ksy h GLU 147 Cb 1.80 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 31.32 2ksy h GLU 147 CO 0.17 1.26 -0.32 1.03 -0.73 0.00 0.00 179.01 180.42 2ksy h SER 148 N 0.49 0.78 -0.31 1.04 0.87 -1.29 -3.11 113.55 112.02 2ksy h SER 148 Ca -0.07 -0.48 -0.17 0.00 -1.23 0.00 0.00 61.79 59.84 2ksy h SER 148 Cb 1.45 -0.22 -0.00 0.00 -0.44 0.00 0.00 62.40 63.19 2ksy h SER 148 CO 0.17 1.10 -0.49 0.00 -0.53 0.00 0.00 176.83 177.08 2ksy h ALA 149 N 0.70 0.48 0.00 6.23 0.00 -1.56 -1.52 119.26 123.60 2ksy h ALA 149 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2ksy h ALA 149 Cb 0.89 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2ksy h ALA 149 CO 0.08 0.66 0.00 0.45 0.00 0.00 0.00 179.25 180.43 2ksy n SER 150 N -4.04 0.00 0.00 0.00 2.88 -0.66 -2.05 113.62 109.75 2ksy n SER 150 Ca -0.04 -0.47 0.00 0.00 -1.33 0.00 0.00 58.87 57.03 2ksy n SER 150 Cb 0.60 -0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.06 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2ksy n GLN 151 N -1.00 0.59 -0.05 -1.46 6.02 -1.08 -4.83 117.38 115.56 2ksy n GLN 151 Ca 0.11 -0.63 -0.11 0.00 -0.01 0.00 0.00 57.00 56.36 2ksy n GLN 151 Cb 0.05 -0.69 -0.10 0.00 1.02 0.00 0.00 30.24 30.53 2ksy n GLN 151 CO 0.00 0.00 0.00 -0.09 -1.01 0.00 0.00 177.06 175.96 2ksy h ARG 152 N 0.00 -0.02 -3.21 -1.09 9.65 -0.68 -3.49 114.38 115.54 2ksy h ARG 152 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.88 2ksy h ARG 152 Cb 0.64 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.17 2ksy h ARG 152 CO 0.00 0.70 0.14 -1.12 2.80 0.00 0.00 179.97 182.49 2ksy s SER 153 N -5.99 -0.09 0.14 -3.80 0.01 -1.26 -5.02 113.70 97.69 2ksy s SER 153 Ca -0.14 -0.85 -0.12 0.00 1.31 0.00 0.00 55.95 56.14 2ksy s SER 153 Cb -0.02 0.72 -0.03 0.00 0.21 0.00 0.00 66.02 66.91 2ksy s SER 153 CO 0.53 -1.38 1.50 0.28 0.41 0.00 0.00 173.24 174.59 2ksy h SER 154 N 2.06 0.92 0.41 2.44 0.02 -1.95 -3.24 113.55 114.21 2ksy h SER 154 Ca -0.24 -0.42 -0.24 0.00 -0.84 0.00 0.00 61.79 60.06 2ksy h SER 154 Cb 1.25 -0.25 0.00 0.00 0.14 0.00 0.00 62.40 63.54 2ksy h SER 154 CO 0.31 1.14 -1.01 1.23 -1.14 0.00 0.00 176.83 177.36 2ksy h GLY 155 N 0.70 0.42 0.02 -3.77 0.00 -1.97 -3.29 103.07 95.18 2ksy h GLY 155 Ca 0.09 -0.79 0.22 0.00 0.00 0.00 0.00 47.33 46.85 2ksy h GLY 155 CO 0.07 0.70 0.62 -2.22 0.00 0.00 0.00 176.54 175.71 2ksy h ILE 156 N 0.19 0.62 -0.98 2.60 1.08 -1.86 -0.18 117.51 118.98 2ksy h ILE 156 Ca -0.09 -0.20 0.01 0.00 -0.39 0.00 0.00 64.86 64.19 2ksy h ILE 156 Cb 1.66 -0.02 -0.05 0.00 -3.07 0.00 0.00 36.82 35.34 2ksy h ILE 156 CO 0.17 0.11 0.65 0.11 -0.69 0.00 0.00 178.15 178.50 2ksy h LYS 157 N 0.59 1.28 -0.06 2.37 1.57 -1.63 0.24 116.57 120.93 2ksy h LYS 157 Ca 0.59 -0.08 -0.06 0.00 -1.87 0.00 0.00 60.65 59.23 2ksy h LYS 157 Cb 1.16 -0.29 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2ksy h LYS 157 CO -0.36 0.85 -0.19 1.03 -0.57 0.00 0.00 179.45 180.21 2ksy h SER 158 N 1.32 0.27 0.47 0.86 0.87 -1.22 -2.60 113.55 113.51 2ksy h SER 158 Ca 0.37 -0.62 -0.08 0.00 -1.23 0.00 0.00 61.79 60.23 2ksy h SER 158 Cb -0.13 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 2ksy h SER 158 CO -0.09 0.84 -0.40 -0.07 -0.53 0.00 0.00 176.83 176.58 2ksy h LEU 159 N -0.29 0.00 -0.07 2.23 3.38 -1.28 -2.82 115.31 116.46 2ksy h LEU 159 Ca -0.01 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 2ksy h LEU 159 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 2ksy h LEU 159 CO 