#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 0.81 2.03 0.31 -1.26 -4.75 118.33 115.47 2ksy n VAL 2 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2ksy n VAL 2 Cb 0.00 -0.54 0.30 0.00 -0.91 0.00 0.00 33.84 32.69 2ksy n VAL 2 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2ksy n GLY 3 N 2.48 -1.40 0.18 2.92 0.00 -1.26 -3.84 105.19 104.28 2ksy n GLY 3 Ca 0.00 -0.24 -0.13 0.00 0.00 0.00 0.00 46.02 45.65 2ksy n GLY 3 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2ksy h LEU 4 N 0.00 0.62 -1.71 0.99 5.85 -1.99 -3.18 115.31 115.89 2ksy h LEU 4 Ca 0.00 -0.44 0.05 0.00 0.84 0.00 0.00 57.88 58.33 2ksy h LEU 4 Cb 0.61 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2ksy h LEU 4 CO 0.00 1.21 0.29 0.71 -0.34 0.00 0.00 178.44 180.30 2ksy h THR 5 N 0.33 0.98 -0.78 1.05 1.35 -1.85 -1.56 112.91 112.43 2ksy h THR 5 Ca -0.05 -0.13 0.14 0.00 -0.55 0.00 0.00 66.41 65.82 2ksy h THR 5 Cb 1.42 0.58 -0.05 0.00 -1.73 0.00 0.00 68.15 68.37 2ksy h THR 5 CO 0.15 0.07 0.51 0.71 -0.25 0.00 0.00 175.52 176.71 2ksy h THR 6 N 0.37 0.82 0.27 6.82 1.35 -1.74 -1.88 112.91 118.91 2ksy h THR 6 Ca 0.18 -0.17 -0.00 0.00 -0.55 0.00 0.00 66.41 65.87 2ksy h THR 6 Cb 0.26 0.29 -0.01 0.00 -1.73 0.00 0.00 68.15 66.95 2ksy h THR 6 CO -0.04 0.09 -0.21 -0.07 -0.25 0.00 0.00 175.52 175.04 2ksy h LEU 7 N 0.49 -0.54 -1.07 3.87 -0.00 -1.45 0.63 115.31 117.24 2ksy h LEU 7 Ca 0.38 0.04 -0.06 0.00 -0.00 0.00 0.00 57.88 58.25 2ksy h LEU 7 Cb 0.79 0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 41.60 2ksy h LEU 7 CO -0.13 -0.32 0.05 -0.26 -0.00 0.00 0.00 178.44 177.77 2ksy h PHE 8 N -0.49 0.74 -0.07 1.13 0.04 -1.53 -1.46 116.94 115.30 2ksy h PHE 8 Ca -0.02 -0.08 -0.01 0.00 2.80 0.00 0.00 57.97 60.66 2ksy h PHE 8 Cb 0.43 -0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.36 2ksy h PHE 8 CO -0.12 0.67 0.01 -1.49 -0.60 0.00 0.00 178.31 176.78 2ksy h TRP 9 N 0.67 0.12 -0.86 -0.55 -0.00 -1.08 -1.77 115.95 112.48 2ksy h TRP 9 Ca 0.14 -0.02 0.00 0.00 -0.00 0.00 0.00 58.89 59.02 2ksy h TRP 9 Cb 0.35 -0.03 -0.04 0.00 -0.00 0.00 0.00 29.16 29.43 2ksy h TRP 9 CO 0.02 0.33 0.55 -0.07 -0.00 0.00 0.00 178.44 179.26 2ksy h LEU 10 N -0.12 1.00 -1.41 -4.49 3.38 -0.70 -1.26 115.31 111.72 2ksy h LEU 10 Ca 0.02 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 2ksy h LEU 10 Cb 0.27 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 2ksy h LEU 10 CO 0.00 0.75 -0.21 1.23 0.09 0.00 0.00 178.44 180.30 2ksy h GLY 11 N 1.18 0.14 1.94 0.83 0.00 -1.06 -2.12 103.07 103.98 2ksy h GLY 11 Ca 0.31 -0.09 -0.12 0.00 0.00 0.00 0.00 47.33 47.43 2ksy h GLY 11 CO -0.06 0.08 -0.55 0.00 0.00 0.00 0.00 176.54 176.00 2ksy h ALA 12 N 1.67 1.04 0.32 3.60 0.00 -0.34 -1.29 119.26 124.26 2ksy h ALA 12 Ca 0.02 -0.51 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 2ksy h ALA 12 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2ksy h ALA 12 CO 0.03 0.69 -0.15 0.82 0.00 0.00 0.00 179.25 180.64 2ksy h ILE 13 N 0.05 0.68 -0.46 0.00 2.04 -0.84 -0.56 117.51 118.43 2ksy h ILE 13 Ca -0.00 -0.57 -0.04 0.00 1.00 0.00 0.00 64.86 65.25 2ksy h ILE 13 Cb 1.00 0.96 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 2ksy h ILE 13 CO 0.08 0.11 0.13 1.23 0.00 0.00 0.00 178.15 179.69 2ksy h GLY 14 N -0.75 0.72 0.92 5.37 0.00 -1.50 -2.53 103.07 105.31 2ksy h GLY 14 Ca -0.04 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 46.89 2ksy h GLY 14 CO 0.07 0.36 0.13 1.98 0.00 0.00 0.00 176.54 179.08 2ksy h MET 15 N 0.66 0.44 -1.01 4.80 1.85 -1.18 -2.35 114.93 118.15 2ksy h MET 15 Ca 0.15 -0.07 0.15 0.00 -0.61 0.00 0.00 59.70 59.32 2ksy h MET 15 Cb 0.22 -0.07 -0.09 0.00 0.43 0.00 0.00 31.60 32.08 2ksy h MET 15 CO -0.01 0.44 0.63 1.25 -0.40 0.00 0.00 176.91 178.82 2ksy h LEU 16 N 0.34 0.87 -0.48 3.39 7.12 -0.68 0.55 115.31 126.43 2ksy h LEU 16 Ca 0.10 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.20 2ksy h LEU 16 Cb 0.16 -0.10 -0.03 0.00 -0.53 0.00 0.00 40.66 40.16 2ksy h LEU 16 CO -0.01 0.41 0.29 0.58 -0.13 0.00 0.00 178.44 179.57 2ksy h VAL 17 N 0.90 1.06 -0.55 1.05 2.07 -1.11 -2.12 116.25 117.55 2ksy h VAL 17 Ca 0.53 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.81 2ksy h VAL 17 Cb 0.66 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.83 2ksy h VAL 17 CO -0.31 0.11 0.18 1.23 0.02 0.00 0.00 177.57 178.79 2ksy h GLY 18 N 0.58 0.92 0.28 2.17 0.00 -0.64 -1.47 103.07 104.91 2ksy h GLY 18 Ca 0.19 -0.54 0.10 0.00 0.00 0.00 0.00 47.33 47.08 2ksy h GLY 18 CO -0.08 0.51 0.16 -0.84 0.00 0.00 0.00 176.54 176.28 2ksy h THR 19 N 0.77 0.69 -0.24 4.70 2.02 -0.50 -1.00 112.91 119.36 2ksy h THR 19 Ca 0.18 -0.10 -0.19 0.00 0.77 0.00 0.00 66.41 67.07 2ksy h THR 19 Cb 0.27 0.36 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2ksy h THR 19 CO -0.01 0.06 -0.60 -0.07 0.37 0.00 0.00 175.52 175.27 2ksy h LEU 20 N 0.30 0.89 -1.64 2.58 3.38 -1.26 -0.42 115.31 119.15 2ksy h LEU 20 Ca 0.30 -0.50 0.01 0.00 0.09 0.00 0.00 57.88 57.78 2ksy h LEU 20 Cb 0.42 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 2ksy h LEU 20 CO -0.36 1.28 0.25 0.00 0.09 0.00 0.00 178.44 179.71 2ksy h ALA 21 N 0.72 1.75 0.06 1.53 0.00 -0.41 -0.41 119.26 122.50 2ksy h ALA 21 Ca -0.00 -0.02 -0.33 0.00 0.00 0.00 0.00 54.91 54.55 2ksy h ALA 21 Cb 1.20 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.81 2ksy h ALA 21 CO 0.13 0.22 -1.89 1.19 0.00 0.00 0.00 179.25 178.90 2ksy n PHE 22 N -4.48 1.04 0.04 0.00 3.72 -0.46 -3.32 117.46 114.00 2ksy n PHE 22 Ca 0.03 0.29 -0.13 0.00 -0.05 0.00 0.00 57.45 57.59 2ksy n PHE 22 Cb 0.08 -1.16 -0.09 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 0.55 -0.09 -0.33 4.37 0.00 -0.84 0.21 119.26 123.14 2ksy h ALA 23 Ca -0.37 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.33 2ksy h ALA 23 Cb 2.03 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.84 2ksy h ALA 23 CO 0.08 -0.39 0.04 2.35 0.00 0.00 0.00 179.25 181.33 2ksy h TRP 24 N -0.42 0.58 0.00 0.00 2.91 -1.28 -2.37 115.95 115.38 2ksy h TRP 24 Ca -0.01 -0.09 -0.05 0.00 1.13 0.00 0.00 58.89 59.88 2ksy h TRP 24 Cb 0.36 -0.16 -0.01 0.00 -0.51 0.00 0.00 29.16 28.85 2ksy h TRP 24 CO 0.03 0.63 -0.22 0.00 -1.03 0.00 0.00 178.44 177.85 2ksy h ALA 25 N 0.88 1.03 -0.19 2.65 0.00 -1.59 -3.13 119.26 118.91 2ksy h ALA 25 Ca 0.10 -0.20 -0.18 0.00 0.00 0.00 0.00 54.91 54.62 2ksy h ALA 25 Cb 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.13 2ksy h ALA 25 CO 0.01 0.28 -0.59 0.78 0.00 0.00 0.00 179.25 179.72 2ksy h GLY 26 N 2.00 0.81 2.00 0.00 0.00 -0.27 -2.99 103.07 104.63 2ksy h GLY 26 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 47.33 46.27 2ksy h GLY 26 CO 0.03 0.94 0.00 0.54 0.00 0.00 0.00 176.54 178.05 2ksy n ARG 27 N -4.07 0.00 -3.77 4.80 1.74 -0.92 -4.04 116.66 110.41 2ksy n ARG 27 Ca -0.06 0.27 -0.29 0.00 -0.77 0.00 0.00 57.85 56.99 2ksy n ARG 27 Cb 0.65 -1.50 -0.13 0.00 -1.02 0.00 0.00 32.46 30.46 2ksy n ARG 27 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 2ksy s ASP 28 N -3.01 3.80 0.00 0.55 -1.08 -1.13 -4.91 116.67 110.89 2ksy s ASP 28 Ca 0.06 -2.83 0.00 0.00 -0.52 0.00 0.00 52.55 49.27 2ksy s ASP 28 Cb 0.09 -1.19 0.00 0.00 -1.46 0.00 0.00 42.92 40.36 2ksy s ASP 28 CO 0.24 -0.24 0.00 0.00 0.52 0.00 0.00 175.17 175.69 2ksy n ALA 29 N 3.29 0.00 -2.00 3.66 0.00 -1.26 -4.85 120.51 119.36 2ksy n ALA 29 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 2ksy n ALA 29 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.88 2.58 0.00 0.00 0.00 -1.26 -5.06 105.19 100.57 2ksy n GLY 30 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2ksy n GLY 30 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2ksy n SER 31 N 0.00 0.68 0.10 1.61 3.41 -1.26 -4.75 113.62 113.41 2ksy n SER 31 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 58.87 58.43 2ksy n SER 31 Cb 0.00 0.02 -0.14 0.00 -0.26 0.00 0.00 64.21 63.82 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2ksy h GLY 32 N 0.00 0.37 2.00 5.00 0.00 -2.03 -3.28 103.07 105.13 2ksy h GLY 32 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 47.33 46.37 2ksy h GLY 32 CO 0.00 0.83 -0.07 0.83 0.00 0.00 0.00 176.54 178.13 2ksy h GLU 33 N 0.09 0.00 -0.79 4.80 4.39 -1.98 -3.14 114.58 117.95 2ksy h GLU 33 Ca -0.19 0.00 0.23 0.00 0.34 0.00 0.00 59.36 59.74 2ksy h GLU 33 Cb 2.03 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 30.64 2ksy h GLU 33 CO 0.21 0.07 0.60 -0.09 -1.16 0.00 0.00 