#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ksy h VAL 2 N 0.00 0.54 0.00 2.03 -1.51 -2.01 -3.19 116.25 112.10 2ksy h VAL 2 Ca 0.00 -1.37 0.00 0.00 -1.23 0.00 0.00 66.70 64.10 2ksy h VAL 2 Cb 0.00 1.96 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 2ksy h VAL 2 CO 0.00 0.25 -1.02 0.61 -1.23 0.00 0.00 177.57 176.19 2ksy n GLY 3 N 0.56 -0.19 0.18 5.19 0.00 -1.26 -4.53 105.19 105.14 2ksy n GLY 3 Ca 0.01 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.68 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 0.55 -1.07 0.99 5.85 -2.00 -3.19 115.31 116.44 2ksy h LEU 4 Ca 0.00 -0.38 -0.09 0.00 0.84 0.00 0.00 57.88 58.25 2ksy h LEU 4 Cb 0.34 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 2ksy h LEU 4 CO 0.00 1.14 -0.37 0.71 -0.34 0.00 0.00 178.44 179.58 2ksy h THR 5 N 0.30 1.29 -0.90 1.05 1.35 -1.79 -2.97 112.91 111.24 2ksy h THR 5 Ca -0.04 -1.38 0.19 0.00 -0.55 0.00 0.00 66.41 64.63 2ksy h THR 5 Cb 1.37 1.64 -0.07 0.00 -1.73 0.00 0.00 68.15 69.36 2ksy h THR 5 CO 0.14 0.41 0.59 0.71 -0.25 0.00 0.00 175.52 177.12 2ksy h THR 6 N 0.15 0.70 0.23 6.82 1.35 -1.78 -1.81 112.91 118.57 2ksy h THR 6 Ca 0.02 -0.15 0.00 0.00 -0.55 0.00 0.00 66.41 65.72 2ksy h THR 6 Cb 0.73 0.21 -0.01 0.00 -1.73 0.00 0.00 68.15 67.35 2ksy h THR 6 CO 0.05 0.08 -0.20 -0.07 -0.25 0.00 0.00 175.52 175.13 2ksy h LEU 7 N 0.45 -0.54 -1.47 3.87 -0.00 -1.67 -0.17 115.31 115.78 2ksy h LEU 7 Ca 0.47 0.05 -0.03 0.00 -0.00 0.00 0.00 57.88 58.37 2ksy h LEU 7 Cb 1.10 0.18 -0.02 0.00 -0.00 0.00 0.00 40.66 41.92 2ksy h LEU 7 CO -0.19 -0.31 0.06 -0.26 -0.00 0.00 0.00 178.44 177.75 2ksy h PHE 8 N -0.46 0.41 -0.58 1.13 0.04 -1.51 -1.46 116.94 114.50 2ksy h PHE 8 Ca -0.01 -0.02 -0.09 0.00 2.80 0.00 0.00 57.97 60.66 2ksy h PHE 8 Cb 0.42 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2ksy h PHE 8 CO -0.14 0.37 0.02 -1.49 -0.60 0.00 0.00 178.31 176.48 2ksy h TRP 9 N 0.40 1.09 -0.58 -0.55 4.06 -0.89 -0.48 115.95 119.00 2ksy h TRP 9 Ca 0.10 -0.18 -0.10 0.00 2.06 0.00 0.00 58.89 60.76 2ksy h TRP 9 Cb 0.17 -0.29 -0.02 0.00 -1.00 0.00 0.00 29.16 28.03 2ksy h TRP 9 CO 0.00 0.97 -0.04 -0.07 -3.56 0.00 0.00 178.44 175.74 2ksy h LEU 10 N 0.90 1.02 -1.24 -4.49 3.38 -0.39 -2.30 115.31 112.19 2ksy h LEU 10 Ca 0.17 -0.31 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2ksy h LEU 10 Cb 0.52 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2ksy h LEU 10 CO 0.03 1.09 -0.37 1.23 0.09 0.00 0.00 178.44 180.51 2ksy h GLY 11 N 0.97 0.00 1.68 0.83 0.00 -1.02 -2.66 103.07 102.86 2ksy h GLY 11 Ca 0.16 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.33 2ksy h GLY 11 CO 0.04 0.00 -0.61 0.00 0.00 0.00 0.00 176.54 175.97 2ksy h ALA 12 N 1.63 0.78 0.31 3.60 0.00 -0.68 -1.48 119.26 123.42 2ksy h ALA 12 Ca -0.00 -0.54 -0.02 0.00 0.00 0.00 0.00 54.91 54.35 2ksy h ALA 12 Cb 0.70 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2ksy h ALA 12 CO 0.05 0.72 -0.15 0.82 0.00 0.00 0.00 179.25 180.69 2ksy h ILE 13 N 0.25 0.71 -0.85 0.00 2.04 -1.09 -0.35 117.51 118.22 2ksy h ILE 13 Ca -0.01 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.40 2ksy h ILE 13 Cb 1.13 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 38.11 2ksy h ILE 13 CO 0.10 0.09 0.49 1.23 0.00 0.00 0.00 178.15 180.06 2ksy h GLY 14 N -0.67 1.24 1.01 5.37 0.00 -1.54 -2.13 103.07 106.36 2ksy h GLY 14 Ca -0.04 -0.54 -0.01 0.00 0.00 0.00 0.00 47.33 46.74 2ksy h GLY 14 CO 0.07 0.52 0.43 1.98 0.00 0.00 0.00 176.54 179.54 2ksy h MET 15 N 1.18 1.09 -0.92 4.80 1.85 -1.19 -1.96 114.93 119.77 2ksy h MET 15 Ca 0.30 -0.13 0.06 0.00 -0.61 0.00 0.00 59.70 59.33 2ksy h MET 15 Cb -0.01 -0.21 -0.06 0.00 0.43 0.00 0.00 31.60 31.75 2ksy h MET 15 CO -0.05 0.80 0.60 1.25 -0.40 0.00 0.00 176.91 179.11 2ksy h LEU 16 N 1.08 0.94 -0.36 3.39 6.46 -0.41 -0.43 115.31 125.98 2ksy h LEU 16 Ca 0.27 0.01 0.01 0.00 -0.12 0.00 0.00 57.88 58.05 2ksy h LEU 16 Cb 0.03 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 39.74 2ksy h LEU 16 CO -0.04 0.61 0.22 0.58 -0.62 0.00 0.00 178.44 179.18 2ksy h VAL 17 N 1.07 1.05 -0.66 1.05 2.07 -0.96 -2.43 116.25 117.44 2ksy h VAL 17 Ca 0.39 -0.15 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 2ksy h VAL 17 Cb 0.17 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.49 2ksy h VAL 17 CO -0.15 0.08 0.29 1.23 0.02 0.00 0.00 177.57 179.04 2ksy h GLY 18 N 0.44 1.05 0.03 2.17 0.00 -0.99 -1.61 103.07 104.16 2ksy h GLY 18 Ca 0.14 -0.55 0.11 0.00 0.00 0.00 0.00 47.33 47.02 2ksy h GLY 18 CO -0.05 0.52 -0.06 -0.84 0.00 0.00 0.00 176.54 176.11 2ksy h THR 19 N 0.93 0.53 -0.20 4.70 2.02 -0.66 -0.44 112.91 119.79 2ksy h THR 19 Ca 0.22 -0.02 -0.16 0.00 0.77 0.00 0.00 66.41 67.23 2ksy h THR 19 Cb 0.17 0.46 0.00 0.00 -1.74 0.00 0.00 68.15 67.05 2ksy h THR 19 CO -0.02 0.01 -0.48 -0.07 0.37 0.00 0.00 175.52 175.32 2ksy h LEU 20 N 0.06 0.78 -1.66 2.58 3.38 -1.31 -0.57 115.31 118.56 2ksy h LEU 20 Ca 0.26 -0.57 0.04 0.00 0.09 0.00 0.00 57.88 57.71 2ksy h LEU 20 Cb 0.41 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.91 2ksy h LEU 20 CO -0.49 1.20 0.30 0.00 0.09 0.00 0.00 178.44 179.54 2ksy h ALA 21 N 0.60 1.88 0.08 1.53 0.00 -0.60 -0.33 119.26 122.42 2ksy h ALA 21 Ca -0.00 -0.02 -0.35 0.00 0.00 0.00 0.00 54.91 54.54 2ksy h ALA 21 Cb 1.10 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 2ksy h ALA 21 CO 0.11 0.06 -1.98 1.19 0.00 0.00 0.00 179.25 178.62 2ksy n PHE 22 N -4.48 1.04 0.06 0.00 3.72 -0.24 -3.56 117.46 114.01 2ksy n PHE 22 Ca 0.05 0.26 -0.13 0.00 -0.05 0.00 0.00 57.45 57.58 2ksy n PHE 22 Cb 0.20 -1.15 -0.08 0.00 -0.94 0.00 0.00 39.48 37.50 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 0.34 -0.14 -0.04 4.37 0.00 -0.85 -0.47 119.26 122.46 2ksy h ALA 23 Ca -0.41 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 2ksy h ALA 23 Cb 2.03 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 19.87 2ksy h ALA 23 CO 0.07 -0.46 0.02 2.35 0.00 0.00 0.00 179.25 181.23 2ksy h TRP 24 N -0.37 0.07 0.00 0.00 2.91 -1.27 -2.31 115.95 114.98 2ksy h TRP 24 Ca -0.01 -0.01 -0.01 0.00 1.13 0.00 0.00 58.89 59.99 2ksy h TRP 24 Cb 0.31 -0.02 -0.00 0.00 -0.51 0.00 0.00 29.16 28.94 2ksy h TRP 24 CO 0.00 0.21 -0.07 0.00 -1.03 0.00 0.00 178.44 177.56 2ksy h ALA 25 N 0.85 1.19 -0.18 2.65 0.00 -1.61 -2.50 119.26 119.66 2ksy h ALA 25 Ca 0.01 -0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.64 2ksy h ALA 25 Cb 0.17 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 17.96 2ksy h ALA 25 CO -0.00 0.09 -0.74 0.78 0.00 0.00 0.00 179.25 179.38 2ksy h GLY 26 N 0.86 0.90 2.00 0.00 0.00 -0.58 -2.39 103.07 103.86 2ksy h GLY 26 Ca -0.00 -1.23 0.00 0.00 0.00 0.00 0.00 47.33 46.10 2ksy h GLY 26 CO 0.01 1.10 0.00 3.21 0.00 0.00 0.00 176.54 180.85 2ksy h ARG 27 N 0.57 0.00 -0.00 4.80 3.08 -0.99 -2.41 114.38 119.43 2ksy h ARG 27 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.01 2ksy h ARG 27 Cb 1.