0.04 0.40 -0.22 0.22 0.09 0.00 0.00 178.44 178.97 2ksy h TYR 160 N 0.00 0.35 -0.62 1.13 3.20 -0.54 -1.97 116.97 118.51 2ksy h TYR 160 Ca -0.00 -0.14 -0.02 0.00 3.14 0.00 0.00 58.73 61.70 2ksy h TYR 160 Cb 0.74 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.92 2ksy h TYR 160 CO 0.00 0.84 0.29 -0.39 -1.64 0.00 0.00 178.16 177.26 2ksy h VAL 161 N -0.24 1.22 -0.07 1.81 -1.51 -1.43 0.22 116.25 116.25 2ksy h VAL 161 Ca -0.01 -0.61 -0.02 0.00 -1.23 0.00 0.00 66.70 64.83 2ksy h VAL 161 Cb 0.85 0.48 -0.00 0.00 -2.13 0.00 0.00 31.29 30.49 2ksy h VAL 161 CO 0.05 0.25 -0.04 0.03 -1.23 0.00 0.00 177.57 176.62 2ksy h ARG 162 N 0.85 0.15 -0.26 5.19 3.08 -1.58 -2.52 114.38 119.28 2ksy h ARG 162 Ca 0.21 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.13 2ksy h ARG 162 Cb 0.12 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 2ksy h ARG 162 CO -0.03 0.54 -0.07 -0.07 -1.07 0.00 0.00 179.97 179.28 2ksy h LEU 163 N -0.25 0.52 -0.02 3.04 4.07 -1.30 -2.60 115.31 118.76 2ksy h LEU 163 Ca 0.01 -0.37 0.02 0.00 0.08 0.00 0.00 57.88 57.62 2ksy h LEU 163 Cb 0.51 -0.14 -0.02 0.00 1.08 0.00 0.00 40.66 42.09 2ksy h LEU 163 CO 0.01 0.77 -0.07 -0.09 -1.08 0.00 0.00 178.44 177.97 2ksy h ARG 164 N 0.26 -0.11 -0.90 1.13 1.12 -0.63 -1.65 114.38 113.59 2ksy h ARG 164 Ca 0.07 0.01 0.10 0.00 -1.11 0.00 0.00 59.98 59.04 2ksy h ARG 164 Cb 0.54 0.03 -0.08 0.00 -0.01 0.00 0.00 29.97 30.45 2ksy h ARG 164 CO 0.03 -0.08 0.54 -0.91 -3.11 0.00 0.00 179.97 176.45 2ksy h ASN 165 N -0.12 0.80 0.24 -3.80 -0.26 -1.47 -2.11 115.58 108.87 2ksy h ASN 165 Ca 0.04 0.04 -0.00 0.00 -0.56 0.00 0.00 56.30 55.82 2ksy h ASN 165 Cb 0.17 -0.12 -0.01 0.00 -1.06 0.00 0.00 38.32 37.30 2ksy h ASN 165 CO -0.09 0.46 -0.19 -0.07 -1.06 0.00 0.00 177.43 176.47 2ksy h LEU 166 N 0.91 -0.51 -0.09 1.61 3.38 -0.99 -2.65 115.31 116.96 2ksy h LEU 166 Ca 0.43 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.48 2ksy h LEU 166 Cb 0.37 0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.24 2ksy h LEU 166 CO -0.24 -0.30 -0.19 0.74 0.09 0.00 0.00 178.44 178.55 2ksy h THR 167 N -0.45 0.53 -0.96 0.22 2.02 -0.75 -2.39 112.91 111.13 2ksy h THR 167 Ca -0.01 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.28 2ksy h THR 167 Cb 0.40 0.53 -0.08 0.00 -1.74 0.00 0.00 68.15 67.26 2ksy h THR 167 CO -0.02 0.00 0.60 0.58 0.37 0.00 0.00 175.52 177.05 2ksy h VAL 168 N -0.25 0.93 0.16 3.16 2.07 -1.36 -1.46 116.25 119.50 2ksy h VAL 168 Ca 0.09 -0.33 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2ksy h VAL 168 Cb 0.38 -0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.03 2ksy h VAL 168 CO -0.24 0.18 -0.07 0.58 0.02 0.00 0.00 177.57 178.03 2ksy h VAL 169 N 0.97 0.00 -0.51 2.57 2.07 -1.07 -2.22 116.25 118.06 2ksy h VAL 169 Ca 0.47 -0.13 0.03 0.00 0.82 0.00 0.00 66.70 67.89 2ksy h VAL 169 Cb 0.43 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 30.17 2ksy h VAL 169 CO -0.25 0.00 0.34 0.17 0.02 0.00 0.00 177.57 177.84 2ksy h LEU 170 N -0.34 0.52 -0.59 2.57 8.10 -1.51 -1.70 115.31 122.35 2ksy h LEU 170 Ca -0.02 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.81 2ksy h LEU 170 Cb 0.16 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 40.24 2ksy h LEU 170 CO 0.03 0.36 -0.68 -0.50 -4.11 0.00 0.00 178.44 173.55 2ksy h TRP 171 N 0.60 0.17 0.00 0.17 4.06 -1.38 -2.59 115.95 116.98 2ksy h TRP 171 Ca 0.20 -0.07 0.00 0.00 2.06 0.00 0.00 58.89 61.08 2ksy h TRP 171 Cb 0.06 -0.03 