179.01 178.63 2ksy h ARG 34 N 0.00 0.00 -0.12 2.33 2.43 -1.85 -0.63 114.38 116.54 2ksy h ARG 34 Ca -0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ksy h ARG 34 Cb 0.68 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.22 2ksy h ARG 34 CO 0.01 0.00 0.08 -0.09 -1.51 0.00 0.00 179.97 178.46 2ksy h ARG 35 N 0.00 0.16 0.00 0.20 2.43 -1.76 0.15 114.38 115.55 2ksy h ARG 35 Ca 0.37 -0.01 -0.08 0.00 -0.81 0.00 0.00 59.98 59.46 2ksy h ARG 35 Cb 1.56 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 31.07 2ksy h ARG 35 CO -0.00 0.11 -0.37 1.88 -1.51 0.00 0.00 179.97 180.08 2ksy h TYR 36 N 0.16 0.00 0.12 2.20 -1.99 -1.36 -2.61 116.97 113.48 2ksy h TYR 36 Ca 0.04 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2ksy h TYR 36 Cb -0.01 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.72 2ksy h TYR 36 CO -0.07 0.37 -0.06 1.88 -0.00 0.00 0.00 178.16 180.28 2ksy h TYR 37 N 0.00 -0.15 -0.83 4.88 0.05 -1.02 -1.42 116.97 118.48 2ksy h TYR 37 Ca -0.00 -0.00 0.08 0.00 0.05 0.00 0.00 58.73 58.85 2ksy h TYR 37 Cb 0.66 0.05 -0.05 0.00 1.01 0.00 0.00 36.73 38.39 2ksy h TYR 37 CO 0.00 0.33 0.54 0.28 -1.05 0.00 0.00 178.16 178.26 2ksy h VAL 38 N -0.77 1.01 -0.24 -2.88 2.07 -0.99 0.67 116.25 115.12 2ksy h VAL 38 Ca -0.02 -0.29 -0.03 0.00 0.82 0.00 0.00 66.70 67.18 2ksy h VAL 38 Cb 0.55 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 2ksy h VAL 38 CO 0.03 0.16 0.02 0.74 0.02 0.00 0.00 177.57 178.53 2ksy h THR 39 N 0.86 1.24 0.00 2.57 2.02 -1.48 -0.82 112.91 117.29 2ksy h THR 39 Ca 0.37 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.71 2ksy h THR 39 Cb 0.31 1.32 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 2ksy h THR 39 CO -0.14 0.26 -0.01 0.25 0.37 0.00 0.00 175.52 176.25 2ksy h LEU 40 N 0.20 -0.03 -1.54 2.58 5.85 -0.22 -1.88 115.31 120.26 2ksy h LEU 40 Ca 0.07 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.82 2ksy h LEU 40 Cb 0.37 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 2ksy h LEU 40 CO 0.01 -0.02 0.34 0.58 -0.34 0.00 0.00 178.44 179.01 2ksy h VAL 41 N -0.02 1.07 -0.94 1.05 2.07 -0.87 -1.44 116.25 117.17 2ksy h VAL 41 Ca 0.01 -0.21 0.03 0.00 0.82 0.00 0.00 66.70 67.35 2ksy h VAL 41 Cb 0.03 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.16 2ksy h VAL 41 CO -0.01 0.11 0.62 1.23 0.02 0.00 0.00 177.57 179.53 2ksy h GLY 42 N 0.61 1.34 0.76 2.17 0.00 -0.34 0.58 103.07 108.19 2ksy h GLY 42 Ca 0.20 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 2ksy h GLY 42 CO -0.05 0.42 -0.26 -2.22 0.00 0.00 0.00 176.54 174.43 2ksy h ILE 43 N 1.20 0.35 -0.01 2.60 2.04 -0.85 -2.24 117.51 120.60 2ksy h ILE 43 Ca 0.36 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.88 2ksy h ILE 43 Cb -0.03 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2ksy h ILE 43 CO -0.10 0.04 0.02 -1.28 0.00 0.00 0.00 178.15 176.83 2ksy h SER 44 N -0.98 0.00 0.29 1.72 0.87 -1.34 -2.13 113.55 111.98 2ksy h SER 44 Ca -0.07 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.47 2ksy h SER 44 Cb 0.63 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.59 2ksy h SER 44 CO 0.12 0.00 -0.14 1.23 -0.53 0.00 0.00 176.83 177.52 2ksy h GLY 45 N 0.00 -0.40 1.31 5.77 0.00 -0.71 -2.55 103.07 106.49 2ksy h GLY 45 Ca 0.01 0.15 0.04 0.00 0.00 0.00 0.00 47.33 47.52 2ksy h GLY 45 CO -0.00 -0.15 0.38 0.16 0.00 0.00 0.00 176.54 176.93 2ksy h ILE 46 N -1.09 1.06 -0.27 2.60 3.07 -1.31 -2.25 117.51 119.33 2ksy h ILE 46 Ca -0.04 -0.22 -0.04 0.00 1.55 0.00 0.00 64.86 66.11 2ksy h ILE 46 Cb 0.32 0.36 -0.01 0.00 -0.27 0.00 0.00 36.82 37.22 2ksy h ILE 46 CO 0.06 0.12 0.01 0.00 -1.05 0.00 0.00 178.15 177.29 2ksy h ALA 47 N 1.67 0.36 -0.09 0.16 0.00 -1.49 -1.38 119.26 118.49 2ksy h ALA 47 Ca 0.23 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 47 Cb 0.12 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 2ksy h ALA 47 CO -0.06 0.09 -0.16 0.00 0.00 0.00 0.00 179.25 179.11 2ksy h ALA 48 N 0.83 -0.12 -0.30 0.00 0.00 -0.96 0.43 119.26 119.14 2ksy h ALA 48 Ca 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 48 Cb 0.40 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2ksy h ALA 48 CO 0.01 -0.63 -0.05 -0.39 0.00 0.00 0.00 179.25 178.20 2ksy h VAL 49 N -0.22 1.20 -0.54 0.00 -1.51 -1.49 -2.23 116.25 111.47 2ksy h VAL 49 Ca 0.08 -0.83 -0.08 0.00 -1.23 0.00 0.00 66.70 64.65 2ksy h VAL 49 Cb 0.34 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.51 2ksy h VAL 49 CO -0.22 0.28 0.03 0.00 -1.23 0.00 0.00 177.57 176.42 2ksy h ALA 50 N 1.51 1.04 0.00 5.19 0.00 -0.29 -0.91 119.26 125.79 2ksy h ALA 50 Ca 0.09 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.63 2ksy h ALA 50 Cb 0.37 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2ksy h ALA 50 CO 0.02 0.60 -0.49 1.88 0.00 0.00 0.00 179.25 181.26 2ksy h TYR 51 N 0.83 0.00 -0.07 0.00 0.05 -0.49 -0.57 116.97 116.72 2ksy h TYR 51 Ca 0.16 0.00 -0.20 0.00 0.05 0.00 0.00 58.73 58.74 2ksy h TYR 51 Cb 0.45 0.00 0.01 0.00 1.01 0.00 0.00 36.73 38.21 2ksy h TYR 51 CO 0.03 0.49 -0.75 0.00 -1.05 0.00 0.00 178.16 176.88 2ksy h ALA 52 N 1.51 0.19 -0.11 3.88 0.00 -0.91 -2.13 119.26 121.69 2ksy h ALA 52 Ca -0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 54.91 54.17 2ksy h ALA 52 Cb 0.92 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.73 2ksy h ALA 52 CO 0.06 0.55 -0.49 -0.39 0.00 0.00 0.00 179.25 178.98 2ksy h VAL 53 N 0.28 1.36 -0.19 0.00 -1.51 -1.10 -2.88 116.25 112.22 2ksy h VAL 53 Ca -0.07 -1.81 -0.04 0.00 -1.23 0.00 0.00 66.70 63.55 2ksy h VAL 53 Cb 1.40 2.17 -0.01 0.00 -2.13 0.00 0.00 31.29 32.72 2ksy h VAL 53 CO 0.15 0.54 -0.06 0.24 -1.23 0.00 0.00 177.57 177.22 2ksy h MET 54 N 0.13 0.29 -0.48 5.19 2.07 -1.20 -1.92 114.93 119.02 2ksy h MET 54 Ca -0.03 -0.06 -0.07 0.00 -2.07 0.00 0.00 59.70 57.47 2ksy h MET 54 Cb 1.13 -0.05 -0.02 0.00 -1.87 0.00 0.00 31.60 30.80 2ksy h MET 54 CO 0.10 0.37 -0.00 0.00 1.07 0.00 0.00 176.91 178.45 2ksy h ALA 55 N 1.66 1.10 0.00 6.32 0.00 -1.33 -1.93 119.26 125.08 2ksy h ALA 55 Ca 0.06 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2ksy h ALA 55 Cb 0.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ksy h ALA 55 CO 0.01 0.57 0.00 1.28 0.00 0.00 0.00 179.25 181.12 2ksy n LEU 56 N -4.21 0.49 -1.11 0.00 4.77 -0.77 -4.74 117.00 111.43 2ksy n LEU 56 Ca 0.02 0.57 -0.09 0.00 -0.03 0.00 0.00 56.01 56.48 2ksy n LEU 56 Cb 0.30 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2ksy n LEU 56 CO 0.42 -0.23 -0.09 0.61 -1.33 0.00 0.00 177.39 176.77 2ksy n GLY 57 N 0.90 0.04 0.50 -0.72 0.00 -0.73 -4.90 105.19 100.28 2ksy n GLY 57 Ca 0.05 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.58 2ksy n GLY 57 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2ksy n VAL 58 N -3.96 0.00 -1.98 1.61 0.24 -1.14 -3.27 118.33 109.84 2ksy n VAL 58 Ca -0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.21 2ksy n VAL 58 Cb 0.57 -0.50 0.00 0.00 -1.47 0.00 0.00 33.84 32.45 2ksy n VAL 58 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ksy n GLY 59 N 0.00 0.90 3.58 7.63 0.00 -1.26 -5.00 105.19 111.04 2ksy n GLY 59 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 0.00 2.71 -0.26 1.61 0.52 -1.20 -2.33 118.94 119.99 2ksy s TRP 60 Ca 0.00 0.45 -0.07 0.00 0.02 0.00 0.00 56.10 56.50 2ksy s TRP 60 Cb 0.00 -4.41 -0.02 0.00 -1.15 0.00 0.00 33.47 27.89 2ksy s TRP 60 CO 0.00 -1.43 0.07 0.54 0.02 0.00 0.00 176.95 176.15 2ksy s VAL 61 N 4.61 4.27 0.20 4.03 0.11 -0.53 -5.00 120.40 128.10 2ksy s VAL 61 Ca 0.43 -0.24 -0.30 0.00 -2.93 0.00 0.00 61.98 58.94 2ksy s VAL 61 Cb -0.08 -3.02 -0.09 0.00 -1.53 0.00 0.00 36.38 31.65 2ksy s VAL 61 CO 0.27 0.31 1.39 -2.84 -3.33 0.00 0.00 175.10 170.89 2ksy s PRO 62 N 1.60 4.32 -0.30 1.54 0.02 -1.26 -1.43 135.00 139.49 2ksy s PRO 62 Ca 0.06 2.17 -0.01 0.00 0.02 0.00 0.00 61.00 63.24 2ksy s PRO 62 Cb -0.15 -3.17 0.10 0.00 0.02 0.00 0.00 34.50 31.30 2ksy s PRO 62 CO 0.03 -0.36 0.10 0.08 -0.33 0.00 0.00 177.00 176.52 2ksy s VAL 63 N 0.27 0.81 0.00 3.83 1.01 0.07 -4.88 120.40 121.50 2ksy s VAL 63 Ca 0.60 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 61.25 2ksy s VAL 63 Cb -0.39 -1.60 0.00 0.00 0.00 0.00 0.00 36.38 34.39 2ksy s VAL 63 CO 0.39 -0.65 0.00 0.00 0.00 0.00 0.00 175.10 174.83 2ksy n ALA 64 N 4.88 0.00 0.00 5.51 0.00 -1.26 -0.88 120.51 128.76 2ksy n ALA 64 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.41 2ksy n ALA 64 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.87 