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2ksy h ARG 27 CO 0.15 0.00 -0.65 -3.47 -1.07 0.00 0.00 179.97 174.94 2ksy n ASP 28 N -2.98 0.66 -2.38 7.04 2.03 -1.08 -4.93 116.55 114.91 2ksy n ASP 28 Ca 0.01 -0.49 0.00 0.00 0.52 0.00 0.00 54.79 54.83 2ksy n ASP 28 Cb 0.33 0.48 0.00 0.00 -0.72 0.00 0.00 41.12 41.20 2ksy n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ksy n ALA 29 N -1.48 0.00 -1.22 -1.67 0.00 -0.91 -5.09 120.51 110.14 2ksy n ALA 29 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2ksy n ALA 29 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 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 3.32 0.80 0.38 0.00 0.00 -1.26 -5.01 105.19 103.42 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 -1.26 0.00 0.00 0.00 173.32 172.06 2ksy n SER 31 N 0.00 2.01 -0.03 1.61 2.88 -1.26 -4.59 113.62 114.24 2ksy n SER 31 Ca 0.00 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.39 2ksy n SER 31 Cb 0.00 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.37 2ksy n SER 31 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2ksy h GLY 32 N 0.00 0.43 2.00 0.46 0.00 -2.03 -3.16 103.07 100.77 2ksy h GLY 32 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 47.33 46.72 2ksy h GLY 32 CO 0.00 0.54 -0.02 0.83 0.00 0.00 0.00 176.54 177.89 2ksy h GLU 33 N -0.09 0.00 -1.10 4.80 4.39 -1.99 -3.09 114.58 117.51 2ksy h GLU 33 Ca -0.03 0.00 0.32 0.00 0.34 0.00 0.00 59.36 59.99 2ksy h GLU 33 Cb 1.04 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.64 2ksy h GLU 33 CO 0.08 0.02 0.81 -0.09 -1.16 0.00 0.00 179.01 178.67 2ksy h ARG 34 N 0.00 0.00 -0.40 2.33 2.43 -1.80 0.47 114.38 117.41 2ksy h ARG 34 Ca -0.00 0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.20 2ksy h ARG 34 Cb 0.48 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.00 2ksy h ARG 34 CO 0.00 0.00 0.22 -0.09 -1.51 0.00 0.00 179.97 178.59 2ksy h ARG 35 N 0.00 0.42 0.00 0.20 2.43 -1.73 0.62 114.38 116.32 2ksy h ARG 35 Ca 0.52 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.57 2ksy h ARG 35 Cb 2.13 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 31.57 2ksy h ARG 35 CO -0.01 0.28 -0.46 1.88 -1.51 0.00 0.00 179.97 180.15 2ksy h TYR 36 N 0.44 0.00 0.19 2.20 -1.99 -1.16 -2.31 116.97 114.34 2ksy h TYR 36 Ca 0.17 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.89 2ksy h TYR 36 Cb 0.05 0.00 0.00 0.00 2.00 0.00 0.00 36.73 38.79 2ksy h TYR 36 CO -0.09 0.46 -0.09 1.88 -0.00 0.00 0.00 178.16 180.32 2ksy h TYR 37 N 0.00 -0.23 -0.91 4.88 0.05 -1.19 -2.28 116.97 117.28 2ksy h TYR 37 Ca -0.00 -0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.84 2ksy h TYR 37 Cb 0.83 0.08 -0.06 0.00 1.01 0.00 0.00 36.73 38.59 2ksy h TYR 37 CO 0.00 0.13 0.59 0.28 -1.05 0.00 0.00 178.16 178.11 2ksy h VAL 38 N -0.95 1.05 -0.08 -2.88 2.07 -0.96 -1.15 116.25 113.35 2ksy h VAL 38 Ca -0.03 -0.35 -0.00 0.00 0.82 0.00 0.00 66.70 67.14 2ksy h VAL 38 Cb 0.47 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.18 2ksy h VAL 38 CO 0.04 0.18 0.04 0.74 0.02 0.00 0.00 177.57 178.60 2ksy h THR 39 N 1.01 1.11 -0.57 2.57 2.02 -1.49 -0.29 112.91 117.27 2ksy h THR 39 Ca 0.40 -0.31 0.07 0.00 0.77 0.00 0.00 66.41 67.33 2ksy h THR 39 Cb 0.24 1.17 -0.06 0.00 -1.74 0.00 0.00 68.15 67.76 2ksy h THR 39 CO -0.16 0.09 0.25 0.25 0.37 0.00 0.00 175.52 176.33 2ksy h LEU 40 N 0.01 0.32 -1.31 2.58 5.85 -0.75 -0.12 115.31 121.89 2ksy h LEU 40 Ca 0.03 0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2ksy h LEU 40 Cb 0.11 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.13 2ksy h LEU 40 CO -0.00 0.21 0.05 0.58 -0.34 0.00 0.00 178.44 178.93 2ksy h VAL 41 N 0.47 1.18 -0.55 1.05 2.07 -1.01 -2.08 116.25 117.38 2ksy h VAL 41 Ca 0.27 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 67.14 2ksy h VAL 41 Cb 0.26 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 2ksy h VAL 41 CO -0.23 0.23 0.36 1.23 0.02 0.00 0.00 177.57 179.19 2ksy h GLY 42 N 0.78 0.75 0.56 2.17 0.00 0.80 -0.22 103.07 107.90 2ksy h GLY 42 Ca 0.12 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2ksy h GLY 42 CO 0.00 0.25 -0.13 -2.22 0.00 0.00 0.00 176.54 174.45 2ksy h ILE 43 N 0.69 0.72 -0.06 2.60 2.04 -0.93 -2.26 117.51 120.30 2ksy h ILE 43 Ca 0.21 -0.76 0.02 0.00 1.00 0.00 0.00 64.86 65.32 2ksy h ILE 43 Cb -0.00 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 37.17 2ksy h ILE 43 CO -0.05 0.14 0.08 -1.28 0.00 0.00 0.00 178.15 177.04 2ksy h SER 44 N -0.80 0.00 0.10 1.72 0.87 -1.27 -1.76 113.55 112.41 2ksy h SER 44 Ca -0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.52 2ksy h SER 44 Cb 0.51 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.47 2ksy h SER 44 CO 0.06 0.00 -0.05 1.23 -0.53 0.00 0.00 176.83 177.54 2ksy h GLY 45 N 0.00 -0.15 1.30 5.77 0.00 -0.95 -2.56 103.07 106.48 2ksy h GLY 45 Ca 0.03 0.05 0.01 0.00 0.00 0.00 0.00 47.33 47.43 2ksy h GLY 45 CO -0.00 -0.05 0.46 0.16 0.00 0.00 0.00 176.54 177.11 2ksy h ILE 46 N -0.95 1.16 -0.28 2.60 3.07 -1.19 -2.49 117.51 119.44 2ksy h ILE 46 Ca -0.01 -0.32 -0.07 0.00 1.55 0.00 0.00 64.86 66.01 2ksy h ILE 46 Cb 0.48 0.16 -0.01 0.00 -0.27 0.00 0.00 36.82 37.19 2ksy h ILE 46 CO 0.02 0.17 -0.10 0.00 -1.05 0.00 0.00 178.15 177.19 2ksy h ALA 47 N 1.57 0.39 -0.42 0.16 0.00 -1.44 -2.43 119.26 117.09 2ksy h ALA 47 Ca 0.26 -0.30 0.07 0.00 0.00 0.00 0.00 54.91 54.94 2ksy h ALA 47 Cb -0.08 -0.10 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 2ksy h ALA 47 CO -0.06 0.24 0.07 0.00 0.00 0.00 0.00 179.25 179.50 2ksy h ALA 48 N 0.76 0.45 -0.19 0.00 0.00 -1.02 -0.83 119.26 118.44 2ksy h ALA 48 Ca 0.07 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 2ksy h ALA 48 Cb 0.60 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2ksy h ALA 48 CO 0.03 -0.33 -0.34 -0.39 0.00 0.00 0.00 179.25 178.22 2ksy h VAL 49 N 0.20 1.29 -0.47 0.00 -1.51 -1.50 -2.28 116.25 111.98 2ksy h VAL 49 Ca 0.21 -1.42 -0.09 0.00 -1.23 0.00 0.00 66.70 64.17 2ksy h VAL 49 Cb 0.26 1.52 -0.02 0.00 -2.13 0.00 0.00 31.29 30.93 2ksy h VAL 49 CO -0.28 0.44 -0.06 0.00 -1.23 0.00 0.00 177.57 176.43 2ksy h ALA 50 N 1.30 1.01 -0.19 5.19 0.00 -0.81 -1.07 119.26 124.69 2ksy h ALA 50 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 54.91 54.54 2ksy h ALA 50 Cb 0.77 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 2ksy h ALA 50 CO 0.06 0.60 -0.30 1.88 0.00 0.00 0.00 179.25 181.49 2ksy h TYR 51 N 0.75 0.67 0.18 0.00 0.05 -1.02 -1.63 116.97 115.98 2ksy h TYR 51 Ca 0.13 -0.23 -0.01 0.00 0.05 0.00 0.00 58.73 58.68 2ksy h TYR 51 Cb 0.55 -0.13 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2ksy h TYR 51 CO 0.03 0.95 -0.09 0.00 -1.05 0.00 0.00 178.16 178.00 2ksy h ALA 52 N 0.61 -0.25 0.09 3.88 0.00 -1.30 0.21 119.26 122.51 2ksy h ALA 52 Ca 0.02 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 2ksy h ALA 52 Cb 0.