0.00 0.00 -1.00 0.00 0.00 29.16 28.19 2ksy h TRP 171 CO -0.00 0.76 0.00 0.00 -3.56 0.00 0.00 178.44 175.64 2ksy n ALA 172 N -2.44 1.86 0.02 1.49 0.00 -0.65 -2.13 120.51 118.66 2ksy n ALA 172 Ca -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 53.44 53.30 2ksy n ALA 172 Cb 0.67 -1.27 -0.11 0.00 0.00 0.00 0.00 19.45 18.74 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 0.81 -0.39 0.00 1.08 -1.33 -3.38 117.51 114.30 2ksy h ILE 173 Ca 0.00 -2.48 0.07 0.00 -0.39 0.00 0.00 64.86 62.06 2ksy h ILE 173 Cb 0.20 2.32 -0.06 0.00 -3.07 0.00 0.00 36.82 36.21 2ksy h ILE 173 CO 0.00 0.46 0.02 1.88 -0.69 0.00 0.00 178.15 179.82 2ksy h TYR 174 N 0.00 0.01 -1.31 1.37 0.05 -1.47 -0.95 116.97 114.66 2ksy h TYR 174 Ca -0.19 0.03 0.39 0.00 0.05 0.00 0.00 58.73 59.00 2ksy h TYR 174 Cb 1.79 0.05 -0.09 0.00 1.01 0.00 0.00 36.73 39.50 2ksy h TYR 174 CO 0.00 -0.06 0.90 -1.35 -1.05 0.00 0.00 178.16 176.60 2ksy h PRO 175 N 0.12 0.12 0.00 4.88 0.11 -1.74 -0.23 132.00 135.26 2ksy h PRO 175 Ca 0.19 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 2ksy h PRO 175 Cb 0.26 -0.03 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2ksy h PRO 175 CO -0.30 0.08 -0.12 0.74 -0.21 0.00 0.00 178.00 178.19 2ksy h PHE 176 N 0.12 0.00 -0.39 0.65 0.04 -1.44 -3.26 116.94 112.67 2ksy h PHE 176 Ca 0.70 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.53 2ksy h PHE 176 Cb 2.40 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 40.53 2ksy h PHE 176 CO -0.00 0.99 0.26 0.82 -0.60 0.00 0.00 178.31 179.78 2ksy h ILE 177 N -1.00 0.97 -0.03 -0.55 1.08 -0.44 0.34 117.51 117.86 2ksy h ILE 177 Ca -0.03 -0.11 -0.16 0.00 -0.39 0.00 0.00 64.86 64.17 2ksy h ILE 177 Cb 0.97 0.63 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 2ksy h ILE 177 CO -0.02 0.06 -0.70 -0.25 -0.69 0.00 0.00 178.15 176.55 2ksy h TRP 178 N 0.31 0.24 0.00 1.37 7.01 -1.25 -1.01 115.95 122.61 2ksy h TRP 178 Ca 0.17 -0.11 -0.02 0.00 2.11 0.00 0.00 58.89 61.04 2ksy h TRP 178 Cb 0.28 -0.04 -0.00 0.00 -2.10 0.00 0.00 29.16 27.30 2ksy h TRP 178 CO -0.00 0.81 -0.16 1.25 -2.79 0.00 0.00 178.44 177.55 2ksy h LEU 179 N 0.12 0.00 0.12 0.65 5.85 -1.18 -3.13 115.31 117.74 2ksy h LEU 179 Ca -0.02 -0.43 -0.01 0.00 0.84 0.00 0.00 57.88 58.27 2ksy h LEU 179 Cb 1.24 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.27 2ksy h LEU 179 CO 0.10 0.81 -0.06 -0.07 -0.34 0.00 0.00 178.44 178.88 2ksy h LEU 180 N -1.00 -0.14 0.00 2.25 3.38 -0.52 0.11 115.31 119.39 2ksy h LEU 180 Ca -0.03 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2ksy h LEU 180 Cb 0.55 0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.33 2ksy h LEU 180 CO -0.02 -0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.12 2ksy n GLY 181 N -0.88 -1.44 3.02 0.83 0.00 -0.38 -2.14 105.19 104.18 2ksy n GLY 181 Ca -0.08 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.74 2ksy n GLY 181 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2ksy n PRO 182 N -0.26 -1.77 0.00 1.61 -0.02 -1.18 -4.32 135.00 129.05 2ksy n PRO 182 Ca 0.00 -0.52 0.00 0.00 -2.02 0.00 0.00 63.50 60.96 2ksy n PRO 182 Cb 0.00 -1.41 0.00 0.00 -0.02 0.00 0.00 33.50 32.07 2ksy n PRO 182 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 2ksy n PRO 183 N -1.07 0.00 -0.15 0.52 -0.04 -1.26 -3.52 135.00 129.48 2ksy n PRO 183 Ca 0.04 0.00 -0.07 0.00 -0.04 0.00 0.00 63.50 63.43 2ksy n PRO 183 Cb 0.38 -1.00 0.02 0.00 -0.04 0.00 0.00 33.50 32.86 2ksy n PRO 