2ksy n ALA 64 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ksy n GLU 65 N 0.00 2.75 -4.20 0.00 1.02 -1.26 -5.04 120.64 113.92 2ksy n GLU 65 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 57.16 56.79 2ksy n GLU 65 Cb 0.00 -0.94 -0.08 0.00 -0.02 0.00 0.00 31.44 30.40 2ksy n GLU 65 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2ksy s ARG 66 N -1.85 3.12 -0.37 3.49 3.00 -0.06 -5.08 118.95 121.20 2ksy s ARG 66 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 55.73 55.24 2ksy s ARG 66 Cb 0.00 -2.91 0.00 0.00 0.00 0.00 0.00 34.95 32.04 2ksy s ARG 66 CO 0.00 0.72 0.34 0.99 0.00 0.00 0.00 175.30 177.35 2ksy s THR 67 N -0.96 5.19 0.28 0.02 2.01 -1.26 -0.75 115.64 120.16 2ksy s THR 67 Ca 0.15 -0.22 -0.18 0.00 0.31 0.00 0.00 61.69 61.74 2ksy s THR 67 Cb -0.12 -3.87 -0.09 0.00 0.01 0.00 0.00 72.50 68.44 2ksy s THR 67 CO 0.04 -0.19 0.75 -0.69 -0.69 0.00 0.00 174.62 173.85 2ksy s VAL 68 N 1.92 4.58 -0.29 3.82 1.01 -0.52 -4.88 120.40 126.04 2ksy s VAL 68 Ca 0.09 1.20 -0.07 0.00 0.00 0.00 0.00 61.98 63.21 2ksy s VAL 68 Cb -0.17 -3.76 0.01 0.00 0.00 0.00 0.00 36.38 32.45 2ksy s VAL 68 CO 0.12 0.03 0.07 -0.36 0.00 0.00 0.00 175.10 174.96 2ksy s PHE 69 N -1.74 3.14 -0.00 5.22 0.08 -1.26 -1.45 117.98 121.97 2ksy s PHE 69 Ca 0.49 -0.97 -0.25 0.00 0.12 0.00 0.00 56.93 56.32 2ksy s PHE 69 Cb -0.14 -2.24 -0.19 0.00 -0.57 0.00 0.00 43.02 39.88 2ksy s PHE 69 CO 0.19 -0.57 1.32 0.28 -0.10 0.00 0.00 175.22 176.35 2ksy h VAL 70 N 5.86 1.35 0.00 -0.44 2.07 -1.85 -3.08 116.25 120.15 2ksy h VAL 70 Ca -0.32 -1.07 0.00 0.00 0.82 0.00 0.00 66.70 66.13 2ksy h VAL 70 Cb 1.13 2.01 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2ksy h VAL 70 CO 0.60 0.29 0.00 -0.65 0.02 0.00 0.00 177.57 177.83 2ksy h PRO 71 N -0.36 0.00 0.21 1.57 0.11 -1.95 -2.34 132.00 129.24 2ksy h PRO 71 Ca 0.01 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.11 2ksy h PRO 71 Cb 0.47 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.59 2ksy h PRO 71 CO 0.01 0.00 -0.10 -0.09 -0.21 0.00 0.00 178.00 177.61 2ksy h ARG 72 N 0.00 -0.27 -0.07 1.05 2.43 -1.91 -0.50 114.38 115.12 2ksy h ARG 72 Ca 0.00 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.08 2ksy h ARG 72 Cb 0.09 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2ksy h ARG 72 CO 0.00 0.12 -0.47 1.88 -1.51 0.00 0.00 179.97 179.99 2ksy h TYR 73 N -0.84 0.19 -0.34 2.20 0.05 -1.56 -2.65 116.97 114.02 2ksy h TYR 73 Ca -0.03 -0.06 -0.15 0.00 0.05 0.00 0.00 58.73 58.54 2ksy h TYR 73 Cb 0.51 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.21 2ksy h TYR 73 CO 0.07 0.60 -0.40 0.97 -1.05 0.00 0.00 178.16 178.35 2ksy h ILE 74 N 0.13 1.28 -0.79 -2.88 -0.00 -1.49 -2.16 117.51 111.61 2ksy h ILE 74 Ca 0.01 -1.57 0.03 0.00 -0.00 0.00 0.00 64.86 63.32 2ksy h ILE 74 Cb 0.88 1.44 -0.04 0.00 -0.00 0.00 0.00 36.82 39.10 2ksy h ILE 74 CO 0.07 0.52 0.52 -0.78 -0.00 0.00 0.00 178.15 178.47 2ksy h ASP 75 N 0.66 0.85 0.18 2.19 3.58 -0.82 -0.06 116.42 123.00 2ksy h ASP 75 Ca 0.05 -0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.40 2ksy h ASP 75 Cb 0.96 -0.20 -0.01 0.00 1.72 0.00 0.00 39.33 41.80 2ksy h ASP 75 CO 0.09 0.59 -0.35 -0.50 -2.88 0.00 0.00 179.24 176.20 2ksy h TRP 76 N 0.99 0.29 0.00 0.28 6.55 -1.16 -0.27 115.95 122.63 2ksy h TRP 76 Ca 0.31 -0.07 -0.06 0.00 0.95 0.00 0.00 58.89 60.02 2ksy h TRP 76 Cb 0.01 -0.07 -0.01 0.00 -0.86 0.00 0.00 29.16 28.23 2ksy h TRP 76 CO -0.00 0.57 -0.31 0.82 -1.05 0.00 0.00 178.44 178.47 2ksy h ILE 77 N 0.22 1.16 0.00 1.49 2.04 -0.38 0.25 117.51 122.29 2ksy h ILE 77 Ca 0.03 -1.08 0.00 0.00 1.00 0.00 0.00 64.86 64.81 2ksy h ILE 77 Cb 0.72 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.39 2ksy h ILE 77 CO 0.05 0.30 -1.16 0.18 0.00 0.00 0.00 178.15 177.53 2ksy n LEU 78 N -4.08 0.72 -0.12 1.44 4.77 -0.80 -4.41 117.00 114.51 2ksy n LEU 78 Ca -0.02 0.28 -0.23 0.00 -0.03 0.00 0.00 56.01 56.01 2ksy n LEU 78 Cb 0.36 -0.05 -0.08 0.00 -2.33 0.00 0.00 43.42 41.32 2ksy n LEU 78 CO 0.37 -0.16 -1.20 0.35 -1.33 0.00 0.00 177.39 175.42 2ksy n THR 79 N -2.61 1.45 -0.18 -5.08 -2.24 -0.16 -4.36 114.28 101.11 2ksy n THR 79 Ca -0.01 -0.23 -0.06 0.00 -2.27 0.00 0.00 64.05 61.49 2ksy n THR 79 Cb 0.55 -1.98 0.00 0.00 -2.10 0.00 0.00 70.33 66.81 2ksy n THR 79 CO 0.00 0.00 0.00 0.74 -0.57 0.00 0.00 175.07 175.24 2ksy h THR 80 N -0.94 0.21 0.00 4.28 2.02 -0.73 0.29 112.91 118.04 2ksy h THR 80 Ca -0.49 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.68 2ksy h THR 80 Cb 1.42 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.03 2ksy h THR 80 CO -0.30 0.00 -0.02 1.55 0.37 0.00 0.00 175.52 177.12 2ksy h PRO 81 N -0.18 0.00 0.02 6.66 0.13 -1.77 -1.03 132.00 135.84 2ksy h PRO 81 Ca 0.22 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.14 2ksy h PRO 81 Cb 0.54 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 2ksy h PRO 81 CO -0.63 0.02 -0.95 1.25 -0.23 0.00 0.00 178.00 177.46 2ksy h LEU 82 N 0.00 0.30 0.18 1.56 5.85 -0.67 -1.98 115.31 120.54 2ksy h LEU 82 Ca -0.00 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 2ksy h LEU 82 Cb 0.13 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2ksy h LEU 82 CO 0.00 1.09 -0.08 0.40 -0.34 0.00 0.00 178.44 179.51 2ksy h ILE 83 N 0.11 0.93 -0.20 4.05 1.08 0.07 -1.88 117.51 121.67 2ksy h ILE 83 Ca -0.06 -0.88 0.00 0.00 -0.39 0.00 0.00 64.86 63.53 2ksy h ILE 83 Cb 1.60 1.43 -0.01 0.00 -3.07 0.00 0.00 36.82 36.78 2ksy h ILE 83 CO 0.15 0.19 0.12 -0.37 -0.69 0.00 0.00 178.15 177.55 2ksy h VAL 84 N -0.70 1.06 -0.28 1.67 -1.51 -1.54 0.34 116.25 115.28 2ksy h VAL 84 Ca -0.02 -0.11 -0.06 0.00 -1.23 0.00 0.00 66.70 65.27 2ksy h VAL 84 Cb 0.49 0.77 -0.02 0.00 -2.13 0.00 0.00 31.29 30.41 2ksy h VAL 84 CO 0.04 0.06 -0.10 0.22 -1.23 0.00 0.00 177.57 176.55 2ksy h TYR 85 N 0.27 0.49 0.10 5.19 3.20 -1.24 -1.41 116.97 123.57 2ksy h TYR 85 Ca 0.07 -0.07 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 2ksy h TYR 85 Cb -0.02 -0.14 0.00 0.00 1.54 0.00 0.00 36.73 38.12 2ksy h TYR 85 CO 0.00 0.56 -0.05 0.35 -1.64 0.00 0.00 178.16 177.38 2ksy h PHE 86 N 0.43 -0.12 -0.55 -3.82 3.04 -0.08 -1.43 116.94 114.41 2ksy h PHE 86 Ca 0.08 -0.00 -0.02 0.00 3.98 0.00 0.00 57.97 62.02 2ksy h PHE 86 Cb 0.45 0.04 -0.03 0.00 2.56 0.00 0.00 35.95 38.97 2ksy h PHE 86 CO 0.01 0.04 0.28 -0.07 -2.02 0.00 0.00 178.31 176.55 2ksy h LEU 87 N -0.26 0.69 -1.51 0.59 4.07 -1.29 -1.29 115.31 116.31 2ksy h LEU 87 Ca -0.01 -0.06 -0.05 0.00 0.08 0.00 0.00 57.88 57.83 2ksy h LEU 87 Cb 0.22 -0.17 -0.01 0.00 1.08 0.00 0.00 40.66 41.77 2ksy h LEU 87 CO 0.02 0.58 -0.25 1.23 -1.08 0.00 0.00 178.44 178.94 2ksy h GLY 88 N 0.86 0.00 1.10 0.83 0.00 -0.96 -2.77 103.07 102.14 2ksy h GLY 88 Ca 0.19 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 88 CO -0.03 0.00 -0.64 1.41 0.00 0.00 0.00 176.54 177.28 2ksy h LEU 89 N 0.00 0.88 -0.31 3.11 3.38 -0.14 -0.80 115.31 121.43 2ksy h LEU 89 Ca -0.00 -0.60 0.02 0.00 0.09 0.00 0.00 57.88 57.39 2ksy h LEU 89 Cb 0.51 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.98 2ksy h LEU 89 CO 0.03 1.33 0.15 -0.07 0.09 0.00 0.00 178.44 179.97 2ksy h LEU 90 N 0.49 0.22 0.10 1.67 3.38 -1.18 -3.24 115.31 116.75 2ksy h LEU 90 Ca -0.03 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2ksy h LEU 90 Cb 1.27 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.00 2ksy h LEU 90 CO 0.14 0.16 -0.05 0.00 0.09 0.00 0.00 178.44 178.78 2ksy h ALA 91 N 1.16 -0.14 0.00 1.53 0.00 -1.57 -3.45 119.26 116.79 2ksy h ALA 91 Ca 0.13 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 91 Cb 0.05 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.89 2ksy h ALA 91 CO -0.09 -0.19 0.00 0.41 0.00 0.00 0.00 179.25 179.37 2ksy n GLY 92 N 1.00 0.75 3.95 0.00 0.00 -0.32 -4.47 105.19 106.09 2ksy n GLY 92 Ca -0.07 -0.73 -0.25 0.00 0.00 0.00 0.00 46.02 44.98 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 2.92 0.53 0.99 1.02 -1.15 -5.08 118.68 117.91 2ksy s LEU 93 Ca 0.00 0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.37 2ksy s LEU 93 Cb 0.00 -2.84 0.01 0.00 0.02 0.00 0.00 46.19 43.38 2ksy s LEU 93 CO 0.00 -1.63 0.78 -1.81 0.02 0.00 0.00 176.35 173.70 2ksy s ASP 94 N -4.56 5.56 0.45 2.29 1.11 -1.26 -4.90 116.67 115.37 2ksy s ASP 94 Ca 0.61 0.33 0.17 0.00 0.18 0.00 0.00 52.55 53.84 2ksy s ASP 94 Cb -0.09 -1.39 1.11 0.00 1.07 0.00 0.00 42.92 43.62 2ksy s ASP 94 CO 0.44 -0.96 