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ksy h ALA 52 CO 0.07 -0.61 -0.04 -0.39 0.00 0.00 0.00 179.25 178.27 2ksy h VAL 53 N -0.30 0.94 0.00 0.00 -1.51 -1.26 -0.15 116.25 113.96 2ksy h VAL 53 Ca -0.03 -0.10 -0.00 0.00 -1.23 0.00 0.00 66.70 65.34 2ksy h VAL 53 Cb 0.24 1.00 -0.00 0.00 -2.13 0.00 0.00 31.29 30.40 2ksy h VAL 53 CO 0.04 0.02 -0.02 -0.03 -1.23 0.00 0.00 177.57 176.36 2ksy h MET 54 N -0.17 0.00 -0.01 5.19 -1.53 -1.25 -0.04 114.93 117.12 2ksy h MET 54 Ca -0.01 0.00 -0.14 0.00 -3.44 0.00 0.00 59.70 56.10 2ksy h MET 54 Cb 0.14 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.17 2ksy h MET 54 CO 0.02 0.02 -0.66 0.00 0.14 0.00 0.00 176.91 176.42 2ksy h ALA 55 N 1.98 0.88 0.00 0.39 0.00 0.22 -2.84 119.26 119.90 2ksy h ALA 55 Ca -0.00 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.31 2ksy h ALA 55 Cb 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.72 2ksy h ALA 55 CO 0.00 0.81 0.00 1.28 0.00 0.00 0.00 179.25 181.35 2ksy n LEU 56 N -3.77 0.00 0.00 0.00 4.77 -0.04 -4.75 117.00 113.21 2ksy n LEU 56 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2ksy n LEU 56 Cb 0.65 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.74 2ksy n LEU 56 CO 0.43 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2ksy n GLY 57 N 0.81 3.19 3.77 -0.72 0.00 -1.07 -5.03 105.19 106.14 2ksy n GLY 57 Ca 0.21 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.84 2ksy n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2ksy s VAL 58 N -2.11 2.84 0.00 1.61 0.11 -1.14 -2.88 120.40 118.83 2ksy s VAL 58 Ca 0.00 0.75 0.00 0.00 -2.93 0.00 0.00 61.98 59.80 2ksy s VAL 58 Cb 0.00 -3.44 0.00 0.00 -1.53 0.00 0.00 36.38 31.41 2ksy s VAL 58 CO 0.00 0.11 0.00 0.61 -3.33 0.00 0.00 175.10 172.49 2ksy n GLY 59 N 0.69 0.86 3.63 6.54 0.00 -1.26 -3.85 105.19 111.80 2ksy n GLY 59 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 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 -2.22 2.94 -0.15 1.61 0.52 -1.14 -2.44 118.94 118.06 2ksy s TRP 60 Ca 0.00 1.02 0.01 0.00 0.02 0.00 0.00 56.10 57.15 2ksy s TRP 60 Cb 0.00 -3.87 0.00 0.00 -1.15 0.00 0.00 33.47 28.46 2ksy s TRP 60 CO 0.00 -1.18 -0.18 0.54 0.02 0.00 0.00 176.95 176.15 2ksy s VAL 61 N 4.02 2.39 0.70 4.03 0.11 -0.74 -5.01 120.40 125.89 2ksy s VAL 61 Ca 0.50 -0.87 -0.14 0.00 -2.93 0.00 0.00 61.98 58.54 2ksy s VAL 61 Cb -0.13 -1.98 0.02 0.00 -1.53 0.00 0.00 36.38 32.76 2ksy s VAL 61 CO 0.20 0.53 1.13 -2.84 -3.33 0.00 0.00 175.10 170.79 2ksy s PRO 62 N 0.81 2.52 -0.34 1.54 0.02 -1.26 -1.99 135.00 136.30 2ksy s PRO 62 Ca -0.06 1.46 0.00 0.00 0.02 0.00 0.00 61.00 62.42 2ksy s PRO 62 Cb -0.15 -1.91 0.14 0.00 0.02 0.00 0.00 34.50 32.60 2ksy s PRO 62 CO -0.01 -1.48 0.26 0.08 -0.33 0.00 0.00 177.00 175.52 2ksy s VAL 63 N -2.33 -0.08 0.00 3.83 1.01 0.16 -4.81 120.40 118.18 2ksy s VAL 63 Ca 0.68 -1.27 0.00 0.00 0.00 0.00 0.00 61.98 61.39 2ksy s VAL 63 Cb -0.22 -0.95 0.00 0.00 0.00 0.00 0.00 36.38 35.21 2ksy s VAL 63 CO 0.44 -0.79 0.00 0.00 0.00 0.00 0.00 175.10 174.75 2ksy n ALA 64 N 4.36 0.00 -0.00 5.51 0.00 -1.26 -0.47 120.51 128.65 2ksy n ALA 64 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 2ksy n ALA 64 Cb 0.41 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 1.02 -4.11 0.00 1.02 -1.26 -5.05 120.64 112.27 2ksy n GLU 65 Ca 0.00 -0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.90 2ksy n GLU 65 Cb 0.00 -1.01 -0.05 0.00 -0.02 0.00 0.00 31.44 30.36 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 -2.02 2.90 -0.13 3.49 1.81 0.38 -5.12 118.95 120.27 2ksy s ARG 66 Ca -0.00 -0.99 -0.01 0.00 -1.72 0.00 0.00 55.73 53.00 2ksy s ARG 66 Cb 0.00 -2.59 -0.02 0.00 -0.45 0.00 0.00 34.95 31.89 2ksy s ARG 66 CO 0.01 0.43 -0.09 0.99 -0.68 0.00 0.00 175.30 175.97 2ksy s THR 67 N -1.99 3.46 0.05 0.02 2.01 -1.26 0.37 115.64 118.29 2ksy s THR 67 Ca 0.32 -0.52 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2ksy s THR 67 Cb -0.09 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 69.91 2ksy s THR 67 CO 0.24 0.52 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.87 2ksy s VAL 68 N 0.22 3.19 -0.32 3.82 1.01 -0.84 -4.94 120.40 122.54 2ksy s VAL 68 Ca -0.06 -1.11 -0.07 0.00 0.00 0.00 0.00 61.98 60.75 2ksy s VAL 68 Cb -0.15 -2.41 0.03 0.00 0.00 0.00 0.00 36.38 33.85 2ksy s VAL 68 CO 0.04 0.28 0.10 -0.36 0.00 0.00 0.00 175.10 175.16 2ksy s PHE 69 N -1.04 3.21 -0.01 5.22 0.08 -1.26 -1.80 117.98 122.38 2ksy s PHE 69 Ca 0.17 -1.23 -0.25 0.00 0.12 0.00 0.00 56.93 55.75 2ksy s PHE 69 Cb -0.11 -2.27 -0.19 0.00 -0.57 0.00 0.00 43.02 39.88 2ksy s PHE 69 CO 0.08 -0.67 1.30 0.28 -0.10 0.00 0.00 175.22 176.12 2ksy h VAL 70 N 6.04 1.36 -0.72 -0.44 2.07 -1.84 -3.14 116.25 119.58 2ksy h VAL 70 Ca -0.27 -1.10 0.21 0.00 0.82 0.00 0.00 66.70 66.37 2ksy h VAL 70 Cb 1.10 2.07 -0.03 0.00 -1.52 0.00 0.00 31.29 32.91 2ksy h VAL 70 CO 0.61 0.29 0.74 1.55 0.02 0.00 0.00 177.57 180.77 2ksy h PRO 71 N -0.41 0.00 0.09 1.57 0.13 -1.89 0.75 132.00 132.24 2ksy h PRO 71 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2ksy h PRO 71 Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 2ksy h PRO 71 CO 0.00 0.00 -0.04 -0.09 -0.23 0.00 0.00 178.00 177.64 2ksy h ARG 72 N 0.00 -0.12 -0.14 0.86 2.43 -1.88 -2.34 114.38 113.19 2ksy h ARG 72 Ca 0.34 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.51 2ksy h ARG 72 Cb 1.81 0.03 -0.01 0.00 -0.42 0.00 0.00 29.97 31.39 2ksy h ARG 72 CO -0.00 0.39 0.02 1.88 -1.51 0.00 0.00 179.97 180.75 2ksy h TYR 73 N -0.89 0.24 -0.87 2.20 0.05 -1.19 -2.41 116.97 114.11 2ksy h TYR 73 Ca -0.01 -0.03 0.02 0.00 0.05 0.00 0.00 58.73 58.75 2ksy h TYR 73 Cb 0.57 -0.07 -0.05 0.00 1.01 0.00 0.00 36.73 38.19 2ksy h TYR 73 CO 0.12 0.41 0.57 0.97 -1.05 0.00 0.00 178.16 179.18 2ksy h ILE 74 N 0.00 1.18 -0.69 -2.88 -0.00 -1.06 -1.09 117.51 112.97 2ksy h ILE 74 Ca 0.04 -0.39 0.02 0.00 -0.00 0.00 0.00 64.86 64.54 2ksy h ILE 74 Cb 0.30 -0.05 -0.04 0.00 -0.00 0.00 0.00 36.82 37.04 2ksy h ILE 74 CO 0.00 0.21 0.45 -0.78 -0.00 0.00 0.00 178.15 178.03 2ksy h ASP 75 N 1.13 0.74 0.23 2.19 3.58 -1.29 -0.40 116.42 122.61 2ksy h ASP 75 Ca 0.33 -0.01 -0.08 0.00 0.42 0.00 0.00 57.03 57.69 2ksy h ASP 75 Cb -0.07 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 40.80 2ksy h ASP 75 CO -0.09 0.52 -0.31 -0.50 -2.88 0.00 0.00 179.24 175.97 2ksy h TRP 76 N 0.86 0.15 0.00 0.28 6.55 -0.70 0.22 115.95 123.30 2ksy h TRP 76 Ca 0.27 -0.03 -0.12 0.00 0.95 0.00 0.00 58.89 59.95 2ksy h TRP 76 Cb 0.01 -0.04 -0.02 0.00 -0.86 0.00 0.00 29.16 28.25 2ksy h TRP 76 CO -0.00 0.44 -0.59 0.82 -1.05 0.00 0.00 178.44 178.06 2ksy h ILE 77 N 0.12 1.31 0.00 1.49 2.04 -0.46 0.35 117.51 122.36 2ksy h ILE 77 Ca 0.02 -2.09 -0.01 0.00 1.00 0.00 0.00 64.86 63.78 2ksy h ILE 77 Cb 0.62 2.16 -0.00 0.00 -0.74 0.00 0.00 36.82 38.86 2ksy h ILE 77 CO 0.05 0.57 -1.20 0.18 0.00 0.00 0.00 178.15 177.75 2ksy n LEU 78 N -3.68 0.71 -0.12 1.44 4.77 -0.77 -4.33 117.00 115.02 2ksy n LEU 78 Ca -0.01 0.27 -0.22 0.00 -0.03 0.00 0.00 56.01 56.02 2ksy n LEU 78 Cb 0.62 -0.04 -0.07 0.00 -2.33 0.00 0.00 43.42 41.60 2ksy n LEU 78 CO 0.41 -0.14 -1.18 0.35 -1.33 0.00 0.00 177.39 175.50 2ksy n THR 79 N -2.62 1.42 -0.00 -5.08 -2.24 0.72 -4.27 114.28 102.21 2ksy n THR 79 Ca -0.01 -0.22 -0.11 0.00 -2.27 0.00 0.00 64.05 61.44 2ksy n THR 79 Cb 0.57 -1.97 -0.04 0.00 -2.10 0.00 0.00 70.33 66.79 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 -0.92 0.27 0.00 4.28 2.02 -1.12 0.12 112.91 117.56 2ksy h THR 80 Ca -0.48 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.70 2ksy h THR 80 Cb 1.40 0.27 -0.00 0.00 -1.74 0.00 0.00 68.15 68.08 2ksy h THR 80 CO -0.29 0.00 -0.00 -0.65 0.37 0.00 0.00 175.52 174.95 2ksy h PRO 81 N -0.40 0.00 0.02 6.66 0.11 -1.76 -0.60 132.00 136.04 2ksy h PRO 81 Ca 0.10 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.99 2ksy h PRO 81 Cb 0.55 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 2ksy h PRO 81 CO -0.36 0.00 -0.95 1.25 -0.21 0.00 0.00 178.00 177.72 2ksy h LEU 82 N 0.00 0.34 0.13 2.35 5.85 -1.00 -2.06 115.31 120.93 2ksy h LEU 82 Ca -0.00 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2ksy h LEU 82 Cb 0.04 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 40.97 2ksy h LEU 82 CO 0.00 1.12 -0.06 0.40 -0.34 0.00 0.00 178.44 179.56 2ksy h ILE 83 N 0.13 1.04 -0.22 4.05 1.08 0.09 -1.99 117.51 121.69 2ksy h ILE 83 Ca -0.07 -1.00 0.02 0.00 -0.39 0.00 0.00 64.86 63.42 2ksy h ILE 83 Cb 1.61 1.64 -0.01 0.00 -3.07 0.00 0.00 36.82 36.99 2ksy h ILE 83 CO 0.15 0.23 0.15 -0.37 -0.69 0.00 0.00 178.15 177.62 2ksy h VAL 84 N -0.67 1.02 -0.23 1.67 -1.51 -1.56 0.11 116.25 115.08 2ksy h VAL 84 Ca -0.02 -0.08 -0.07 0.00 -1.23 0.00 0.00 66.70 65.30 2ksy h VAL 84 Cb 0.51 0.76 -0.01 0.00 -2.13 0.00 0.00 31.29 30.41 2ksy h VAL 84 CO 0.03 0.04 -0.16 0.22 -1.23 0.00 0.00 177.57 176.47 2ksy h TYR 85 N 0.24 0.42 0.17 5.19 3.20 -1.26 -1.58 116.97 123.35 2ksy h TYR 85 Ca 0.09 -0.07 -0.01 0.00 3.14 0.00 0.00 58.73 61.88 2ksy h TYR 85 Cb 0.06 -0.11 0.00 0.00 1.54 0.00 0.00 36.73 38.22 2ksy h TYR 85 CO -0.00 0.54 -0.08 0.35 -1.64 0.00 0.00 178.16 177.33 2ksy h PHE 86 N 0.36 -0.21 -0.11 -3.82 3.04 -0.01 -0.80 116.94 115.39 2ksy h PHE 86 Ca 0.07 -0.00 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2ksy h PHE 86 Cb 0.50 0.07 -0.01 0.00 2.56 0.00 0.00 35.95 39.08 2ksy h PHE 86 CO 0.01 -0.10 0.00 -0.07 -2.02 0.00 0.00 178.31 176.13 2ksy h LEU 87 N -0.26 0.14 -0.89 0.59 4.07 -1.25 -1.39 115.31 116.32 2ksy h LEU 87 Ca -0.02 -0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.83 2ksy h LEU 87 Cb 0.20 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 41.89 2ksy h LEU 87 CO 0.04 0.17 -0.48 1.23 -1.08 0.00 0.00 178.44 178.32 2ksy h GLY 88 N 0.34 0.00 0.79 0.83 0.00 -0.69 -2.93 103.07 101.40 2ksy h GLY 88 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2ksy h GLY 88 CO 0.00 0.00 -0.27 1.41 0.00 0.00 0.00 176.54 177.68 2ksy h LEU 89 N 0.00 0.49 0.09 3.11 3.38 -0.03 -1.87 115.31 120.49 2ksy h LEU 89 Ca -0.00 -0.55 0.01 0.00 0.09 0.00 0.00 57.88 57.42 2ksy h LEU 89 Cb 0.96 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 2ksy h LEU 89 CO 0.06 0.95 -0.11 -0.07 0.09 0.00 0.00 178.44 179.36 2ksy h LEU 90 N 0.05 -0.29 -1.20 1.67 3.38 -1.47 -2.61 115.31 114.85 2ksy h LEU 90 Ca 0.01 0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 90 Cb 0.86 0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.68 2ksy h LEU 90 CO 0.06 -0.17 0.30 0.00 0.09 0.00 0.00 178.44 178.73 2ksy h ALA 91 N 0.65 1.38 -1.14 1.53 0.00 -1.58 -3.46 119.26 116.65 2ksy h ALA 91 Ca 0.01 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2ksy h ALA 91 Cb 0.23 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 2ksy h ALA 91 CO -0.04 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.11 2ksy n GLY 92 N -1.17 0.49 3.51 0.00 0.00 -0.74 -4.18 105.19 103.09 2ksy n GLY 92 Ca 0.06 -0.28 -0.30 0.00 0.00 0.00 0.00 46.02 45.49 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 -1.14 0.16 0.37 0.99 1.43 -0.95 -5.07 118.68 114.48 2ksy s LEU 93 Ca 0.00 0.66 0.08 0.00 -1.03 0.00 0.00 54.13 53.83 2ksy s LEU 93 Cb 0.00 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.92 2ksy s LEU 93 CO 0.00 -4.52 0.34 -0.62 0.23 0.00 0.00 176.35 171.77 2ksy s ASP 94 N -3.72 5.22 0.41 2.29 2.15 -1.26 -4.94 116.67 116.82 2ksy s ASP 94 Ca 0.71 -0.58 0.16 0.00 0.43 0.00 0.00 52.55 53.27 2ksy s ASP 94 Cb -0.10 -0.82 1.05 0.00 -0.30 0.00 0.00 42.92 42.76 2ksy s ASP 94 CO 0.56 -0.48 1.87 0.28 -0.17 0.00 0.00 175.17 177.24 2ksy h SER 95 N 1.14 0.43 -0.05 -0.34 0.02 -1.99 -0.52 113.55 112.23 2ksy h SER 95 Ca -0.43 0.04 -0.07 0.00 -0.84 0.00 0.00 61.79 60.48 2ksy h SER 95 Cb 1.26 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.76 2ksy h SER 95 CO 0.57 0.19 -0.25 0.08 -1.14 0.00 0.00 176.83 176.28 2ksy h ARG 96 N 0.44 0.26 -0.52 3.45 0.11 -1.99 -2.64 114.38 113.48 2ksy h ARG 96 Ca 0.45 -0.21 0.04 0.00 0.10 0.00 0.00 59.98 