183 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2ksy h GLY 184 N 0.60 0.66 0.00 0.55 0.00 -1.63 -3.42 103.07 99.83 2ksy h GLY 184 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 184 CO 0.00 0.21 0.00 3.33 0.00 0.00 0.00 176.54 180.08 2ksy n VAL 185 N -4.79 0.00 -2.42 4.60 0.24 0.37 -4.95 118.33 111.38 2ksy n VAL 185 Ca 0.02 0.00 -0.04 0.00 -2.04 0.00 0.00 64.34 62.28 2ksy n VAL 185 Cb 0.04 0.00 0.01 0.00 -1.47 0.00 0.00 33.84 32.42 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 -1.06 -2.82 -0.09 2.33 0.00 -1.03 -5.01 120.51 112.83 2ksy n ALA 186 Ca 0.00 0.61 -0.23 0.00 0.00 0.00 0.00 53.44 53.82 2ksy n ALA 186 Cb 0.00 -2.18 -0.12 0.00 0.00 0.00 0.00 19.45 17.16 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 -0.62 2.17 0.00 0.00 4.77 -0.91 -5.02 117.00 117.39 2ksy n LEU 187 Ca 0.06 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.35 2ksy n LEU 187 Cb 0.35 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.46 2ksy n LEU 187 CO 0.32 0.53 0.00 0.18 -1.33 0.00 0.00 177.39 177.10 2ksy n LEU 188 N -4.06 0.00 -4.74 2.23 4.77 -1.26 -5.11 117.00 108.82 2ksy n LEU 188 Ca -0.37 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.20 2ksy n LEU 188 Cb 0.84 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.88 2ksy n LEU 188 CO 0.23 -0.14 0.59 -0.89 -1.33 0.00 0.00 177.39 175.84 2ksy s THR 189 N 0.44 4.47 0.34 -5.08 2.01 -1.26 -4.95 115.64 111.61 2ksy s THR 189 Ca 0.00 1.91 0.12 0.00 0.31 0.00 0.00 61.69 64.03 2ksy s THR 189 Cb 0.00 -4.24 0.34 0.00 0.01 0.00 0.00 72.50 68.60 2ksy s THR 189 CO 0.00 0.39 1.74 1.55 -0.69 0.00 0.00 174.62 177.61 2ksy h PRO 190 N 5.17 0.51 -0.57 4.92 0.13 -1.95 0.89 132.00 141.10 2ksy h PRO 190 Ca -0.44 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.69 2ksy h PRO 190 Cb 1.21 -0.12 -0.04 0.00 0.13 0.00 0.00 31.00 32.18 2ksy h PRO 190 CO 0.70 0.34 0.34 1.79 -0.23 0.00 0.00 178.00 180.94 2ksy h THR 191 N 0.53 1.04 -0.96 1.56 1.35 -1.98 -1.93 112.91 112.52 2ksy h THR 191 Ca 0.63 -0.23 0.01 0.00 -0.55 0.00 0.00 66.41 66.27 2ksy h THR 191 Cb 1.32 0.32 -0.05 0.00 -1.73 0.00 0.00 68.15 68.01 2ksy h THR 191 CO -0.43 0.12 0.62 0.58 -0.25 0.00 0.00 175.52 176.16 2ksy h VAL 192 N 0.66 1.25 -0.58 6.82 2.07 -1.22 -2.44 116.25 122.81 2ksy h VAL 192 Ca 0.24 -0.48 0.06 0.00 0.82 0.00 0.00 66.70 67.34 2ksy h VAL 192 Cb 0.06 -0.15 -0.05 0.00 -1.52 0.00 0.00 31.29 29.62 2ksy h VAL 192 CO -0.12 0.25 0.28 -0.78 0.02 0.00 0.00 177.57 177.22 2ksy h ASP 193 N 1.30 0.38 -0.52 0.57 3.58 -0.91 -1.62 116.42 119.20 2ksy h ASP 193 Ca 0.35 0.04 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 2ksy h ASP 193 Cb -0.13 -0.02 -0.03 0.00 1.72 0.00 0.00 39.33 40.87 2ksy h ASP 193 CO -0.07 0.25 0.19 0.58 -2.88 0.00 0.00 179.24 177.31 2ksy h VAL 194 N 0.53 1.22 -0.34 2.25 2.07 -1.02 -1.27 116.25 119.68 2ksy h VAL 194 Ca 0.27 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.10 2ksy h VAL 194 Cb 0.22 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 2ksy h VAL 194 CO -0.21 0.28 0.13 0.00 0.02 0.00 0.00 177.57 177.79 2ksy h ALA 195 N 1.38 0.40 -0.24 1.67 0.00 -0.91 0.13 119.26 121.69 2ksy h ALA 195 Ca 0.19 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 55.07 2ksy h ALA 195 Cb 0.22 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2ksy h ALA 195 CO -0.01 -0.26 -0.12 -0.07 0.00 0.00 0.00 179.25 178.79 2ksy h LEU 196 N 0.28 0.52 0.45 0.00 3.38 -1.19 -2.11 115.31 116.64 