1.97 0.28 1.18 0.00 0.00 175.17 178.08 2ksy h SER 95 N 0.10 0.29 -0.05 0.27 0.02 -1.99 -0.98 113.55 111.21 2ksy h SER 95 Ca -0.45 0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.47 2ksy h SER 95 Cb 1.27 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2ksy h SER 95 CO 0.57 0.17 -0.11 0.08 -1.14 0.00 0.00 176.83 176.40 2ksy h ARG 96 N 0.32 0.17 -0.54 3.45 0.11 -1.99 -2.54 114.38 113.37 2ksy h ARG 96 Ca 0.29 -0.11 0.03 0.00 0.10 0.00 0.00 59.98 60.29 2ksy h ARG 96 Cb 0.71 0.01 -0.04 0.00 1.11 0.00 0.00 29.97 31.76 2ksy h ARG 96 CO -0.07 0.70 0.31 0.93 0.10 0.00 0.00 179.97 181.94 2ksy h GLU 97 N -0.33 0.59 -0.16 0.08 5.08 -1.72 -2.24 114.58 115.87 2ksy h GLU 97 Ca 0.00 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.34 2ksy h GLU 97 Cb 0.70 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2ksy h GLU 97 CO 0.02 0.39 0.07 0.74 -1.00 0.00 0.00 179.01 179.23 2ksy h PHE 98 N 0.61 0.12 -0.47 4.33 0.04 -1.26 -2.04 116.94 118.27 2ksy h PHE 98 Ca 0.22 0.01 0.12 0.00 2.80 0.00 0.00 57.97 61.12 2ksy h PHE 98 Cb 0.06 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.16 2ksy h PHE 98 CO -0.07 0.07 0.33 0.78 -0.60 0.00 0.00 178.31 178.82 2ksy h GLY 99 N 0.15 0.17 0.84 -1.45 0.00 -1.05 -0.90 103.07 100.84 2ksy h GLY 99 Ca 0.06 -0.05 -0.11 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 99 CO -0.05 0.03 -0.33 -2.22 0.00 0.00 0.00 176.54 173.97 2ksy h ILE 100 N 0.12 1.35 0.06 2.60 2.04 -0.80 -2.35 117.51 120.53 2ksy h ILE 100 Ca 0.22 -1.58 -0.00 0.00 1.00 0.00 0.00 64.86 64.50 2ksy h ILE 100 Cb 0.73 1.97 0.00 0.00 -0.74 0.00 0.00 36.82 38.78 2ksy h ILE 100 CO -0.03 0.48 -0.03 0.58 0.00 0.00 0.00 178.15 179.15 2ksy h VAL 101 N 0.14 1.18 -0.03 1.67 2.07 -0.89 -2.36 116.25 118.03 2ksy h VAL 101 Ca 0.00 -0.90 0.01 0.00 0.82 0.00 0.00 66.70 66.63 2ksy h VAL 101 Cb 0.92 1.76 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 2ksy h VAL 101 CO 0.07 0.22 -0.01 0.40 0.02 0.00 0.00 177.57 178.28 2ksy h ILE 102 N -0.49 0.97 -0.64 4.57 1.08 -1.31 -1.86 117.51 119.83 2ksy h ILE 102 Ca -0.01 -0.00 0.02 0.00 -0.39 0.00 0.00 64.86 64.48 2ksy h ILE 102 Cb 0.43 0.97 -0.03 0.00 -3.07 0.00 0.00 36.82 35.11 2ksy h ILE 102 CO 0.01 0.00 0.42 0.00 -0.69 0.00 0.00 178.15 177.90 2ksy h THR 103 N 0.00 1.12 -0.45 -0.27 1.03 -1.50 -1.87 112.91 110.97 2ksy h THR 103 Ca 0.02 -0.28 -0.02 0.00 -0.01 0.00 0.00 66.41 66.11 2ksy h THR 103 Cb 0.02 0.24 -0.02 0.00 -1.07 0.00 0.00 68.15 67.32 2ksy h THR 103 CO -0.03 0.15 0.19 0.25 -0.01 0.00 0.00 175.52 176.07 2ksy h LEU 104 N 0.81 0.62 -1.92 0.00 5.85 -0.95 -1.98 115.31 117.73 2ksy h LEU 104 Ca 0.25 -0.16 -0.02 0.00 0.84 0.00 0.00 57.88 58.78 2ksy h LEU 104 Cb -0.00 -0.16 -0.00 0.00 0.37 0.00 0.00 40.66 40.86 2ksy h LEU 104 CO -0.06 0.61 -0.12 0.78 -0.34 0.00 0.00 178.44 179.31 2ksy h ASN 105 N 0.59 0.00 0.30 1.25 -0.26 -0.59 -1.96 115.58 114.92 2ksy h ASN 105 Ca 0.15 0.00 -0.01 0.00 -0.56 0.00 0.00 56.30 55.88 2ksy h ASN 105 Cb 0.18 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.44 2ksy h ASN 105 CO -0.01 0.12 -0.14 0.74 -1.06 0.00 0.00 177.43 177.07 2ksy h THR 106 N 0.00 0.70 -0.52 2.81 2.02 -0.67 -0.62 112.91 116.63 2ksy h THR 106 Ca -0.00 -0.62 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 2ksy h THR 106 Cb 0.27 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 2ksy h THR 106 CO 0.02 0.12 0.12 1.62 0.37 0.00 0.00 175.52 177.77 2ksy h VAL 107 N -0.76 1.22 -0.29 3.16 3.04 -1.32 -1.00 116.25 120.30 2ksy h VAL 107 Ca -0.04 -0.79 -0.04 0.00 -1.01 0.00 0.00 66.70 64.82 2ksy h VAL 107 Cb 0.50 0.69 -0.01 0.00 -2.01 0.00 0.00 31.29 30.46 2ksy h VAL 107 CO 0.07 0.29 0.02 0.58 -1.01 0.00 0.00 177.57 177.52 2ksy h VAL 108 N 0.76 1.25 -0.63 1.51 2.07 -1.36 -1.33 116.25 118.51 2ksy h VAL 108 Ca 0.17 -0.87 -0.08 0.00 0.82 0.00 0.00 66.70 66.74 2ksy h VAL 108 Cb 0.28 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 2ksy h VAL 108 CO -0.00 0.28 0.09 -0.03 0.02 0.00 0.00 177.57 177.92 2ksy h MET 109 N 0.30 1.04 -0.04 1.57 4.05 -0.87 -2.33 114.93 118.65 2ksy h MET 109 Ca 0.09 -0.28 -0.08 0.00 -0.28 0.00 0.00 59.70 59.15 2ksy h MET 109 Cb 0.39 -0.12 -0.01 0.00 -0.80 0.00 0.00 31.60 31.05 2ksy h MET 109 CO 0.01 0.97 -0.33 1.25 0.23 0.00 0.00 176.91 179.04 2ksy h LEU 110 N 0.98 0.08 0.21 3.39 5.85 -1.08 -0.42 115.31 124.31 2ksy h LEU 110 Ca 0.19 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 2ksy h LEU 110 Cb 0.44 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.45 2ksy h LEU 110 CO 0.01 0.41 -0.10 0.00 -0.34 0.00 0.00 178.44 178.42 2ksy h ALA 111 N 1.60 -0.28 -0.13 1.25 0.00 -0.70 -2.55 119.26 118.44 2ksy h ALA 111 Ca 0.01 -0.11 -0.09 0.00 0.00 0.00 0.00 54.91 54.72 2ksy h ALA 111 Cb 0.62 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 2ksy h ALA 111 CO 0.05 -0.60 -0.32 0.78 0.00 0.00 0.00 179.25 179.16 2ksy h GLY 112 N -0.41 0.29 0.00 0.00 0.00 -1.34 -0.47 103.07 101.14 2ksy h GLY 112 Ca -0.03 -0.24 0.00 0.00 0.00 0.00 0.00 47.33 47.06 2ksy h GLY 112 CO 0.05 0.22 0.00 0.33 0.00 0.00 0.00 176.54 177.14 2ksy n PHE 113 N -4.10 0.00 0.32 5.60 -0.00 -0.18 -2.17 117.46 116.93 2ksy n PHE 113 Ca -0.01 0.00 0.20 0.00 -0.00 0.00 0.00 57.45 57.64 2ksy n PHE 113 Cb 0.42 -0.21 1.09 0.00 -0.00 0.00 0.00 39.48 40.78 2ksy n PHE 113 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 2ksy h ALA 114 N -1.85 1.13 -0.31 3.13 0.00 -1.55 -2.79 119.26 117.02 2ksy h ALA 114 Ca 0.00 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 114 Cb 0.00 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 2ksy h ALA 114 CO 0.00 0.01 -0.14 0.78 0.00 0.00 0.00 179.25 179.90 2ksy h GLY 115 N 0.20 0.12 2.00 0.00 0.00 -0.56 0.17 103.07 105.00 2ksy h GLY 115 Ca -0.00 0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.50 2ksy h GLY 115 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 176.54 176.38 2ksy h ALA 116 N 1.17 1.00 -0.00 3.60 0.00 -1.19 -3.06 119.26 120.77 2ksy h ALA 116 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 2ksy h ALA 116 Cb 0.32 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.11 2ksy h ALA 116 CO -0.37 0.00 -0.22 -0.12 0.00 0.00 0.00 179.25 178.54 2ksy n MET 117 N -2.41 0.61 -1.72 0.00 0.00 0.04 -4.86 117.12 108.78 2ksy n MET 117 Ca 0.05 -0.29 -0.39 0.00 0.00 0.00 0.00 57.70 57.07 2ksy n MET 117 Cb 0.41 -1.49 0.04 0.00 0.00 0.00 0.00 33.22 32.18 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 -0.94 3.80 1.21 1.12 0.24 0.37 -4.92 118.33 119.21 2ksy n VAL 118 Ca 0.12 -0.50 0.13 0.00 -2.04 0.00 0.00 64.34 62.04 2ksy n VAL 118 Cb 0.32 -1.57 0.35 0.00 -1.47 0.00 0.00 33.84 31.47 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 -0.99 0.78 0.00 7.34 -0.04 -1.26 -4.95 135.00 135.88 2ksy n PRO 119 Ca 0.11 -0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.10 2ksy n PRO 119 Cb 0.45 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.42 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 1.36 4.34 1.40 0.55 0.00 -1.26 -5.02 105.19 106.56 2ksy n GLY 120 Ca 0.11 -0.48 0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 1.22 0.33 -0.61 -5.35 -1.26 -4.38 119.36 109.32 2ksy n ILE 121 Ca 0.00 -1.02 0.21 0.00 -0.27 0.00 0.00 62.75 61.67 2ksy n ILE 121 Cb 0.00 0.36 1.14 0.00 -1.74 0.00 0.00 39.64 39.40 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 4.14 0.00 -0.88 6.28 4.39 -1.94 -2.34 114.58 124.23 2ksy h GLU 122 Ca 0.00 0.00 0.20 0.00 0.34 0.00 0.00 59.36 59.90 2ksy h GLU 122 Cb 1.11 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.70 2ksy h GLU 122 CO 0.07 0.00 0.59 0.07 -1.16 0.00 0.00 179.01 178.58 2ksy h ARG 123 N 0.00 0.36 -0.09 2.33 0.11 -1.76 0.13 114.38 115.46 2ksy h ARG 123 Ca -0.00 -0.02 -0.11 0.00 0.10 0.00 0.00 59.98 59.95 2ksy h ARG 123 Cb 0.03 -0.08 -0.01 0.00 1.11 0.00 0.00 29.97 31.01 2ksy h ARG 123 CO 0.00 0.24 -0.43 1.88 0.10 0.00 0.00 179.97 181.76 2ksy h TYR 124 N 0.37 0.24 0.24 4.08 0.05 -1.76 -1.59 116.97 118.60 2ksy h TYR 124 Ca 0.45 -0.07 -0.01 0.00 0.05 0.00 0.00 58.73 59.16 2ksy h TYR 124 Cb 1.17 -0.05 0.00 0.00 1.01 0.00 0.00 36.73 38.86 2ksy h TYR 124 CO -0.00 0.60 -0.11 0.00 -1.05 0.00 0.00 178.16 177.60 2ksy h ALA 125 N 1.39 -0.32 -0.17 3.88 0.00 -0.93 0.89 119.26 123.99 2ksy h ALA 125 Ca 0.01 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.77 2ksy h ALA 125 Cb 0.83 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.72 2ksy h ALA 125 CO 0.06 -0.36 -0.01 -0.07 0.00 0.00 0.00 179.25 178.88 2ksy h LEU 126 N -0.96 -0.08 -0.80 0.00 4.07 -1.48 -2.25 115.31 113.81 2ksy h LEU 126 Ca -0.03 0.04 -0.09 0.00 0.08 0.00 0.00 57.88 57.87 2ksy h LEU 126 Cb 0.47 0.07 -0.02 0.00 1.08 0.00 0.00 40.66 42.26 2ksy h LEU 126 CO 0.05 -0.02 -0.10 0.15 -1.08 0.00 0.00 178.44 177.44 2ksy h PHE 127 N 0.05 0.88 -0.78 1.13 3.57 -1.40 -2.42 116.94 117.96 2ksy h PHE 127 Ca 0.08 -0.16 0.18 0.00 3.53 0.00 0.00 57.97 61.60 2ksy h PHE 127 Cb 0.10 -0.23 -0.13 0.00 2.79 0.00 0.00 35.95 38.49 2ksy h PHE 127 CO -0.17 0.86 0.12 0.78 -2.23 0.00 0.00 178.31 177.67 2ksy h GLY 128 N 0.97 1.02 1.50 2.40 0.00 -0.21 0.67 103.07 109.42 2ksy h GLY 128 Ca 0.12 0.03 -0.14 0.00 0.00 0.00 0.00 47.33 47.34 2ksy h GLY 128 CO 0.04 -0.28 -0.46 1.98 0.00 0.00 0.00 176.54 177.82 2ksy h MET 129 N 0.18 0.54 0.00 4.80 1.85 -1.27 -2.89 114.93 118.14 2ksy h MET 129 Ca 0.44 -0.30 -0.07 0.00 -0.61 0.00 0.00 59.70 59.17 2ksy h MET 129 Cb 0.81 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.85 2ksy h MET 129 CO -0.61 0.89 -0.33 0.78 -0.40 0.00 0.00 176.91 177.24 2ksy h GLY 130 N 1.08 0.00 0.28 1.39 0.00 0.38 -0.50 103.07 105.70 2ksy h GLY 130 Ca 0.03 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 2ksy h GLY 130 CO 0.09 0.00 -0.05 0.00 0.00 0.00 0.00 176.54 176.58 2ksy h ALA 131 N 1.67 -0.14 -0.76 3.60 0.00 0.21 0.13 119.26 123.96 2ksy h ALA 131 Ca -0.00 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 131 Cb 0.66 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.45 2ksy h ALA 131 CO 0.04 -0.22 0.48 0.28 0.00 0.00 0.00 179.25 179.83 2ksy h VAL 132 N -0.86 1.08 -0.39 0.00 2.07 -1.51 -0.85 116.25 115.79 2ksy h VAL 132 Ca -0.01 -0.31 -0.06 0.00 0.82 0.00 0.00 66.70 67.14 2ksy h VAL 132 Cb 0.56 0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 30.41 2ksy h VAL 132 CO 0.02 0.17 0.01 0.00 0.02 0.00 0.00 177.57 177.79 2ksy h ALA 133 N 1.34 1.29 -0.11 1.67 0.00 -1.13 -2.65 119.26 119.67 2ksy h ALA 133 Ca 0.31 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.03 2ksy h ALA 133 Cb 0.06 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 2ksy h ALA 133 CO -0.13 0.48 -0.07 0.35 0.00 0.00 0.00 179.25 179.88 2ksy h PHE 134 N 0.58 -0.17 -0.49 0.00 3.57 0.69 -0.51 116.94 120.61 2ksy h PHE 134 Ca 0.12 0.01 0.07 0.00 3.53 0.00 0.00 57.97 61.71 2ksy h PHE 134 Cb 0.36 0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 2ksy h PHE 134 CO 0.01 -0.11 0.33 0.82 -2.23 0.00 0.00 178.31 177.13 2ksy h ILE 135 N -0.08 0.94 -0.82 1.41 2.04 -1.15 -0.32 117.51 119.53 2ksy h ILE 135 Ca 0.07 -0.13 -0.03 0.00 1.00 0.00 0.00 64.86 65.77 2ksy h ILE 135 Cb 0.17 0.53 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2ksy h ILE 135 CO -0.15 0.07 0.41 1.23 0.00 0.00 0.00 178.15 179.71 2ksy h GLY 136 N 0.38 1.25 0.56 5.37 0.00 -0.78 0.35 103.07 110.20 2ksy h GLY 136 Ca 0.22 -0.60 -0.00 0.00 0.00 0.00 0.00 47.33 46.94 2ksy h GLY 136 CO -0.05 0.58 -0.00 -2.00 0.00 0.00 0.00 176.54 175.06 2ksy h LEU 137 N 1.16 0.01 -1.86 3.11 5.85 -0.35 -2.64 115.31 120.58 2ksy h LEU 137 Ca 0.28 -0.45 0.05 0.00 0.84 0.00 0.00 57.88 58.61 2ksy h LEU 137 Cb 0.09 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 2ksy h LEU 137 CO -0.04 0.45 0.20 -0.37 -0.34 0.00 0.00 178.44 178.35 2ksy h VAL 138 N -0.43 0.94 -0.66 1.05 -1.51 -1.19 0.43 116.25 114.88 2ksy h VAL 138 Ca 0.00 -0.06 0.00 0.00 -1.23 0.00 0.00 66.70 65.41 2ksy h VAL 138 Cb 0.45 0.75 -0.03 0.00 -2.13 0.00 0.00 31.29 30.33 2ksy h VAL 138 CO 0.00 0.03 0.42 0.22 -1.23 0.00 0.00 177.57 177.01 2ksy h TYR 139 N 0.17 0.86 -0.21 5.19 3.20 -0.71 -1.48 116.97 124.00 2ksy h TYR 139 Ca 0.13 0.01 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2ksy h TYR 139 Cb 0.30 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.27 2ksy h TYR 139 CO -0.00 0.56 -0.08 1.88 -1.64 0.00 0.00 178.16 178.88 2ksy h TYR 140 N 0.90 0.33 -0.35 -3.82 0.05 -0.58 0.43 116.97 113.94 2ksy h TYR 140 Ca 0.24 -0.03 0.03 0.00 0.05 0.00 0.00 58.73 59.02 2ksy h TYR 140 Cb -0.06 -0.10 -0.03 0.00 1.01 0.00 0.00 36.73 37.55 2ksy h TYR 140 CO -0.02 0.41 0.15 -0.07 -1.05 0.00 0.00 178.16 177.57 2ksy h LEU 141 N 0.31 0.19 -1.61 3.88 3.38 -0.63 -2.10 115.31 118.73 2ksy h LEU 141 Ca 0.06 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2ksy h LEU 141 Cb 0.34 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2ksy h LEU 141 CO 0.02 0.15 0.00 0.55 0.09 0.00 0.00 178.44 179.25 2ksy n VAL 142 N -4.98 0.10 0.00 1.22 3.14 -1.06 -4.05 118.33 112.70 2ksy n VAL 142 Ca 0.01 -0.45 0.00 0.00 -2.96 0.00 0.00 64.34 60.94 2ksy n VAL 142 Cb 0.10 1.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.88 2ksy n VAL 142 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ksy n GLY 143 N 1.30 -0.04 0.32 7.55 0.00 0.15 -4.59 105.19 109.88 2ksy n GLY 143 Ca 0.17 -1.24 0.17 0.00 0.00 0.00 0.00 46.02 45.12 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 -0.44 1.61 0.13 -1.86 -1.99 132.00 129.46 2ksy h PRO 144 Ca 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 66.00 65.18 2ksy h PRO 144 Cb 0.00 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.11 2ksy h PRO 144 CO 0.00 0.00 0.30 0.52 -0.23 0.00 0.00 178.00 178.59 2ksy h MET 145 N 0.00 0.38 0.06 0.86 2.86 -1.83 -0.44 114.93 116.81 2ksy h MET 145 Ca 0.02 -0.02 -0.25 0.00 -2.06 0.00 0.00 59.70 57.39 2ksy h MET 145 Cb 0.15 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 2ksy h MET 145 CO -0.00 0.25 -1.17 1.15 1.06 0.00 0.00 176.91 178.20 2ksy h THR 146 N 0.39 1.55 -0.20 2.22 2.02 -1.50 -2.70 112.91 114.69 2ksy h THR 146 Ca 0.19 -3.20 -0.15 0.00 0.77 0.00 0.00 66.41 64.01 2ksy h THR 146 Cb 0.26 2.86 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2ksy h THR 146 CO -0.05 0.91 -0.46 -0.08 0.37 0.00 0.00 175.52 176.21 2ksy h GLU 147 N 0.03 0.67 -0.11 6.66 4.81 -1.40 -2.03 114.58 123.22 2ksy h GLU 147 Ca -0.09 -0.45 -0.06 0.00 -0.13 0.00 0.00 59.36 58.63 2ksy h GLU 147 Cb 1.88 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.32 2ksy h GLU 147 CO 0.16 1.07 -0.15 0.77 -0.73 0.00 0.00 179.01 180.13 2ksy h SER 148 N 0.36 0.31 -0.71 1.04 0.02 -1.21 -3.19 113.55 110.18 2ksy h SER 148 Ca -0.00 -0.52 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 2ksy h SER 148 Cb 1.07 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2ksy h SER 148 CO 0.10 0.77 0.30 0.00 -1.14 0.00 0.00 176.83 176.86 2ksy h ALA 149 N 0.55 0.92 0.00 3.77 0.00 -1.56 -0.85 119.26 122.09 2ksy h ALA 149 Ca 0.01 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2ksy h ALA 149 Cb 0.70 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2ksy h ALA 149 CO 0.03 0.53 0.00 0.43 0.00 0.00 0.00 179.25 180.24 2ksy n SER 150 N -4.38 0.00 0.00 0.00 7.64 -0.76 -1.93 113.62 114.19 2ksy n SER 150 Ca 0.06 -0.39 0.00 0.00 1.01 0.00 0.00 58.87 59.55 2ksy n SER 150 Cb 0.17 -0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.34 2ksy n SER 150 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2ksy n GLN 151 N -1.03 0.26 -0.04 1.43 6.02 -0.68 -4.80 117.38 118.55 2ksy n GLN 151 Ca 0.10 -0.56 -0.12 0.00 -0.01 0.00 0.00 57.00 56.41 2ksy n GLN 151 Cb 0.05 -0.77 -0.11 0.00 1.02 0.00 0.00 30.24 30.44 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 -0.03 -3.23 -1.09 9.65 -0.49 -3.49 114.38 115.69 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 0.41 0.01 -0.05 0.00 -1.39 0.00 0.00 29.97 28.95 2ksy h ARG 152 CO 0.00 0.69 0.13 0.45 2.80 0.00 0.00 179.97 184.04 2ksy s SER 153 N -5.94 -0.09 0.15 -3.80 0.15 -1.26 -5.02 113.70 97.90 2ksy s SER 153 Ca -0.16 -0.86 -0.12 0.00 0.70 0.00 0.00 55.95 55.51 2ksy s SER 153 Cb -0.01 0.72 -0.00 0.00 -1.71 0.00 0.00 66.02 65.01 2ksy s SER 153 CO 0.61 -1.37 1.55 0.77 1.20 0.00 0.00 173.24 176.00 2ksy h SER 154 N 2.07 0.92 0.31 5.45 4.64 -1.94 -3.20 113.55 121.79 2ksy h SER 154 Ca -0.24 -0.37 -0.26 0.00 -0.47 0.00 0.00 61.79 60.45 2ksy h SER 154 Cb 1.25 -0.25 0.01 0.00 -0.31 0.00 0.00 62.40 63.10 2ksy h SER 154 CO 0.31 1.08 -1.08 1.23 -0.87 0.00 0.00 176.83 177.50 2ksy h GLY 155 N 0.75 0.52 0.34 -0.77 0.00 -1.97 -3.29 103.07 98.66 2ksy h GLY 155 Ca 0.11 -1.02 0.18 0.00 0.00 0.00 0.00 47.33 46.60 2ksy h GLY 155 CO 0.05 0.90 0.60 -2.22 0.00 0.00 0.00 176.54 175.87 2ksy h ILE 156 N 0.23 0.75 0.39 2.60 1.08 -1.85 -1.06 117.51 119.65 2ksy h ILE 156 Ca -0.12 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.12 2ksy h ILE 156 Cb 1.74 