60.35 2ksy h ARG 96 Cb 1.05 0.04 -0.04 0.00 1.11 0.00 0.00 29.97 32.14 2ksy h ARG 96 CO -0.17 0.86 0.29 0.93 0.10 0.00 0.00 179.97 181.98 2ksy h GLU 97 N -0.27 0.54 -0.41 0.08 5.08 -1.66 -2.17 114.58 115.76 2ksy h GLU 97 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2ksy h GLU 97 Cb 0.90 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.01 2ksy h GLU 97 CO 0.05 0.36 0.27 0.74 -1.00 0.00 0.00 179.01 179.43 2ksy h PHE 98 N 0.56 0.52 -0.34 4.33 0.04 -1.21 -1.84 116.94 119.00 2ksy h PHE 98 Ca 0.22 0.01 0.10 0.00 2.80 0.00 0.00 57.97 61.10 2ksy h PHE 98 Cb 0.10 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.06 2ksy h PHE 98 CO -0.09 0.34 0.25 0.78 -0.60 0.00 0.00 178.31 178.99 2ksy h GLY 99 N 0.56 0.00 0.56 -1.45 0.00 -1.03 0.48 103.07 102.19 2ksy h GLY 99 Ca 0.15 -0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.42 2ksy h GLY 99 CO -0.03 0.00 -0.22 -2.22 0.00 0.00 0.00 176.54 174.07 2ksy h ILE 100 N 0.00 1.47 -0.25 2.60 2.04 -0.75 -2.48 117.51 120.14 2ksy h ILE 100 Ca 0.16 -1.69 -0.13 0.00 1.00 0.00 0.00 64.86 64.20 2ksy h ILE 100 Cb 0.65 2.44 -0.00 0.00 -0.74 0.00 0.00 36.82 39.17 2ksy h ILE 100 CO -0.00 0.47 -0.34 1.62 0.00 0.00 0.00 178.15 179.90 2ksy h VAL 101 N -0.34 1.31 -0.42 1.67 3.04 -1.00 -2.10 116.25 118.41 2ksy h VAL 101 Ca -0.02 -1.53 -0.01 0.00 -1.01 0.00 0.00 66.70 64.13 2ksy h VAL 101 Cb 0.88 1.71 -0.02 0.00 -2.01 0.00 0.00 31.29 31.85 2ksy h VAL 101 CO 0.05 0.48 0.21 0.40 -1.01 0.00 0.00 177.57 177.70 2ksy h ILE 102 N 0.38 1.17 0.00 3.17 1.08 -1.03 -2.15 117.51 120.13 2ksy h ILE 102 Ca 0.03 -0.47 -0.07 0.00 -0.39 0.00 0.00 64.86 63.95 2ksy h ILE 102 Cb 0.92 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.36 2ksy h ILE 102 CO 0.08 0.18 -0.34 0.00 -0.69 0.00 0.00 178.15 177.38 2ksy h THR 103 N 0.55 1.23 0.60 -0.27 1.03 -1.47 -2.47 112.91 112.11 2ksy h THR 103 Ca 0.15 -1.17 -0.03 0.00 -0.01 0.00 0.00 66.41 65.35 2ksy h THR 103 Cb 0.10 1.63 0.00 0.00 -1.07 0.00 0.00 68.15 68.81 2ksy h THR 103 CO -0.02 0.33 -0.30 0.25 -0.01 0.00 0.00 175.52 175.77 2ksy h LEU 104 N 0.00 -0.71 -1.76 0.00 7.12 -0.76 -2.22 115.31 116.98 2ksy h LEU 104 Ca -0.00 0.03 0.08 0.00 0.13 0.00 0.00 57.88 58.11 2ksy h LEU 104 Cb 0.61 0.19 -0.02 0.00 -0.53 0.00 0.00 40.66 40.90 2ksy h LEU 104 CO 0.04 -0.50 0.31 0.78 -0.13 0.00 0.00 178.44 178.94 2ksy h ASN 105 N -0.82 0.26 -0.22 1.25 -0.26 -1.30 -2.05 115.58 112.44 2ksy h ASN 105 Ca -0.08 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.69 2ksy h ASN 105 Cb 0.64 -0.05 -0.03 0.00 -1.06 0.00 0.00 38.32 37.82 2ksy h ASN 105 CO 0.13 0.16 0.05 0.74 -1.06 0.00 0.00 177.43 177.45 2ksy h THR 106 N 0.29 0.91 -0.83 2.81 2.02 -0.94 -0.55 112.91 116.62 2ksy h THR 106 Ca 0.20 -0.05 -0.02 0.00 0.77 0.00 0.00 66.41 67.32 2ksy h THR 106 Cb 0.43 0.76 -0.04 0.00 -1.74 0.00 0.00 68.15 67.56 2ksy h THR 106 CO -0.04 0.03 0.46 0.58 0.37 0.00 0.00 175.52 176.91 2ksy h VAL 107 N 0.14 1.24 -0.65 3.16 2.07 -0.95 -1.30 116.25 119.96 2ksy h VAL 107 Ca 0.10 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.04 2ksy h VAL 107 Cb 0.09 0.12 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 2ksy h VAL 107 CO -0.13 0.27 0.41 0.58 0.02 0.00 0.00 177.57 178.73 2ksy h VAL 108 N 1.16 1.10 -0.29 2.57 2.07 -1.07 -2.19 116.25 119.60 2ksy h VAL 108 Ca 0.29 -0.28 -0.15 0.00 0.82 0.00 0.00 66.70 67.39 2ksy h VAL 108 Cb 0.03 0.22 -0.00 0.00 -1.52 0.00 0.00 31.29 30.01 2ksy h VAL 108 CO -0.05 0.15 -0.39 0.24 0.02 0.00 0.00 177.57 177.54 2ksy h MET 109 N 0.81 0.78 -0.14 1.57 2.86 -0.76 -2.81 114.93 117.25 2ksy h MET 109 Ca 0.26 -0.45 0.01 0.00 -2.06 0.00 0.00 59.70 57.46 2ksy h MET 109 Cb -0.00 0.04 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2ksy h MET 109 CO -0.09 1.08 0.10 1.25 1.06 0.00 0.00 176.91 180.30 2ksy h LEU 110 N 0.54 0.13 0.17 1.22 5.85 -1.00 -0.17 115.31 122.05 2ksy h LEU 110 Ca 0.03 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 2ksy h LEU 110 Cb 0.99 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2ksy h LEU 110 CO 0.09 0.09 -0.08 0.00 -0.34 0.00 0.00 178.44 178.20 2ksy h ALA 111 N 1.92 -0.24 -0.45 1.25 0.00 -1.25 -2.78 119.26 117.71 2ksy h ALA 111 Ca 0.06 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.76 2ksy h ALA 111 Cb 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2ksy h ALA 111 CO -0.01 -0.38 0.29 0.78 0.00 0.00 0.00 179.25 179.93 2ksy h GLY 112 N -0.74 0.64 0.10 0.00 0.00 -1.22 0.33 103.07 102.18 2ksy h GLY 112 Ca -0.02 -0.23 0.01 0.00 0.00 0.00 0.00 47.33 47.09 2ksy h GLY 112 CO 0.04 0.21 -0.51 -2.75 0.00 0.00 0.00 176.54 173.53 2ksy h PHE 113 N 0.59 -1.48 0.00 5.60 3.04 -1.11 0.56 116.94 124.14 2ksy h PHE 113 Ca 0.17 0.04 0.00 0.00 3.98 0.00 0.00 57.97 62.16 2ksy h PHE 113 Cb -0.04 0.63 0.00 0.00 2.56 0.00 0.00 35.95 39.10 2ksy h PHE 113 CO -0.05 -0.57 0.00 0.00 -2.02 0.00 0.00 178.31 175.67 2ksy h ALA 114 N -0.58 1.00 -0.45 2.41 0.00 -1.39 -2.90 119.26 117.36 2ksy h ALA 114 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.92 2ksy h ALA 114 Cb 0.72 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2ksy h ALA 114 CO -0.28 0.00 0.27 0.78 0.00 0.00 0.00 179.25 180.02 2ksy h GLY 115 N 1.30 0.63 2.00 0.00 0.00 0.20 -2.20 103.07 105.00 2ksy h GLY 115 Ca 0.00 -0.20 -0.02 0.00 0.00 0.00 0.00 47.33 47.10 2ksy h GLY 115 CO 0.00 0.18 -0.11 0.00 0.00 0.00 0.00 176.54 176.61 2ksy h ALA 116 N 1.20 0.94 -0.09 3.60 0.00 -1.24 -3.22 119.26 120.44 2ksy h ALA 116 Ca 0.18 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2ksy h ALA 116 Cb 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2ksy h ALA 116 CO -0.08 0.14 0.00 -1.33 0.00 0.00 0.00 179.25 177.98 2ksy n MET 117 N -3.14 1.63 -3.37 0.00 2.00 -0.83 -4.85 117.12 108.57 2ksy n MET 117 Ca 0.03 -0.51 -0.37 0.00 0.00 0.00 0.00 57.70 56.84 2ksy n MET 117 Cb 0.53 -1.62 -0.06 0.00 0.00 0.00 0.00 33.22 32.07 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 -1.30 4.86 -1.53 2.03 -7.23 -1.19 -4.98 120.40 111.06 2ksy s VAL 118 Ca 0.09 0.98 0.25 0.00 -1.81 0.00 0.00 61.98 61.49 2ksy s VAL 118 Cb 0.07 -3.80 0.11 0.00 0.56 0.00 0.00 36.38 33.33 2ksy s VAL 118 CO 0.03 0.46 1.40 -0.81 -0.31 0.00 0.00 175.10 175.86 2ksy n PRO 119 N 1.44 0.60 0.00 4.82 -0.04 -1.26 -4.94 135.00 135.62 2ksy n PRO 119 Ca -0.10 -0.39 0.00 0.00 -0.04 0.00 0.00 63.50 62.97 2ksy n PRO 119 Cb 0.51 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 