2ksy h LEU 196 Ca 0.15 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.70 2ksy h LEU 196 Cb 0.12 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 2ksy h LEU 196 CO -0.15 0.82 -0.44 0.40 0.09 0.00 0.00 178.44 179.16 2ksy h ILE 197 N 0.23 0.13 -0.90 1.22 1.08 -0.96 0.31 117.51 118.62 2ksy h ILE 197 Ca 0.05 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.72 2ksy h ILE 197 Cb 0.62 0.13 -0.07 0.00 -3.07 0.00 0.00 36.82 34.43 2ksy h ILE 197 CO 0.04 0.00 0.59 0.58 -0.69 0.00 0.00 178.15 178.67 2ksy h VAL 198 N -0.90 0.69 -0.12 1.67 2.07 -0.81 0.39 116.25 119.24 2ksy h VAL 198 Ca -0.05 -0.15 -0.13 0.00 0.82 0.00 0.00 66.70 67.20 2ksy h VAL 198 Cb 0.79 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.77 2ksy h VAL 198 CO -0.06 0.08 -0.50 0.22 0.02 0.00 0.00 177.57 177.33 2ksy h TYR 199 N 0.42 0.39 -0.42 1.57 3.20 -0.49 -1.69 116.97 119.96 2ksy h TYR 199 Ca 0.47 -0.12 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 2ksy h TYR 199 Cb 1.14 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 39.32 2ksy h TYR 199 CO -0.00 0.75 -0.07 -0.07 -1.64 0.00 0.00 178.16 177.13 2ksy h LEU 200 N 0.25 0.79 -0.63 2.82 3.38 0.35 -1.43 115.31 120.84 2ksy h LEU 200 Ca 0.01 -0.35 -0.15 0.00 0.09 0.00 0.00 57.88 57.48 2ksy h LEU 200 Cb 0.97 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 2ksy h LEU 200 CO 0.08 0.95 -0.65 0.44 0.09 0.00 0.00 178.44 179.35 2ksy h ASP 201 N 0.61 0.16 0.41 -0.43 3.32 -1.28 -2.74 116.42 116.46 2ksy h ASP 201 Ca 0.11 -0.10 -0.12 0.00 0.02 0.00 0.00 57.03 56.93 2ksy h ASP 201 Cb 0.59 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2ksy h ASP 201 CO 0.04 0.77 -0.54 -0.07 -1.72 0.00 0.00 179.24 177.72 2ksy h LEU 202 N 0.10 0.16 0.17 1.55 3.38 -1.12 -3.22 115.31 116.32 2ksy h LEU 202 Ca -0.01 -0.08 -0.30 0.00 0.09 0.00 0.00 57.88 57.57 2ksy h LEU 202 Cb 1.17 -0.04 0.02 0.00 0.09 0.00 0.00 40.66 41.89 2ksy h LEU 202 CO 0.09 0.67 -1.39 1.62 0.09 0.00 0.00 178.44 179.52 2ksy h VAL 203 N 0.11 1.35 0.00 1.22 3.04 -1.20 -2.07 116.25 118.69 2ksy h VAL 203 Ca -0.00 -2.88 0.00 0.00 -1.01 0.00 0.00 66.70 62.81 2ksy h VAL 203 Cb 0.99 2.95 0.00 0.00 -2.01 0.00 0.00 31.29 33.22 2ksy h VAL 203 CO 0.08 0.85 0.00 0.41 -1.01 0.00 0.00 177.57 177.90 2ksy n THR 204 N -3.59 0.00 0.00 3.17 -1.04 -1.04 -0.50 114.28 111.28 2ksy n THR 204 Ca -0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.88 2ksy n THR 204 Cb 1.06 -0.39 0.00 0.00 -1.82 0.00 0.00 70.33 69.17 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 -0.65 0.00 0.49 12.58 0.31 -0.78 -2.24 118.33 128.03 2ksy n VAL 206 Ca 0.04 0.00 -0.19 0.00 -0.01 0.00 0.00 64.34 64.17 2ksy n VAL 206 Cb 0.02 0.00 -0.09 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 -1.29 0.43 2.92 0.00 -0.79 -1.13 103.07 103.20 2ksy h GLY 207 Ca 0.00 0.48 0.08 0.00 0.00 0.00 0.00 47.33 47.89 2ksy h GLY 207 CO 0.00 -0.47 0.13 0.74 0.00 0.00 0.00 176.54 176.94 2ksy h PHE 208 N -1.30 0.23 -0.56 5.60 -1.00 -1.38 -0.69 116.94 117.85 2ksy h PHE 208 Ca -0.13 0.03 0.10 0.00 2.81 0.00 0.00 57.97 60.79 2ksy h PHE 208 Cb 0.95 -0.03 -0.03 0.00 3.61 0.00 0.00 35.95 40.45 2ksy h PHE 208 CO -0.00 0.04 0.38 0.78 -1.61 0.00 0.00 178.31 177.90 2ksy h GLY 209 N 0.29 0.45 0.70 -1.45 0.00 -1.73 1.74 103.07 103.07 2ksy h GLY 209 Ca 0.25 -0.13 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 2ksy h GLY 209 CO -0.29 0.08 -0.25 0.74 0.00 0.00 0.00 176.54 176.82 2ksy h PHE 210 N 0.32 