0.07 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2ksy h ILE 156 CO 0.19 0.11 -0.19 0.50 -0.69 0.00 0.00 178.15 178.08 2ksy h LYS 157 N 0.63 -0.50 -0.46 2.37 3.64 -1.62 0.14 116.57 120.78 2ksy h LYS 157 Ca 0.49 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.88 2ksy h LYS 157 Cb 0.91 0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 32.83 2ksy h LYS 157 CO -0.24 -0.32 0.17 0.77 -2.27 0.00 0.00 179.45 177.55 2ksy h SER 158 N -0.53 0.64 -0.58 4.20 0.02 -1.54 -0.24 113.55 115.52 2ksy h SER 158 Ca -0.05 -0.18 -0.05 0.00 -0.84 0.00 0.00 61.79 60.66 2ksy h SER 158 Cb 0.41 -0.17 -0.03 0.00 0.14 0.00 0.00 62.40 62.75 2ksy h SER 158 CO 0.09 0.65 0.18 0.25 -1.14 0.00 0.00 176.83 176.85 2ksy h LEU 159 N 0.59 0.88 -0.03 5.07 6.46 -1.15 -2.84 115.31 124.29 2ksy h LEU 159 Ca 0.15 -0.15 -0.08 0.00 -0.12 0.00 0.00 57.88 57.68 2ksy h LEU 159 Cb 0.22 -0.23 0.00 0.00 -0.73 0.00 0.00 40.66 39.92 2ksy h LEU 159 CO -0.01 0.83 -0.28 0.22 -0.62 0.00 0.00 178.44 178.58 2ksy h TYR 160 N 0.91 0.34 -0.63 1.25 5.03 -0.48 -2.69 116.97 120.70 2ksy h TYR 160 Ca 0.20 -0.16 0.07 0.00 2.58 0.00 0.00 58.73 61.41 2ksy h TYR 160 Cb 0.29 -0.05 -0.06 0.00 1.55 0.00 0.00 36.73 38.46 2ksy h TYR 160 CO 0.02 0.92 0.32 -0.39 -1.32 0.00 0.00 178.16 177.71 2ksy h VAL 161 N -0.34 0.92 -0.03 1.81 -1.51 -1.02 0.32 116.25 116.40 2ksy h VAL 161 Ca -0.03 -0.20 -0.01 0.00 -1.23 0.00 0.00 66.70 65.23 2ksy h VAL 161 Cb 0.97 0.28 -0.00 0.00 -2.13 0.00 0.00 31.29 30.41 2ksy h VAL 161 CO 0.06 0.11 -0.01 0.03 -1.23 0.00 0.00 177.57 176.52 2ksy h ARG 162 N 0.59 0.06 0.13 5.19 3.08 -1.60 -2.67 114.38 119.16 2ksy h ARG 162 Ca 0.29 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 2ksy h ARG 162 Cb 0.23 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2ksy h ARG 162 CO -0.21 0.47 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.03 2ksy h LEU 163 N -0.36 -0.15 -0.31 3.04 4.07 -1.25 -2.72 115.31 117.63 2ksy h LEU 163 Ca 0.01 -0.14 0.06 0.00 0.08 0.00 0.00 57.88 57.89 2ksy h LEU 163 Cb 0.46 0.04 -0.06 0.00 1.08 0.00 0.00 40.66 42.17 2ksy h LEU 163 CO 0.00 0.05 -0.10 -0.09 -1.08 0.00 0.00 178.44 177.23 2ksy h ARG 164 N -0.35 -0.03 -0.85 1.13 1.12 -0.47 -1.26 114.38 113.67 2ksy h ARG 164 Ca -0.02 0.00 0.12 0.00 -1.11 0.00 0.00 59.98 58.98 2ksy h ARG 164 Cb 0.28 0.01 -0.08 0.00 -0.01 0.00 0.00 29.97 30.16 2ksy h ARG 164 CO 0.03 -0.02 0.47 -0.91 -3.11 0.00 0.00 179.97 176.43 2ksy h ASN 165 N -0.03 0.62 0.03 -3.80 -0.26 -1.45 -1.84 115.58 108.85 2ksy h ASN 165 Ca 0.15 0.07 0.01 0.00 -0.56 0.00 0.00 56.30 55.97 2ksy h ASN 165 Cb 0.26 -0.04 -0.01 0.00 -1.06 0.00 0.00 38.32 37.47 2ksy h ASN 165 CO -0.33 0.31 -0.08 -0.07 -1.06 0.00 0.00 177.43 176.19 2ksy h LEU 166 N 0.72 -0.22 -0.03 1.61 3.38 -0.93 -2.72 115.31 117.12 2ksy h LEU 166 Ca 0.44 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.47 2ksy h LEU 166 Cb 0.53 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.32 2ksy h LEU 166 CO -0.31 -0.12 -0.25 0.74 0.09 0.00 0.00 178.44 178.59 2ksy h THR 167 N -0.16 0.43 -0.83 0.22 2.02 -0.66 -2.09 112.91 111.83 2ksy h THR 167 Ca 0.02 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.32 2ksy h THR 167 Cb 0.18 0.43 -0.08 0.00 -1.74 0.00 0.00 68.15 66.93 2ksy h THR 167 CO -0.06 0.00 0.45 0.58 0.37 0.00 0.00 175.52 176.86 2ksy h VAL 168 N -0.37 0.82 0.19 3.16 2.07 -1.40 -1.44 116.25 119.27 2ksy h VAL 168 Ca 0.07 -0.24 -0.01 0.00 0.82 0.00 0.00 66.70 67.34 2ksy h VAL 168 Cb 0.47 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2ksy h VAL 168 CO -0.24 0.13 -0.09 0.58 0.02 0.00 0.00 177.57 177.97 2ksy h VAL 169 N 0.70 0.00 -0.34 2.57 2.07 -1.09 -2.40 116.25 117.76 2ksy h VAL 169 Ca 0.43 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.82 2ksy h VAL 169 Cb 0.51 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 2ksy h VAL 169 CO -0.31 0.00 0.23 0.17 0.02 0.00 0.00 177.57 177.68 2ksy h LEU 170 N -0.40 0.35 -0.61 2.57 8.10 -1.44 -1.72 115.31 122.17 2ksy h LEU 170 Ca -0.03 -0.01 -0.15 0.00 0.11 0.00 0.00 57.88 57.81 2ksy h LEU 170 Cb 0.19 -0.09 -0.02 0.00 -0.44 0.00 0.00 40.66 40.31 2ksy h LEU 170 CO 0.04 0.25 -0.68 -0.50 -4.11 0.00 0.00 178.44 173.44 2ksy h TRP 171 N 0.42 0.10 0.00 0.17 4.06 -1.37 -2.64 115.95 116.69 2ksy h TRP 171 Ca 0.13 -0.04 0.00 0.00 2.06 0.00 0.00 58.89 61.04 2ksy h TRP 171 Cb 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 28.16 2ksy h TRP 171 CO -0.00 0.73 0.00 0.00 -3.56 0.00 0.00 178.44 175.61 2ksy n ALA 172 N -2.43 1.85 0.03 1.49 0.00 -0.65 -2.14 120.51 118.65 2ksy n ALA 172 Ca -0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 2ksy n ALA 172 Cb 0.67 -1.27 -0.09 0.00 0.00 0.00 0.00 19.45 18.76 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 0.70 -0.46 0.00 1.08 -1.40 -3.38 117.51 114.06 2ksy h ILE 173 Ca 0.00 -2.29 0.08 0.00 -0.39 0.00 0.00 64.86 62.26 2ksy h ILE 173 Cb 0.20 2.22 -0.06 0.00 -3.07 0.00 0.00 36.82 36.11 2ksy h ILE 173 CO 0.00 0.40 0.09 1.88 -0.69 0.00 0.00 178.15 179.83 2ksy h TYR 174 N 0.00 0.14 -1.15 1.37 -1.99 -1.49 -0.73 116.97 113.12 2ksy h TYR 174 Ca -0.17 0.03 0.33 0.00 2.00 0.00 0.00 58.73 60.92 2ksy h TYR 174 Cb 1.69 0.01 -0.09 0.00 2.00 0.00 0.00 36.73 40.33 2ksy h TYR 174 CO 0.00 -0.00 0.76 -1.35 -0.00 0.00 0.00 178.16 177.57 2ksy h PRO 175 N 0.22 0.23 0.00 4.88 0.11 -1.74 0.22 132.00 135.92 2ksy h PRO 175 Ca 0.23 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.31 2ksy h PRO 175 Cb 0.30 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.35 2ksy h PRO 175 CO -0.30 0.15 -0.11 0.74 -0.21 0.00 0.00 178.00 178.27 2ksy h PHE 176 N 0.24 0.00 -0.23 0.65 0.04 -1.43 -3.07 116.94 113.14 2ksy h PHE 176 Ca 0.65 0.00 0.05 0.00 2.80 0.00 0.00 57.97 61.47 2ksy h PHE 176 Cb 1.95 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 40.09 2ksy h PHE 176 CO -0.00 0.94 0.16 0.82 -0.60 0.00 0.00 178.31 179.63 2ksy h ILE 177 N -1.00 0.92 0.29 -0.55 1.08 -0.15 0.18 117.51 118.27 2ksy h ILE 177 Ca -0.03 -0.02 -0.01 0.00 -0.39 0.00 0.00 64.86 64.41 2ksy h ILE 177 Cb 0.93 0.85 0.00 0.00 -3.07 0.00 0.00 36.82 35.53 2ksy h ILE 177 CO -0.02 0.01 -0.14 -0.25 -0.69 0.00 0.00 178.15 177.06 2ksy h TRP 178 N 0.06 -0.36 0.45 1.37 7.01 -0.74 -1.92 115.95 121.82 2ksy h TRP 178 Ca 0.10 -0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.07 2ksy h TRP 178 Cb 0.34 0.12 0.00 0.00 -2.10 0.00 0.00 29.16 27.53 2ksy h TRP 178 CO -0.00 -0.17 -0.22 1.25 -2.79 0.00 0.00 178.44 176.52 2ksy h LEU 179 N -1.08 -0.51 -1.74 0.65 5.85 -1.40 -2.86 115.31 114.22 2ksy h LEU 179 Ca -0.04 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.63 2ksy h LEU 179 Cb 0.36 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.52 2ksy h LEU 179 CO 0.07 -0.32 -0.16 -0.07 -0.34 0.00 0.00 178.44 177.62 2ksy h LEU 180 N -0.67 0.00 0.00 2.25 3.38 -0.77 0.67 115.31 120.17 2ksy h LEU 180 Ca -0.06 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.76 2ksy h LEU 180 Cb 0.50 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.32 2ksy h LEU 180 CO 0.10 0.16 0.09 0.61 0.09 0.00 0.00 178.44 179.49 2ksy n GLY 181 N -0.97 -2.04 0.31 0.83 0.00 -0.72 -1.06 105.19 101.54 2ksy n GLY 181 Ca -0.02 -1.55 0.14 0.00 0.00 0.00 0.00 46.02 44.58 2ksy n GLY 181 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ksy h PRO 182 N 0.00 0.32 -0.89 1.61 0.13 -1.84 -2.98 132.00 128.34 2ksy h PRO 182 Ca -0.15 -0.02 0.09 0.00 -0.87 0.00 0.00 66.00 65.05 2ksy h PRO 182 Cb 0.45 -0.07 -0.11 0.00 0.13 0.00 0.00 31.00 31.40 2ksy h PRO 182 CO 0.10 0.21 -0.50 -2.30 -0.23 0.00 0.00 178.00 175.28 2ksy n PRO 183 N -5.11 -0.37 0.00 1.56 -0.02 -1.25 -4.53 135.00 125.28 2ksy n PRO 183 Ca 0.22 1.35 0.00 0.00 -2.02 0.00 0.00 63.50 63.05 2ksy n PRO 183 Cb 0.68 -1.99 0.00 0.00 -0.02 0.00 0.00 33.50 32.17 2ksy n PRO 183 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2ksy n GLY 184 N -1.25 1.04 3.57 -1.23 0.00 -1.13 -4.67 105.19 101.52 2ksy n GLY 184 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 2ksy n GLY 184 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2ksy s VAL 185 N 1.72 3.84 -0.97 1.61 -7.23 0.23 -4.90 120.40 114.70 2ksy s VAL 185 Ca 0.00 -1.02 -0.25 0.00 -1.81 0.00 0.00 61.98 58.90 2ksy s VAL 185 Cb 0.00 -4.84 -0.15 0.00 0.56 0.00 0.00 36.38 31.96 2ksy s VAL 185 CO 0.00 -1.66 2.16 0.00 -0.31 0.00 0.00 175.10 175.29 2ksy s ALA 186 N 6.49 0.94 -0.11 1.32 0.00 -1.19 -3.92 121.76 125.28 2ksy s ALA 