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 1.41 3.73 0.09 0.55 0.00 -1.26 -5.04 105.19 104.68 2ksy n GLY 120 Ca 0.09 -0.49 0.05 0.00 0.00 0.00 0.00 46.02 45.67 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 1.46 0.30 -0.61 -5.35 -1.26 -4.67 119.36 109.23 2ksy n ILE 121 Ca 0.00 -1.62 0.19 0.00 -0.27 0.00 0.00 62.75 61.05 2ksy n ILE 121 Cb 0.00 0.13 0.97 0.00 -1.74 0.00 0.00 39.64 39.00 2ksy n ILE 121 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2ksy h GLU 122 N 0.15 0.00 -0.70 6.28 4.39 -1.94 -2.56 114.58 120.20 2ksy h GLU 122 Ca 0.00 0.00 0.15 0.00 0.34 0.00 0.00 59.36 59.85 2ksy h GLU 122 Cb 0.78 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.38 2ksy h GLU 122 CO 0.01 0.00 0.48 0.07 -1.16 0.00 0.00 179.01 178.40 2ksy h ARG 123 N 0.00 0.33 -0.14 2.33 0.11 -1.83 0.11 114.38 115.28 2ksy h ARG 123 Ca 0.00 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 59.99 2ksy h ARG 123 Cb 0.10 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.09 2ksy h ARG 123 CO 0.00 0.22 -0.21 1.88 0.10 0.00 0.00 179.97 181.96 2ksy h TYR 124 N 0.34 0.27 0.23 4.08 0.05 -1.82 -1.07 116.97 119.05 2ksy h TYR 124 Ca 0.34 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 59.07 2ksy h TYR 124 Cb 0.86 -0.07 0.00 0.00 1.01 0.00 0.00 36.73 38.53 2ksy h TYR 124 CO -0.00 0.45 -0.11 0.00 -1.05 0.00 0.00 178.16 177.45 2ksy h ALA 125 N 1.56 -0.31 -0.58 3.88 0.00 -1.18 -0.33 119.26 122.30 2ksy h ALA 125 Ca 0.04 -0.19 0.07 0.00 0.00 0.00 0.00 54.91 54.83 2ksy h ALA 125 Cb 0.51 0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 2ksy h ALA 125 CO 0.03 -0.36 0.26 -0.07 0.00 0.00 0.00 179.25 179.12 2ksy h LEU 126 N -0.94 0.34 -0.74 0.00 3.38 -1.46 -1.31 115.31 114.58 2ksy h LEU 126 Ca -0.03 0.05 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 2ksy h LEU 126 Cb 0.48 -0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2ksy h LEU 126 CO 0.05 0.22 -0.18 0.15 0.09 0.00 0.00 178.44 178.77 2ksy h PHE 127 N 0.49 0.86 -0.82 1.13 3.57 -1.28 -2.39 116.94 118.50 2ksy h PHE 127 Ca 0.27 -0.18 0.20 0.00 3.53 0.00 0.00 57.97 61.79 2ksy h PHE 127 Cb 0.25 -0.21 -0.13 0.00 2.79 0.00 0.00 35.95 38.65 2ksy h PHE 127 CO -0.13 0.89 0.21 0.78 -2.23 0.00 0.00 178.31 177.84 2ksy h GLY 128 N 0.97 1.22 1.50 2.40 0.00 0.14 0.68 103.07 109.98 2ksy h GLY 128 Ca 0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.24 2ksy h GLY 128 CO 0.05 -0.29 -0.53 1.98 0.00 0.00 0.00 176.54 177.75 2ksy h MET 129 N 0.24 0.53 -0.54 4.80 1.85 -1.27 -2.88 114.93 117.67 2ksy h MET 129 Ca 0.49 -0.32 -0.03 0.00 -0.61 0.00 0.00 59.70 59.23 2ksy h MET 129 Cb 0.93 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.97 2ksy h MET 129 CO -0.60 0.92 0.20 0.78 -0.40 0.00 0.00 176.91 177.82 2ksy h GLY 130 N 1.09 0.84 0.52 1.39 0.00 0.66 0.05 103.07 107.63 2ksy h GLY 130 Ca 0.01 -0.43 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2ksy h GLY 130 CO 0.10 0.41 -0.08 0.00 0.00 0.00 0.00 176.54 176.96 2ksy h ALA 131 N 1.45 -0.24 -1.01 3.60 0.00 -0.32 0.22 119.26 122.96 2ksy h ALA 131 Ca 0.18 -0.21 0.10 0.00 0.00 0.00 0.00 54.91 54.98 2ksy h ALA 131 Cb 0.18 0.09 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 2ksy h ALA 131 CO -0.01 -0.39 0.64 0.28 0.00 0.00 0.00 179.25 179.76 2ksy h VAL 132 N -0.72 0.97 -0.23 0.00 2.07 -1.42 0.21 116.25 117.13 2ksy h VAL 132 Ca -0.02 -0.36 -0.12 0.00 0.82 0.00 0.00 66.70 67.01 2ksy h VAL 132 Cb 0.50 -0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 2ksy h VAL 132 CO 0.04 0.19 -0.38 0.00 0.02 0.00 0.00 177.57 177.44 2ksy h ALA 133 N 1.52 0.91 0.50 1.67 0.00 -0.93 -2.53 119.26 120.41 2ksy h ALA 133 Ca 0.48 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ksy h ALA 133 Cb 0.40 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ksy h ALA 133 CO -0.24 0.63 -0.39 0.35 0.00 0.00 0.00 179.25 179.60 2ksy h PHE 134 N 0.43 -1.06 -0.56 0.00 3.57 0.15 -1.18 116.94 118.30 2ksy h PHE 134 Ca 0.04 -0.00 0.10 0.00 3.53 0.00 0.00 57.97 61.65 2ksy h PHE 134 Cb 0.86 0.40 -0.03 0.00 2.79 0.00 0.00 35.95 39.96 2ksy h PHE 134 CO 0.03 -0.57 0.38 -0.84 -2.23 0.00 0.00 178.31 175.09 2ksy h ILE 135 N -0.88 0.87 -0.95 1.41 3.07 -1.40 0.11 117.51 119.74 2ksy h ILE 135 Ca -0.05 -0.11 0.07 0.00 1.55 0.00 0.00 64.86 66.31 2ksy h ILE 135 Cb 0.75 0.53 -0.06 0.00 -0.27 0.00 0.00 36.82 37.76 2ksy h ILE 135 CO 0.00 0.06 0.61 1.23 -1.05 0.00 0.00 178.15 179.00 2ksy h GLY 136 N 0.32 1.40 0.59 0.16 0.00 -0.79 0.19 103.07 104.94 2ksy h GLY 136 Ca 0.26 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.14 2ksy h GLY 136 CO -0.06 0.31 -0.11 -2.00 0.00 0.00 0.00 176.54 174.68 2ksy h LEU 137 N 1.09 -0.26 -1.98 3.11 5.85 0.05 -2.53 115.31 120.64 2ksy h LEU 137 Ca 0.41 -0.25 0.11 0.00 0.84 0.00 0.00 57.88 58.99 2ksy h LEU 137 Cb 0.19 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2ksy h LEU 137 CO -0.16 0.15 0.29 -0.37 -0.34 0.00 0.00 178.44 178.01 2ksy h VAL 138 N -0.72 0.81 -0.45 1.05 -1.51 -1.16 0.21 116.25 114.47 2ksy h VAL 138 Ca -0.03 -0.01 -0.03 0.00 -1.23 0.00 0.00 66.70 65.40 2ksy h VAL 138 Cb 0.49 0.78 -0.02 0.00 -2.13 0.00 0.00 31.29 30.42 2ksy h VAL 138 CO 0.05 0.00 0.16 0.22 -1.23 0.00 0.00 177.57 176.77 2ksy h TYR 139 N 0.03 0.71 -0.40 5.19 3.20 -0.46 -2.33 116.97 122.90 2ksy h TYR 139 Ca 0.19 -0.06 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 2ksy h TYR 139 Cb 0.73 -0.21 -0.02 0.00 1.54 0.00 0.00 36.73 38.77 2ksy h TYR 139 CO -0.00 0.62 0.09 1.88 -1.64 0.00 0.00 178.16 179.12 2ksy h TYR 140 N 0.58 0.61 0.10 -3.82 0.05 -0.54 0.46 116.97 114.41 2ksy h TYR 140 Ca 0.15 -0.04 -0.00 0.00 0.05 0.00 0.00 58.73 58.88 2ksy h TYR 140 Cb 0.24 -0.18 0.00 0.00 1.01 0.00 0.00 36.73 37.79 2ksy h TYR 140 CO 0.01 0.53 -0.05 -0.07 -1.05 0.00 0.00 178.16 177.53 2ksy h LEU 141 N 0.59 -0.11 0.00 3.88 3.38 -1.04 -2.79 115.31 119.23 2ksy h LEU 141 Ca 0.14 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ksy h LEU 141 Cb 0.23 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.01 2ksy h LEU 141 CO -0.00 0.06 -0.10 0.55 0.09 0.00 0.00 178.44 179.03 2ksy n VAL 142 N -5.08 0.11 0.00 1.22 3.14 -0.91 -3.39 118.33 113.42 2ksy n VAL 142 Ca -0.08 -0.06 0.00 0.00 -2.96 0.00 0.00 64.34 61.24 2ksy n VAL 142 Cb 0.14 -0.39 0.00 0.00 -1.06 0.00 0.00 33.84 32.53 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 1.46 -0.63 0.28 7.55 0.00 0.16 -4.53 105.19 109.48 2ksy n GLY 143 Ca 0.06 -0.25 0.15 0.00 0.00 