0.44 0.00 5.60 0.04 0.18 0.27 116.94 123.79 2ksy h PHE 210 Ca 0.26 -0.17 -0.06 0.00 2.80 0.00 0.00 57.97 60.80 2ksy h PHE 210 Cb 0.60 -0.08 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2ksy h PHE 210 CO -0.00 0.86 -0.28 0.82 -0.60 0.00 0.00 178.31 179.12 2ksy h ILE 211 N -0.11 0.93 -0.32 -0.55 2.04 -0.69 -1.74 117.51 117.07 2ksy h ILE 211 Ca -0.00 -1.05 -0.09 0.00 1.00 0.00 0.00 64.86 64.72 2ksy h ILE 211 Cb 0.86 1.62 -0.01 0.00 -0.74 0.00 0.00 36.82 38.54 2ksy h ILE 211 CO 0.05 0.27 -0.14 0.00 0.00 0.00 0.00 178.15 178.34 2ksy h ALA 212 N 1.72 0.44 0.21 1.87 0.00 0.30 -1.83 119.26 121.98 2ksy h ALA 212 Ca -0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2ksy h ALA 212 Cb 0.59 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2ksy h ALA 212 CO 0.04 0.33 -0.10 -0.07 0.00 0.00 0.00 179.25 179.45 2ksy h LEU 213 N 0.42 -0.24 -1.47 0.00 3.38 -0.17 -2.49 115.31 114.74 2ksy h LEU 213 Ca 0.07 -0.29 0.12 0.00 0.09 0.00 0.00 57.88 57.87 2ksy h LEU 213 Cb 0.66 0.06 -0.05 0.00 0.09 0.00 0.00 40.66 41.42 2ksy h LEU 213 CO 0.04 0.23 0.49 -0.78 0.09 0.00 0.00 178.44 178.52 2ksy h ASP 214 N -0.79 0.52 0.58 -0.43 1.82 -1.41 0.13 116.42 116.85 2ksy h ASP 214 Ca -0.03 0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.60 2ksy h ASP 214 Cb 0.51 -0.09 0.01 0.00 0.68 0.00 0.00 39.33 40.44 2ksy h ASP 214 CO 0.05 0.30 -0.28 0.00 -1.61 0.00 0.00 179.24 177.70 2ksy h ALA 215 N 1.63 -0.78 -0.10 -0.78 0.00 -1.32 -2.49 119.26 115.42 2ksy h ALA 215 Ca 0.36 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2ksy h ALA 215 Cb 0.60 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 2ksy h ALA 215 CO -0.13 -0.80 -0.01 0.00 0.00 0.00 0.00 179.25 178.32 2ksy h ALA 216 N -0.85 1.81 -0.85 0.00 0.00 -1.09 -1.81 119.26 116.46 2ksy h ALA 216 Ca -0.08 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 2ksy h ALA 216 Cb 0.66 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.36 2ksy h ALA 216 CO 0.13 0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.93 2ksy h ALA 217 N 1.86 1.10 -0.37 0.00 0.00 -0.68 -1.91 119.26 119.26 2ksy h ALA 217 Ca 0.03 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 217 Cb 0.11 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.56 2ksy h ALA 217 CO 0.00 0.67 -0.36 1.15 0.00 0.00 0.00 179.25 180.72 2ksy h THR 218 N 1.22 1.28 -0.96 0.00 2.02 -0.87 0.04 112.91 115.64 2ksy h THR 218 Ca 0.29 -1.52 0.02 0.00 0.77 0.00 0.00 66.41 65.96 2ksy h THR 218 Cb 0.13 1.37 -0.05 0.00 -1.74 0.00 0.00 68.15 67.86 2ksy h THR 218 CO -0.03 0.51 0.63 -0.07 0.37 0.00 0.00 175.52 176.92 2ksy h LEU 219 N 0.71 1.08 0.00 2.58 3.38 -1.02 -1.02 115.31 121.01 2ksy h LEU 219 Ca 0.07 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ksy h LEU 219 Cb 0.92 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 41.41 2ksy h LEU 219 CO 0.09 0.77 -0.24 0.03 0.09 0.00 0.00 178.44 179.18 2ksy h ARG 220 N 1.27 0.00 0.00 1.13 3.08 -1.25 -3.03 114.38 115.58 2ksy h ARG 220 Ca 0.36 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.31 2ksy h ARG 220 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2ksy h ARG 220 CO -0.09 0.00 -0.47 0.00 -1.07 0.00 0.00 179.97 178.34 2ksy h ALA 221 N 2.14 0.83 0.00 0.04 0.00 0.26 -3.15 119.26 119.38 2ksy h ALA 221 Ca 0.00 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2ksy h ALA 221 Cb 0.93 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2ksy h ALA 221 CO 0.00 0.59 -1.44 -0.85 