186 Ca 0.55 -1.35 -0.28 0.00 0.00 0.00 0.00 51.96 50.88 2ksy s ALA 186 Cb -0.00 -4.63 -0.26 0.00 0.00 0.00 0.00 23.12 18.22 2ksy s ALA 186 CO -0.01 -5.99 0.84 -0.07 0.00 0.00 0.00 175.76 170.53 2ksy h LEU 187 N 21.01 0.07 0.00 0.00 3.38 -1.35 -3.48 115.31 134.94 2ksy h LEU 187 Ca 0.05 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.08 2ksy h LEU 187 Cb 0.99 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.72 2ksy h LEU 187 CO 1.08 1.01 0.00 0.18 0.09 0.00 0.00 178.44 180.79 2ksy n LEU 188 N -4.56 0.00 -4.81 1.67 7.99 -1.26 -5.09 117.00 110.94 2ksy n LEU 188 Ca -0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 56.01 55.53 2ksy n LEU 188 Cb 0.50 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.75 2ksy n LEU 188 CO 0.36 0.00 -0.01 -0.89 -1.51 0.00 0.00 177.39 175.34 2ksy s THR 189 N 1.69 5.26 0.30 -5.08 2.01 -1.26 -4.94 115.64 113.61 2ksy s THR 189 Ca 0.00 0.57 0.05 0.00 0.31 0.00 0.00 61.69 62.61 2ksy s THR 189 Cb 0.00 -3.60 0.30 0.00 0.01 0.00 0.00 72.50 69.21 2ksy s THR 189 CO 0.00 0.52 1.67 -0.65 -0.69 0.00 0.00 174.62 175.47 2ksy h PRO 190 N 5.51 0.31 -0.37 4.92 0.11 -1.98 -0.09 132.00 140.42 2ksy h PRO 190 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.59 2ksy h PRO 190 Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 2ksy h PRO 190 CO 0.66 0.20 0.18 1.79 -0.21 0.00 0.00 178.00 180.63 2ksy h THR 191 N 0.32 1.16 -0.56 -1.15 1.35 -2.00 -2.43 112.91 109.60 2ksy h THR 191 Ca 0.58 -0.45 0.01 0.00 -0.55 0.00 0.00 66.41 66.00 2ksy h THR 191 Cb 1.16 0.79 -0.03 0.00 -1.73 0.00 0.00 68.15 68.34 2ksy h THR 191 CO -0.58 0.17 0.37 0.58 -0.25 0.00 0.00 175.52 175.81 2ksy h VAL 192 N 0.46 1.15 -0.71 6.82 2.07 -1.46 -2.27 116.25 122.30 2ksy h VAL 192 Ca 0.13 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.44 2ksy h VAL 192 Cb 0.10 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.14 2ksy h VAL 192 CO -0.02 0.14 0.41 -0.78 0.02 0.00 0.00 177.57 177.34 2ksy h ASP 193 N 0.76 0.62 -0.43 0.57 3.58 -1.08 -1.36 116.42 119.07 2ksy h ASP 193 Ca 0.21 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.64 2ksy h ASP 193 Cb -0.09 -0.10 -0.02 0.00 1.72 0.00 0.00 39.33 40.84 2ksy h ASP 193 CO -0.04 0.40 0.14 0.58 -2.88 0.00 0.00 179.24 177.44 2ksy h VAL 194 N 0.75 1.20 -0.34 2.25 2.07 -1.05 -2.26 116.25 118.88 2ksy h VAL 194 Ca 0.32 -0.70 0.02 0.00 0.82 0.00 0.00 66.70 67.16 2ksy h VAL 194 Cb 0.19 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2ksy h VAL 194 CO -0.18 0.26 0.18 0.00 0.02 0.00 0.00 177.57 177.85 2ksy h ALA 195 N 1.45 0.41 -0.49 1.67 0.00 -0.69 0.49 119.26 122.11 2ksy h ALA 195 Ca 0.16 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2ksy h ALA 195 Cb 0.23 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2ksy h ALA 195 CO -0.01 -0.19 -0.03 -0.07 0.00 0.00 0.00 179.25 178.95 2ksy h LEU 196 N 0.36 0.81 0.66 0.00 3.38 -1.22 -1.52 115.31 117.78 2ksy h LEU 196 Ca 0.14 -0.21 -0.03 0.00 0.09 0.00 0.00 57.88 57.86 2ksy h LEU 196 Cb 0.04 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.58 2ksy h LEU 196 CO -0.09 0.89 -0.32 0.40 0.09 0.00 0.00 178.44 179.42 2ksy h ILE 197 N 0.77 0.32 -0.89 1.22 1.08 -0.88 0.28 117.51 119.41 2ksy h ILE 197 Ca 0.14 -0.11 0.19 0.00 -0.39 0.00 0.00 64.86 64.69 2ksy h ILE 197 Cb 0.51 0.36 -0.07 0.00 -3.07 0.00 0.00 36.82 34.55 2ksy h ILE 197 CO 0.03 0.01 0.59 0.58 -0.69 0.00 0.00 178.15 178.67 2ksy h VAL 198 N -0.96 0.70 -0.32 1.67 2.07 -0.87 0.20 116.25 118.75 2ksy h VAL 198 Ca -0.09 -0.15 -0.16 0.00 0.82 0.00 0.00 66.70 67.12 2ksy h VAL 198 Cb 0.70 0.22 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2ksy h VAL 198 CO 0.15 0.08 -0.43 0.22 0.02 0.00 0.00 177.57 177.61 2ksy h TYR 199 N 0.45 0.97 -0.46 1.57 3.20 -0.74 -1.42 116.97 120.54 2ksy h TYR 199 Ca 0.46 -0.30 -0.03 0.00 3.14 0.00 0.00 58.73 62.00 2ksy h TYR 199 Cb 1.09 -0.20 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 2ksy h TYR 199 CO -0.00 1.09 0.16 -0.07 -1.64 0.00 0.00 178.16 177.70 2ksy h LEU 200 N 0.65 0.65 -0.39 2.82 3.38 0.26 -1.08 115.31 121.60 2ksy h LEU 200 Ca 0.04 -0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.64 2ksy h LEU 200 Cb 1.00 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.58 2ksy h LEU 200 CO 0.10 0.67 -0.62 0.44 0.09 0.00 0.00 178.44 179.11 2ksy h ASP 201 N 0.60 0.72 0.35 -0.43 5.19 -1.23 -2.57 116.42 119.06 2ksy h ASP 201 Ca 0.15 -0.42 -0.09 0.00 -0.62 0.00 0.00 57.03 56.05 2ksy h ASP 201 Cb 0.23 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.52 2ksy h ASP 201 CO -0.01 1.17 -0.41 -0.07 -3.12 0.00 0.00 179.24 176.80 2ksy h LEU 202 N 0.47 0.08 0.09 1.55 3.38 -1.11 -3.08 115.31 116.69 2ksy h LEU 202 Ca -0.01 -0.03 -0.28 0.00 0.09 0.00 0.00 57.88 57.65 2ksy h LEU 202 Cb 1.20 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 41.94 2ksy h LEU 202 CO 0.12 0.49 -1.23 0.58 0.09 0.00 0.00 178.44 178.49 2ksy h VAL 203 N 0.07 1.42 0.00 1.22 2.07 -1.15 -1.88 116.25 117.99 2ksy h VAL 203 Ca 0.00 -2.82 0.00 0.00 0.82 0.00 0.00 66.70 64.71 2ksy h VAL 203 Cb 0.76 2.84 0.00 0.00 -1.52 0.00 0.00 31.29 33.37 2ksy h VAL 203 CO 0.06 0.83 0.00 0.41 0.02 0.00 0.00 177.57 178.89 2ksy n THR 204 N -3.64 0.00 0.00 2.57 -1.04 -0.98 -0.67 114.28 110.53 2ksy n THR 204 Ca -0.10 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.91 2ksy n THR 204 Cb 1.00 -0.47 0.00 0.00 -1.82 0.00 0.00 70.33 69.04 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 -0.74 0.00 0.34 12.58 0.31 -0.72 -2.35 118.33 127.76 2ksy n VAL 206 Ca 0.06 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.23 2ksy n VAL 206 Cb 0.03 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 32.87 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 -0.91 0.54 2.92 0.00 -0.74 -1.05 103.07 103.84 2ksy h GLY 207 Ca 0.00 0.34 0.05 0.00 0.00 0.00 0.00 47.33 47.72 2ksy h GLY 207 CO 0.00 -0.33 0.01 0.74 0.00 0.00 0.00 176.54 176.96 2ksy h PHE 208 N -1.02 0.00 -0.81 5.60 -1.00 -1.28 -1.39 116.94 117.04 2ksy h PHE 208 Ca -0.09 0.02 0.16 0.00 2.81 0.00 0.00 57.97 60.87 2ksy h PHE 208 Cb 0.70 0.04 -0.06 0.00 3.61 0.00 0.00 35.95 40.25 2ksy h PHE 208 CO -0.01 -0.04 0.54 0.78 -1.61 0.00 0.00 178.31 177.97 2ksy h GLY 209 N 0.10 0.81 0.58 -1.45 0.00 -1.74 2.18 103.07 103.56 2ksy h GLY 209 Ca 0.15 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.25 2ksy h GLY 209 CO -0.24 0.05 -0.08 0.74 0.00 0.00 0.00 176.54 177.01 2ksy h PHE 210 N 0.45 0.19 0.00 5.60 0.04 -0.13 0.31 116.94 123.41 2ksy h PHE 210 Ca 0.41 -0.06 -0.04 0.00 2.80 0.00 0.00 57.97 61.07 2ksy h PHE 210 Cb 0.91 -0.04 -0.01 0.00 2.20 0.00 0.00 35.95 39.02 2ksy h PHE 210 CO -0.00 0.65 -0.21 0.82 -0.60 0.00 0.00 178.31 178.97 2ksy h ILE 211 N -0.32 0.91 -0.46 -0.55 2.04 -0.55 -1.67 117.51 116.90 2ksy h ILE 211 Ca 0.01 -0.78 -0.14 0.00 1.00 0.00 0.00 64.86 64.95 2ksy h ILE 211 Cb 0.63 1.45 -0.01 0.00 -0.74 0.00 0.00 36.82 38.15 2ksy h ILE 211 CO 0.02 0.20 -0.25 0.00 0.00 0.00 0.00 178.15 178.12 2ksy h ALA 212 N 1.79 0.65 0.02 1.87 0.00 0.40 -1.67 119.26 122.33 2ksy h ALA 212 Ca -0.00 -0.41 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ksy h ALA 212 Cb 0.43 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2ksy h ALA 212 CO 0.03 0.67 -0.01 -0.07 0.00 0.00 0.00 179.25 179.86 2ksy h LEU 213 N 0.83 -0.02 -0.06 0.00 3.38 0.26 -2.14 115.31 117.57 2ksy h LEU 213 Ca 0.10 -0.49 0.01 0.00 0.09 0.00 0.00 57.88 57.59 2ksy h LEU 213 Cb 0.84 0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.59 2ksy h LEU 213 CO 0.07 0.48 -0.01 -0.78 0.09 0.00 0.00 178.44 178.30 2ksy h ASP 214 N -0.54 -0.03 0.29 -0.43 3.58 -1.37 0.32 116.42 118.24 2ksy h ASP 214 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 2ksy h ASP 214 Cb 0.51 0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.56 2ksy h ASP 214 CO 0.00 -0.01 -0.30 0.00 -2.88 0.00 0.00 179.24 176.06 2ksy h ALA 215 N 1.05 -0.62 -0.08 -0.78 0.00 -1.38 -2.11 119.26 115.34 2ksy h ALA 215 Ca 0.03 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2ksy h ALA 215 Cb 0.03 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2ksy h ALA 215 CO -0.05 -0.88 -0.05 0.00 0.00 0.00 0.00 179.25 178.27 2ksy h ALA 216 N -0.04 1.77 -0.68 0.00 0.00 -1.28 -2.29 119.26 116.74 2ksy h ALA 216 Ca -0.01 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.84 2ksy h ALA 216 Cb 0.57 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.27 2ksy h ALA 216 CO -0.06 