0.00 0.00 46.02 45.99 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 -0.74 1.61 0.13 -1.85 -2.81 132.00 128.34 2ksy h PRO 144 Ca 0.00 0.00 0.14 0.00 -0.87 0.00 0.00 66.00 65.27 2ksy h PRO 144 Cb 0.00 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.08 2ksy h PRO 144 CO 0.00 0.08 0.50 0.52 -0.23 0.00 0.00 178.00 178.86 2ksy h MET 145 N 0.00 0.43 -0.20 0.86 2.86 -1.74 -0.54 114.93 116.60 2ksy h MET 145 Ca -0.00 -0.03 -0.18 0.00 -2.06 0.00 0.00 59.70 57.44 2ksy h MET 145 Cb 0.28 -0.10 -0.00 0.00 0.06 0.00 0.00 31.60 31.84 2ksy h MET 145 CO 0.01 0.29 -0.58 1.79 1.06 0.00 0.00 176.91 179.47 2ksy h THR 146 N 0.44 1.31 -0.19 2.22 1.35 -1.51 -2.09 112.91 114.45 2ksy h THR 146 Ca 0.36 -1.82 -0.18 0.00 -0.55 0.00 0.00 66.41 64.22 2ksy h THR 146 Cb 0.78 1.78 -0.00 0.00 -1.73 0.00 0.00 68.15 68.98 2ksy h THR 146 CO -0.12 0.57 -0.62 -0.33 -0.25 0.00 0.00 175.52 174.78 2ksy h GLU 147 N 0.49 0.65 -0.35 4.72 5.08 -1.34 -0.91 114.58 122.92 2ksy h GLU 147 Ca 0.00 -0.44 -0.17 0.00 -1.00 0.00 0.00 59.36 57.75 2ksy h GLU 147 Cb 1.16 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2ksy h GLU 147 CO 0.12 1.06 -0.44 0.77 -1.00 0.00 0.00 179.01 179.52 2ksy h SER 148 N 0.48 1.00 -0.01 1.42 0.02 -1.16 -2.60 113.55 112.69 2ksy h SER 148 Ca -0.01 -0.49 -0.04 0.00 -0.84 0.00 0.00 61.79 60.41 2ksy h SER 148 Cb 1.20 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 63.46 2ksy h SER 148 CO 0.12 1.29 -0.15 0.00 -1.14 0.00 0.00 176.83 176.95 2ksy h ALA 149 N 0.74 0.03 0.00 3.77 0.00 -1.39 -2.09 119.26 120.32 2ksy h ALA 149 Ca 0.04 -0.42 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 2ksy h ALA 149 Cb 1.05 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.84 2ksy h ALA 149 CO 0.11 0.01 -0.02 1.03 0.00 0.00 0.00 179.25 180.37 2ksy h SER 150 N -0.55 0.00 -0.39 0.00 0.87 -1.25 -0.64 113.55 111.60 2ksy h SER 150 Ca -0.02 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.54 2ksy h SER 150 Cb 0.88 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.84 2ksy h SER 150 CO 0.03 0.02 0.00 0.00 -0.53 0.00 0.00 176.83 176.35 2ksy n GLN 151 N -3.51 3.02 -0.10 2.24 6.02 -0.98 -4.56 117.38 119.51 2ksy n GLN 151 Ca -0.03 -2.43 -0.18 0.00 -0.01 0.00 0.00 57.00 54.35 2ksy n GLN 151 Cb 0.11 -1.54 -0.10 0.00 1.02 0.00 0.00 30.24 29.73 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 2.38 0.00 -3.20 -1.09 9.65 -0.37 -3.49 114.38 118.26 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 1.05 0.00 -0.05 0.00 -1.39 0.00 0.00 29.97 29.59 2ksy h ARG 152 CO 0.10 0.80 0.14 -1.12 2.80 0.00 0.00 179.97 182.69 2ksy s SER 153 N -6.62 -0.09 0.08 -3.80 0.01 -1.23 -5.02 113.70 97.03 2ksy s SER 153 Ca -0.26 -0.86 -0.17 0.00 1.31 0.00 0.00 55.95 55.97 2ksy s SER 153 Cb 0.05 0.73 -0.08 0.00 0.21 0.00 0.00 66.02 66.92 2ksy s SER 153 CO 0.52 -1.39 1.47 0.77 0.41 0.00 0.00 173.24 175.02 2ksy h SER 154 N 2.06 0.54 0.19 2.44 4.64 -1.91 -3.25 113.55 118.25 2ksy h SER 154 Ca -0.24 -0.38 -0.26 0.00 -0.47 0.00 0.00 61.79 60.43 2ksy h SER 154 Cb 1.25 -0.15 0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2ksy h SER 154 CO 0.31 0.79 -1.08 1.23 -0.87 0.00 0.00 176.83 177.21 2ksy h GLY 155 N 0.27 0.63 -0.23 -0.77 0.00 -1.97 -3.29 103.07 97.71 2ksy h GLY 155 Ca 0.06 -1.18 0.28 0.00 0.00 0.00 0.00 47.33 46.49 2ksy h GLY 155 CO 0.03 1.04 0.65 -2.22 0.00 0.00 0.00 176.54 176.04 2ksy h ILE 156 N 0.29 0.49 -0.56 2.60 1.08 -1.84 0.23 117.51 119.79 2ksy h ILE 156 Ca -0.13 -0.15 -0.06 0.00 -0.39 0.00 0.00 64.86 64.13 2ksy h ILE 156 Cb 1.74 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 35.48 2ksy h ILE 156 CO 0.20 0.08 0.12 0.50 -0.69 0.00 0.00 178.15 178.36 2ksy h LYS 157 N 0.43 0.91 -0.11 2.37 3.64 -1.62 -1.19 116.57 121.00 2ksy h LYS 157 Ca 0.64 -0.23 -0.07 0.00 -1.27 0.00 0.00 60.65 59.72 2ksy h LYS 157 Cb 1.50 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 33.21 2ksy h LYS 157 CO -0.38 0.86 -0.20 0.66 -2.27 0.00 0.00 179.45 178.11 2ksy h SER 158 N 0.81 0.36 -0.54 4.20 4.64 -0.77 -2.28 113.55 119.98 2ksy h SER 158 Ca 0.18 -0.55 -0.02 0.00 -0.47 0.00 0.00 61.79 60.93 2ksy h SER 158 Cb 0.36 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 62.32 2ksy h SER 158 CO 0.00 0.85 0.28 -0.07 -0.87 0.00 0.00 176.83 177.02 2ksy h LEU 159 N -0.11 0.71 -0.03 5.97 -0.00 -1.00 -2.76 115.31 118.10 2ksy h LEU 159 Ca 0.01 -0.06 -0.08 0.00 -0.00 0.00 0.00 57.88 57.75 2ksy h LEU 159 Cb 0.78 -0.18 0.00 0.00 -0.00 0.00 0.00 40.66 41.27 2ksy h LEU 159 CO 0.05 0.60 -0.27 0.22 -0.00 0.00 0.00 178.44 179.03 2ksy h TYR 160 N 0.80 0.34 -0.52 1.13 3.20 -1.22 -2.64 116.97 118.06 2ksy h TYR 160 Ca 0.20 -0.16 0.03 0.00 3.14 0.00 0.00 58.73 61.94 2ksy h TYR 160 Cb 0.07 -0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.26 2ksy h TYR 160 CO 0.01 0.91 0.31 -0.39 -1.64 0.00 0.00 178.16 177.35 2ksy h VAL 161 N -0.33 1.04 -0.24 1.81 -1.51 -1.34 0.18 116.25 115.86 2ksy h VAL 161 Ca -0.02 -0.21 -0.07 0.00 -1.23 0.00 0.00 66.70 65.16 2ksy h VAL 161 Cb 0.96 0.38 -0.01 0.00 -2.13 0.00 0.00 31.29 30.50 2ksy h VAL 161 CO 0.06 0.11 -0.14 0.03 -1.23 0.00 0.00 177.57 176.39 2ksy h ARG 162 N 0.61 0.52 0.27 5.19 3.08 -1.60 -2.41 114.38 120.03 2ksy h ARG 162 Ca 0.21 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 60.01 2ksy h ARG 162 Cb 0.03 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 30.08 2ksy h ARG 162 CO -0.10 0.80 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.40 2ksy h LEU 163 N 0.23 -0.31 0.07 3.04 4.07 -1.30 -2.69 115.31 118.43 2ksy h LEU 163 Ca 0.05 -0.20 0.02 0.00 0.08 0.00 0.00 57.88 57.82 2ksy h LEU 163 Cb 0.66 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.45 2ksy h LEU 163 CO 0.04 0.07 -0.19 -0.09 -1.08 0.00 0.00 178.44 177.19 2ksy h ARG 164 N -0.73 -0.33 -0.15 1.13 1.12 -0.74 -0.29 114.38 114.38 2ksy h ARG 164 Ca -0.04 0.02 0.04 0.00 -1.11 0.00 0.00 59.98 58.90 2ksy h ARG 164 Cb 0.49 0.08 -0.05 0.00 -0.01 0.00 0.00 29.97 30.48 2ksy h ARG 164 CO 0.06 -0.22 -0.15 -0.91 -3.11 0.00 0.00 179.97 175.64 2ksy h ASN 165 N -0.35 -0.46 0.33 -3.80 -0.26 -1.53 -0.51 115.58 109.01 2ksy h ASN 165 Ca 0.04 0.09 -0.02 0.00 -0.56 0.00 0.00 56.30 55.85 2ksy h ASN 165 Cb 0.38 0.23 0.00 0.00 -1.06 0.00 0.00 38.32 37.87 2ksy h ASN 165 CO -0.13 -0.19 -0.16 0.25 -1.06 0.00 0.00 177.43 176.14 2ksy h LEU 166 N -0.17 -0.38 0.01 1.61 6.46 -1.33 -2.70 115.31 118.82 2ksy h LEU 166 Ca 0.10 