0.00 0.00 0.00 179.25 177.54 2ksy n GLU 222 N -3.42 0.63 -2.60 0.00 0.28 -0.63 -5.06 120.64 109.84 2ksy n GLU 222 Ca 0.01 0.11 -0.06 0.00 -0.16 0.00 0.00 57.16 57.06 2ksy n GLU 222 Cb 0.62 -1.75 -0.05 0.00 1.43 0.00 0.00 31.44 31.69 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 -2.71 -4.52 -1.86 -1.84 8.25 -1.15 -4.86 115.22 106.53 2ksy n HIS 223 Ca -0.07 2.64 -0.35 0.00 -0.26 0.00 0.00 57.72 59.68 2ksy n HIS 223 Cb 0.73 -3.92 -0.01 0.00 1.12 0.00 0.00 29.99 27.90 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 1.75 5.07 3.28 -1.41 0.00 -1.26 -4.93 105.19 107.69 2ksy n GLY 224 Ca -0.42 -2.17 -0.25 0.00 0.00 0.00 0.00 46.02 43.18 2ksy n GLY 224 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2ksy s GLU 225 N -2.58 1.26 0.50 1.61 -1.05 -1.26 -5.15 118.70 112.02 2ksy s GLU 225 Ca 0.53 -1.10 -0.06 0.00 -0.15 0.00 0.00 54.97 54.19 2ksy s GLU 225 Cb 0.33 -1.49 0.11 0.00 -0.44 0.00 0.00 34.13 32.65 2ksy s GLU 225 CO -0.24 0.36 0.68 -1.13 0.95 0.00 0.00 175.26 175.89 2ksy n SER 226 N 1.35 0.28 -4.67 0.83 3.41 -1.26 -5.02 113.62 108.54 2ksy n SER 226 Ca -0.19 -1.38 -0.42 0.00 -0.26 0.00 0.00 58.87 56.62 2ksy n SER 226 Cb 0.53 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2ksy n SER 226 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2ksy s LEU 227 N 0.00 4.15 0.06 1.04 1.43 -1.26 -5.04 118.68 119.07 2ksy s LEU 227 Ca 0.40 1.35 -0.11 0.00 -1.03 0.00 0.00 54.13 54.74 2ksy s LEU 227 Cb -0.01 -3.45 -0.06 0.00 0.03 0.00 0.00 46.19 42.70 2ksy s LEU 227 CO 0.28 -0.54 0.41 0.00 0.23 0.00 0.00 176.35 176.73 2ksy s ALA 228 N 2.62 3.71 -0.29 4.21 0.00 -1.26 -5.07 121.76 125.67 2ksy s ALA 228 Ca 0.43 -0.32 0.05 0.00 0.00 0.00 0.00 51.96 52.11 2ksy s ALA 228 Cb -0.16 -2.32 0.20 0.00 0.00 0.00 0.00 23.12 20.84 2ksy s ALA 228 CO 0.11 0.54 0.63 0.20 0.00 0.00 0.00 175.76 177.24 2ksy s GLY 229 N -1.59 -1.24 -0.14 0.00 0.00 -1.26 -5.15 107.32 97.94 2ksy s GLY 229 Ca 0.31 1.13 -0.08 0.00 0.00 0.00 0.00 44.72 46.08 2ksy s GLY 229 CO 0.17 3.73 0.15 0.14 0.00 0.00 0.00 173.10 177.29 2ksy s VAL 230 N 2.82 5.46 -0.73 1.40 1.01 -1.26 -5.05 120.40 124.05 2ksy s VAL 230 Ca 0.12 0.24 -0.22 0.00 0.00 0.00 0.00 61.98 62.11 2ksy s VAL 230 Cb -0.09 -3.44 0.08 0.00 0.00 0.00 0.00 36.38 32.93 2ksy s VAL 230 CO -0.25 0.56 1.03 -1.81 0.00 0.00 0.00 175.10 174.63 2ksy s ASP 231 N -0.62 6.27 -0.10 3.32 1.11 -1.26 -4.99 116.67 120.40 2ksy s ASP 231 Ca 0.13 -1.19 0.01 0.00 0.18 0.00 0.00 52.55 51.68 2ksy s ASP 231 Cb -0.12 -2.43 0.02 0.00 1.07 0.00 0.00 42.92 41.46 2ksy s ASP 231 CO 0.03 -1.39 -0.11 0.42 1.18 0.00 0.00 175.17 175.30 2ksy s THR 232 N 3.91 1.19 -0.03 -1.27 -4.23 -1.26 -5.01 115.64 108.93 2ksy s THR 232 Ca 0.26 -0.44 0.02 0.00 -1.18 0.00 0.00 61.69 60.35 2ksy s THR 232 Cb -0.14 -1.13 -0.25 0.00 1.34 0.00 0.00 72.50 72.32 2ksy s THR 232 CO 0.06 0.38 0.72 -0.78 -0.54 0.00 0.00 174.62 174.46 2ksy h ASP 233 N 7.66 0.24 -3.77 3.99 3.58 -2.08 -3.44 116.42 122.60 2ksy h ASP 233 Ca -0.31 -0.42 -0.66 0.00 0.42 0.00 0.00 57.03 56.06 2ksy h ASP 233 Cb 1.16 -0.08 -0.18 0.00 1.72 0.00 0.00 39.33 41.95 2ksy h ASP 233 CO 0.45 1.36 -0.46 0.42 -2.88 0.00 0.00 179.24 178.13 2ksy s THR 234 N -2.61 5.28 0.87 2.25 -4.23 -1.26 -5.08 115.64 110.86 2ksy s THR 234 Ca -0.10 -0.02 -0.11 0.00 -1.18 0.00 0.00 61.69 60.28 2ksy s THR 234 Cb 0.07 -3.66 0.12 0.00 1.34 0.00 0.00 72.50 70.37 2ksy s THR 234 CO 0.82 0.08 1.15 -2.16 -0.54 0.00 0.00 