0.18 0.42 0.00 0.00 0.00 0.00 179.25 179.78 2ksy h ALA 217 N 1.84 0.89 -0.21 0.00 0.00 0.30 0.22 119.26 122.30 2ksy h ALA 217 Ca 0.03 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2ksy h ALA 217 Cb 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2ksy h ALA 217 CO 0.01 0.17 -0.01 1.15 0.00 0.00 0.00 179.25 180.56 2ksy h THR 218 N 0.81 1.26 0.00 0.00 2.02 -0.98 0.10 112.91 116.12 2ksy h THR 218 Ca 0.28 -0.92 -0.01 0.00 0.77 0.00 0.00 66.41 66.53 2ksy h THR 218 Cb 0.05 1.44 -0.00 0.00 -1.74 0.00 0.00 68.15 67.91 2ksy h THR 218 CO -0.12 0.28 -0.04 -0.07 0.37 0.00 0.00 175.52 175.94 2ksy h LEU 219 N 0.14 0.00 0.00 2.58 3.38 -1.12 0.32 115.31 120.61 2ksy h LEU 219 Ca 0.06 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 219 Cb 0.42 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2ksy h LEU 219 CO 0.01 0.04 -0.57 -0.09 0.09 0.00 0.00 178.44 177.93 2ksy h ARG 220 N 0.00 0.00 0.00 1.13 2.43 -0.21 -3.29 114.38 114.43 2ksy h ARG 220 Ca -0.00 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2ksy h ARG 220 Cb 0.08 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 29.63 2ksy h ARG 220 CO 0.01 0.14 -0.29 0.00 -1.51 0.00 0.00 179.97 178.32 2ksy h ALA 221 N 1.82 0.86 0.00 2.80 0.00 0.13 -3.26 119.26 121.60 2ksy h ALA 221 Ca -0.02 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2ksy h ALA 221 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 2ksy h ALA 221 CO 0.02 0.03 -0.13 1.05 0.00 0.00 0.00 179.25 180.21 2ksy h GLU 222 N 0.00 0.00 0.00 0.00 4.11 -1.36 -3.48 114.58 113.85 2ksy h GLU 222 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 2ksy h GLU 222 Cb 1.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.27 2ksy h GLU 222 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 179.01 176.69 2ksy n HIS 223 N -2.75 -0.19 -1.62 2.06 1.44 -1.23 -4.92 115.22 108.02 2ksy n HIS 223 Ca 0.04 0.00 -0.14 0.00 -2.01 0.00 0.00 57.72 55.61 2ksy n HIS 223 Cb 0.50 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.56 2ksy n HIS 223 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2ksy n GLY 224 N 0.00 1.04 3.62 -1.39 0.00 -1.26 -4.83 105.19 102.37 2ksy n GLY 224 Ca 0.00 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.24 2ksy n GLY 224 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2ksy s GLU 225 N -3.55 3.81 0.00 1.61 0.41 -1.26 -4.81 118.70 114.91 2ksy s GLU 225 Ca 0.00 1.10 0.00 0.00 -0.41 0.00 0.00 54.97 55.66 2ksy s GLU 225 Cb 0.00 -3.91 0.00 0.00 -1.78 0.00 0.00 34.13 28.44 2ksy s GLU 225 CO 0.00 -1.25 0.24 0.45 -0.49 0.00 0.00 175.26 174.21 2ksy n SER 226 N 7.93 0.48 0.08 -0.19 2.88 -1.26 -4.89 113.62 118.65 2ksy n SER 226 Ca 0.15 -0.76 0.00 0.00 -1.33 0.00 0.00 58.87 56.93 2ksy n SER 226 Cb 0.47 0.34 0.00 0.00 -0.75 0.00 0.00 64.21 64.28 2ksy n SER 226 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2ksy n LEU 227 N -0.34 0.70 0.00 2.46 7.94 -1.26 -5.14 117.00 121.35 2ksy n LEU 227 Ca 0.00 0.24 0.00 0.00 -1.11 0.00 0.00 56.01 55.14 2ksy n LEU 227 Cb 0.02 -0.10 0.00 0.00 0.53 0.00 0.00 43.42 43.87 2ksy n LEU 227 CO 0.00 -0.76 0.00 0.00 -1.11 0.00 0.00 177.39 175.52 2ksy n ALA 228 N -3.46 0.00 -2.91 1.96 0.00 -1.26 -4.79 120.51 110.04 2ksy n ALA 228 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.14 2ksy n ALA 228 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2ksy n ALA 228 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2ksy s GLY 229 N -4.13 2.05 -0.21 0.00 0.00 -1.26 -5.01 107.32 98.75 2ksy s GLY 229 Ca 0.00 -0.88 0.12 0.00 0.00 0.00 0.00 44.72 43.96 2ksy s GLY 229 CO 0.00 -0.86 1.28 3.33 0.00 0.00 0.00 173.10 176.85 2ksy n VAL 230 N 0.02 2.24 -3.58 1.40 0.24 -1.26 -5.00 118.33 112.40 2ksy n VAL 230 Ca -0.05 -2.85 -0.19 0.00 -2.04 0.00 0.00 64.34 59.20 2ksy n VAL 230 Cb 0.52 -0.26 0.01 0.00 -1.47 0.00 0.00 33.84 32.63 2ksy n VAL 230 CO 0.00 0.00 0.00 0.47 -2.14 0.00 0.00 176.83 175.16 2ksy n ASP 231 N -1.14 -5.76 0.00 -1.34 8.00 -1.26 -4.90 116.55 110.15 2ksy n ASP 231 Ca 0.22 -0.73 0.00 0.00 0.71 0.00 0.00 54.79 55.00 2ksy n ASP 231 Cb 0.78 -2.97 0.00 0.00 -0.02 0.00 0.00 41.12 38.91 2ksy n ASP 231 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2ksy n THR 232 N -2.70 0.00 -1.63 -3.53 -2.24 -1.26 -5.06 114.28 97.85 2ksy n THR 232 Ca -0.19 0.00 -0.43 0.00 -2.27 0.00 0.00 64.05 61.16 2ksy n THR 232 Cb 0.62 -0.31 -0.03 0.00 -2.10 0.00 0.00 70.33 68.51 2ksy n THR 232 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2ksy s ASP 233 N -3.96 5.55 -0.18 3.42 1.01 -1.26 -4.96 116.67 116.28 2ksy s ASP 233 Ca 0.00 1.93 -0.10 0.00 0.71 0.00 0.00 52.55 55.09 2ksy s ASP 233 Cb 0.00 -2.51 -0.05 0.00 1.01 0.00 0.00 42.92 41.37 2ksy s ASP 233 CO 0.00 -1.88 0.15 -0.89 0.21 0.00 0.00 175.17 172.77 2ksy s THR 234 N 7.94 5.41 0.76 -1.27 2.01 -1.26 -5.08 115.64 124.15 2ksy s THR 234 Ca 0.99 0.24 -0.15 0.00 0.31 0.00 0.00 61.69 63.08 2ksy s THR 234 Cb -0.33 -3.48 -0.00 0.00 0.01 0.00 0.00 72.50 68.69 2ksy s THR 234 CO 0.35 0.46 0.72 -2.65 -0.69 0.00 0.00 174.62 172.82 2ksy n PRO 235 N 3.30 0.28 -2.43 4.92 -0.02 -1.26 -4.54 135.00 135.24 2ksy n PRO 235 Ca -0.16 0.14 -0.04 0.00 -2.02 0.00 0.00 63.50 61.43 2ksy n PRO 235 Cb 0.52 -2.02 -0.03 0.00 -0.02 0.00 0.00 33.50 31.96 2ksy n PRO 235 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ksy n ALA 236 N -2.67 -3.18 -2.28 3.55 0.00 -1.26 -4.98 120.51 109.69 2ksy n ALA 236 Ca 0.11 1.72 -0.37 0.00 0.00 0.00 0.00 53.44 54.91 2ksy n ALA 236 Cb 0.50 -3.52 -0.06 0.00 0.00 0.00 0.00 19.45 16.37 2ksy n ALA 236 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2ksy s VAL 237 N -0.60 4.76 -0.19 0.00 0.11 -1.26 -5.01 120.40 118.21 2ksy s VAL 237 Ca -0.19 1.05 -0.11 0.00 -2.93 0.00 0.00 61.98 59.80 2ksy s VAL 237 Cb 0.01 -3.82 -0.08 0.00 -1.53 0.00 0.00 36.38 30.96 2ksy s VAL 237 CO 0.51 0.35 -0.27 0.00 -3.33 0.00 0.00 175.10 172.36 2ksy n ALA 238 N 1.11 1.60 -0.12 1.54 0.00 -1.26 -5.07 120.51 118.31 2ksy n ALA 238 Ca -0.07 -0.80 0.00 0.00 0.00 0.00 0.00 53.44 52.58 2ksy n ALA 238 Cb 0.51 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.16 2ksy n ALA 238 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2ksy n ASP 239 N -3.99 0.00 -1.08 0.00 2.03 -1.26 -5.01 116.55 107.23 2ksy n ASP 239 Ca -0.36 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 54.83 2ksy n ASP 239 Cb 0.72 0.37 -0.05 0.00 -0.72 0.00 0.00 41.12 41.44 2ksy n ASP 239 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17 2ksy n LEU 240 N -2.17 -0.68 0.00 -2.67 7.94 -1.26 -4.83 117.00 113.33 2ksy n LEU 240 Ca 0.00 0.31 0.00 0.00 -1.11 0.00 0.00 56.01 55.21 2ksy n LEU 240 Cb 0.00 -2.37 0.00 0.00 0.53 0.00 0.00 43.42 41.58 2ksy n LEU 240 CO 0.00 -0.88 0.00 1.21 -1.11 0.00 0.00 177.39 176.61 2ksy n GLU 241 N -1.32 0.00 -2.77 1.96 4.07 -1.26 -5.07 120.64 116.25 2ksy n GLU 241 Ca -0.12 0.27 -0.01 0.00 -0.06 0.00 0.00 57.16 57.24 2ksy n GLU 241 Cb 0.52 -0.75 -0.01 0.00 -0.06 0.00 0.00 31.44 31.14 2ksy n GLU 241 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 2ksy n HIS 242 N -2.04 -3.51 -3.93 4.31 -0.00 -1.26 -4.99 115.22 103.79 2ksy n HIS 242 Ca 0.00 1.64 -0.35 0.00 -0.00 0.00 0.00 57.72 59.01 2ksy n HIS 242 Cb 0.00 -3.58 -0.14 0.00 -0.00 0.00 0.00 29.99 26.27 2ksy n HIS 242 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ksy s HIS 243 N -1.40 2.97 0.04 1.57 2.46 -1.26 -5.08 115.29 114.60 2ksy s HIS 243 Ca -0.04 -0.83 -0.30 0.00 0.47 0.00 0.00 55.06 54.36 2ksy s HIS 243 Cb 0.00 -2.11 -0.07 0.00 -0.13 0.00 0.00 32.58 30.27 2ksy s HIS 243 CO 0.68 -0.49 1.53 -1.01 -2.47 0.00 0.00 174.74 172.97 2ksy s HIS 244 N 1.43 2.66 0.38 3.88 3.76 -1.26 -4.75 115.29 121.37 2ksy s HIS 244 Ca 0.05 0.57 0.00 0.00 -0.15 0.00 0.00 55.06 55.53 2ksy s HIS 244 Cb -0.14 -3.82 0.00 0.00 1.11 0.00 0.00 32.58 29.73 2ksy s HIS 244 CO -0.02 -3.16 0.00 1.58 -0.85 0.00 0.00 174.74 172.29 2ksy n HIS 245 N 5.41 -3.65 0.07 1.40 -0.00 -1.26 -5.07 115.22 112.13 2ksy n HIS 245 Ca 0.14 1.05 0.00 0.00 -0.00 0.00 0.00 57.72 58.91 2ksy n HIS 245 Cb 0.42 2.37 0.00 0.00 -0.00 0.00 0.00 29.99 32.78 2ksy n HIS 245 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2ksy n HIS 246 N -3.43 -0.99 0.86 1.57 -0.00 -1.26 -5.37 115.22 106.59 2ksy n HIS 246 Ca 0.00 0.18 0.07 0.00 -0.00 0.00 0.00 57.72 57.96 2ksy n HIS 246 Cb 0.00 0.30 0.41 0.00 -0.00 0.00 0.00 29.99 30.70 2ksy n HIS 246 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06