174.62 173.97 2ksy s PRO 235 N 1.78 1.32 -0.20 3.99 0.04 -1.26 -5.05 135.00 135.62 2ksy s PRO 235 Ca 0.07 1.53 -0.04 0.00 0.04 0.00 0.00 61.00 62.60 2ksy s PRO 235 Cb -0.17 -1.76 0.10 0.00 0.04 0.00 0.00 34.50 32.71 2ksy s PRO 235 CO 0.11 -2.40 0.33 0.00 0.04 0.00 0.00 177.00 175.08 2ksy s ALA 236 N -2.59 -0.84 0.25 8.56 0.00 -1.26 -5.16 121.76 120.72 2ksy s ALA 236 Ca 0.67 0.89 0.08 0.00 0.00 0.00 0.00 51.96 53.60 2ksy s ALA 236 Cb -0.23 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.44 2ksy s ALA 236 CO 0.56 -1.04 0.14 0.14 0.00 0.00 0.00 175.76 175.56 2ksy s VAL 237 N 2.49 4.18 -0.01 0.00 -7.23 -1.26 -5.08 120.40 113.49 2ksy s VAL 237 Ca 0.07 -1.53 -0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2ksy s VAL 237 Cb -0.14 -3.25 -0.00 0.00 0.56 0.00 0.00 36.38 33.54 2ksy s VAL 237 CO -0.13 -0.35 0.21 0.00 -0.31 0.00 0.00 175.10 174.52 2ksy h ALA 238 N 1.62 -0.20 -2.77 1.32 0.00 -2.08 -3.46 119.26 113.68 2ksy h ALA 238 Ca -0.47 -0.01 -0.60 0.00 0.00 0.00 0.00 54.91 53.83 2ksy h ALA 238 Cb 1.24 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.00 2ksy h ALA 238 CO 0.61 -0.20 -0.38 -0.51 0.00 0.00 0.00 179.25 178.77 2ksy s ASP 239 N -3.06 6.46 -0.52 0.00 1.01 -1.26 -5.06 116.67 114.24 2ksy s ASP 239 Ca -0.00 0.50 -0.22 0.00 0.71 0.00 0.00 52.55 53.53 2ksy s ASP 239 Cb 0.00 -2.06 0.04 0.00 1.01 0.00 0.00 42.92 41.92 2ksy s ASP 239 CO 0.01 0.13 0.81 -0.76 0.21 0.00 0.00 175.17 175.57 2ksy s LEU 240 N -2.42 4.41 -0.06 1.23 1.43 -1.26 -4.82 118.68 117.19 2ksy s LEU 240 Ca 0.37 -0.50 0.08 0.00 -1.03 0.00 0.00 54.13 53.04 2ksy s LEU 240 Cb -0.13 -2.72 -0.11 0.00 0.03 0.00 0.00 46.19 43.27 2ksy s LEU 240 CO 0.24 -1.07 0.08 -0.62 0.23 0.00 0.00 176.35 175.21 2ksy n GLU 241 N 6.92 1.92 -1.43 1.70 -0.58 -1.26 -4.99 120.64 122.92 2ksy n GLU 241 Ca -0.01 -0.03 -0.15 0.00 -0.42 0.00 0.00 57.16 56.55 2ksy n GLU 241 Cb 0.47 -1.21 -0.07 0.00 -0.57 0.00 0.00 31.44 30.06 2ksy n GLU 241 CO 0.00 0.00 0.00 0.72 -0.48 0.00 0.00 177.13 177.37 2ksy n HIS 242 N -2.15 -0.08 -0.04 -0.32 8.25 -1.26 -4.74 115.22 114.88 2ksy n HIS 242 Ca -0.10 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 2ksy n HIS 242 Cb 0.60 -3.00 -0.03 0.00 1.12 0.00 0.00 29.99 28.68 2ksy n HIS 242 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ksy n HIS 243 N -2.17 0.00 -1.46 4.41 -0.00 -1.26 -5.13 115.22 109.60 2ksy n HIS 243 Ca -0.15 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 57.76 2ksy n HIS 243 Cb 0.59 -0.30 -0.06 0.00 -0.00 0.00 0.00 29.99 30.23 2ksy n HIS 243 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2ksy n HIS 244 N -3.47 -3.71 -2.62 1.57 8.25 -1.26 -4.67 115.22 109.31 2ksy n HIS 244 Ca -0.16 1.88 -0.43 0.00 -0.26 0.00 0.00 57.72 58.76 2ksy n HIS 244 Cb 0.55 -3.37 -0.02 0.00 1.12 0.00 0.00 29.99 28.27 2ksy n HIS 244 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ksy s HIS 245 N -2.58 3.30 0.55 4.41 3.76 -1.26 -5.04 115.29 118.44 2ksy s HIS 245 Ca 0.00 1.42 0.08 0.00 -0.15 0.00 0.00 55.06 56.41 2ksy s HIS 245 Cb 0.00 -3.29 0.07 0.00 1.11 0.00 0.00 32.58 30.47 2ksy s HIS 245 CO 0.00 -0.65 0.76 -3.38 -0.85 0.00 0.00 174.74 170.63 2ksy s HIS 246 N 2.87 1.77 0.00 1.40 -3.43 -1.26 -5.29 115.29 111.34 2ksy s HIS 246 Ca 0.47 -0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.14 2ksy s HIS 246 Cb -0.17 -2.34 0.00 0.00 -1.43 0.00 0.00 32.58 28.64 2ksy s HIS 246 CO 0.11 -1.04 0.00 1.58 -2.00 0.00 0.00 174.74 173.39