0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.89 2ksy h LEU 166 Cb 0.32 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.31 2ksy h LEU 166 CO -0.25 -0.26 -0.18 0.74 -0.62 0.00 0.00 178.44 177.87 2ksy h THR 167 N -0.46 0.58 -0.90 1.05 2.02 -0.87 -2.77 112.91 111.55 2ksy h THR 167 Ca -0.05 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.20 2ksy h THR 167 Cb 0.35 0.58 -0.07 0.00 -1.74 0.00 0.00 68.15 67.27 2ksy h THR 167 CO 0.08 0.00 0.56 1.62 0.37 0.00 0.00 175.52 178.15 2ksy h VAL 168 N -0.30 1.03 0.55 3.16 3.04 -1.11 0.16 116.25 122.79 2ksy h VAL 168 Ca 0.05 -0.35 -0.02 0.00 -1.01 0.00 0.00 66.70 65.37 2ksy h VAL 168 Cb 0.36 -0.07 -0.00 0.00 -2.01 0.00 0.00 31.29 29.57 2ksy h VAL 168 CO -0.16 0.18 -0.33 0.58 -1.01 0.00 0.00 177.57 176.84 2ksy h VAL 169 N 1.01 0.00 0.00 1.51 2.07 -1.21 0.47 116.25 120.10 2ksy h VAL 169 Ca 0.40 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.88 2ksy h VAL 169 Cb 0.21 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.97 2ksy h VAL 169 CO -0.19 0.00 -0.18 0.17 0.02 0.00 0.00 177.57 177.40 2ksy h LEU 170 N -0.82 0.00 -0.89 2.57 8.10 -1.41 -1.78 115.31 121.08 2ksy h LEU 170 Ca -0.07 0.00 -0.12 0.00 0.11 0.00 0.00 57.88 57.80 2ksy h LEU 170 Cb 0.65 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.85 2ksy h LEU 170 CO 0.09 0.18 -0.55 -0.50 -4.11 0.00 0.00 178.44 173.54 2ksy h TRP 171 N 0.00 0.00 0.00 0.17 4.06 -0.51 -2.47 115.95 117.19 2ksy h TRP 171 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2ksy h TRP 171 Cb 0.35 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.51 2ksy h TRP 171 CO 0.00 0.55 0.00 0.00 -3.56 0.00 0.00 178.44 175.43 2ksy n ALA 172 N -2.43 1.89 0.10 1.49 0.00 0.14 -2.25 120.51 119.44 2ksy n ALA 172 Ca -0.01 -0.07 0.05 0.00 0.00 0.00 0.00 53.44 53.41 2ksy n ALA 172 Cb 0.56 -1.28 -0.01 0.00 0.00 0.00 0.00 19.45 18.73 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 0.37 -0.30 0.00 1.08 -1.45 -3.37 117.51 113.83 2ksy h ILE 173 Ca 0.00 -1.62 0.06 0.00 -0.39 0.00 0.00 64.86 62.91 2ksy h ILE 173 Cb 0.20 1.95 -0.06 0.00 -3.07 0.00 0.00 36.82 35.85 2ksy h ILE 173 CO 0.00 0.21 -0.07 1.88 -0.69 0.00 0.00 178.15 179.48 2ksy h TYR 174 N 0.00 -0.15 -1.13 1.37 0.05 -1.56 -1.20 116.97 114.35 2ksy h TYR 174 Ca -0.06 0.03 0.32 0.00 0.05 0.00 0.00 58.73 59.07 2ksy h TYR 174 Cb 1.30 0.11 -0.06 0.00 1.01 0.00 0.00 36.73 39.09 2ksy h TYR 174 CO 0.00 -0.12 0.79 -1.35 -1.05 0.00 0.00 178.16 176.43 2ksy h PRO 175 N 0.01 0.09 0.00 4.88 0.11 -1.77 -0.05 132.00 135.27 2ksy h PRO 175 Ca 0.14 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 2ksy h PRO 175 Cb 0.22 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 31.30 2ksy h PRO 175 CO -0.30 0.06 -0.05 0.74 -0.21 0.00 0.00 178.00 178.24 2ksy h PHE 176 N 0.10 0.00 -0.54 0.65 0.04 -1.49 -3.12 116.94 112.58 2ksy h PHE 176 Ca 0.56 0.00 -0.03 0.00 2.80 0.00 0.00 57.97 61.31 2ksy h PHE 176 Cb 2.05 0.00 -0.03 0.00 2.20 0.00 0.00 35.95 40.17 2ksy h PHE 176 CO -0.00 0.98 0.23 0.82 -0.60 0.00 0.00 178.31 179.74 2ksy h ILE 177 N -1.00 1.19 0.01 -0.55 1.08 -0.59 0.24 117.51 117.89 2ksy h ILE 177 Ca -0.01 -0.57 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 2ksy h ILE 177 Cb 0.97 0.53 0.00 0.00 -3.07 0.00 0.00 36.82 35.26 2ksy h ILE 177 CO -0.01 0.23 -0.00 -0.25 -0.69 0.00 0.00 178.15 177.43 2ksy h TRP 178 N 0.76 -0.01 0.28 1.37 7.01 -1.19 -0.56 115.95 123.62 2ksy h TRP 178 Ca 0.19 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.17 2ksy h TRP 178 Cb 0.13 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.19 2ksy h TRP 178 CO 0.01 0.47 -0.14 1.25 -2.79 0.00 0.00 178.44 177.24 2ksy h LEU 179 N -0.50 -0.32 -0.32 0.65 5.85 -1.46 -2.80 115.31 116.42 2ksy h LEU 179 Ca -0.00 -0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.51 2ksy h LEU 179 Cb 0.49 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.59 2ksy h LEU 179 CO 0.00 0.10 0.20 -0.07 -0.34 0.00 0.00 178.44 178.34 2ksy h LEU 180 N -0.83 0.37 -9.70 2.25 3.38 -0.65 0.41 115.31 110.55 2ksy h LEU 180 Ca -0.04 -0.03 -0.34 0.00 0.09 0.00 0.00 57.88 57.56 2ksy h LEU 180 Cb 0.51 -0.09 0.19 0.00 0.09 0.00 0.00 40.66 41.36 2ksy h LEU 180 CO 0.06 0.29 -0.24 0.61 0.09 0.00 0.00 178.44 179.26 2ksy n GLY 181 N -1.13 -3.19 0.29 0.83 0.00 -0.22 0.25 105.19 102.04 2ksy n GLY 181 Ca -0.01 -1.33 0.09 0.00 0.00 0.00 0.00 46.02 44.77 2ksy n GLY 181 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2ksy h PRO 182 N -3.17 0.23 -1.35 1.61 0.11 -1.84 -0.66 132.00 126.93 2ksy h PRO 182 Ca -0.40 -0.01 0.39 0.00 0.11 0.00 0.00 66.00 66.09 2ksy h PRO 182 Cb 1.18 -0.05 -0.05 0.00 0.11 0.00 0.00 31.00 32.18 2ksy h PRO 182 CO 0.26 0.15 0.98 -1.35 -0.21 0.00 0.00 178.00 177.83 2ksy h PRO 183 N 0.23 0.00 0.00 1.05 0.11 -1.86 -3.36 132.00 128.17 2ksy h PRO 183 Ca 0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.59 2ksy h PRO 183 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 2ksy h PRO 183 CO -0.60 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 177.60 2ksy n GLY 184 N -1.80 1.44 0.27 -0.55 0.00 -0.42 -4.76 105.19 99.37 2ksy n GLY 184 Ca 0.30 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.50 2ksy n GLY 184 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2ksy h VAL 185 N 0.00 0.00 -5.40 1.61 -1.51 -0.27 -3.48 116.25 107.20 2ksy h VAL 185 Ca 0.00 -0.19 -0.02 0.00 -1.23 0.00 0.00 66.70 65.26 2ksy h VAL 185 Cb 0.00 1.08 0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2ksy h VAL 185 CO 0.00 0.00 -0.91 0.00 -1.23 0.00 0.00 177.57 175.43 2ksy n ALA 186 N -2.00 -3.15 -0.11 5.19 0.00 -0.25 -4.96 120.51 115.23 2ksy n ALA 186 Ca -0.01 0.56 -0.24 0.00 0.00 0.00 0.00 53.44 53.76 2ksy n ALA 186 Cb 0.16 -1.55 -0.11 0.00 0.00 0.00 0.00 19.45 17.94 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 0.55 1.91 0.00 0.00 4.77 0.14 -4.88 117.00 119.48 2ksy n LEU 187 Ca 0.02 0.40 0.00 0.00 -0.03 0.00 0.00 56.01 56.40 2ksy n LEU 187 Cb 0.19 -0.94 0.00 0.00 -2.33 0.00 0.00 43.42 40.34 2ksy n LEU 187 CO 0.40 0.36 0.00 0.18 -1.33 0.00 0.00 177.39 177.00 2ksy n LEU 188 N -4.36 0.00 -4.90 2.23 4.77 -1.26 -5.10 117.00 108.38 2ksy n LEU 188 Ca -0.37 0.00 -0.32 0.00 -0.03 0.00 0.00 56.01 55.29 2ksy n LEU 188 Cb 0.74 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.78 2ksy n LEU 188 CO 0.16 0.00 -0.00 0.28 -1.33 0.00 0.00 177.39 176.50 2ksy s THR 189 N 1.99 5.21 0.36 -5.08 -1.32 -1.26 -4.71 115.64 110.83 2ksy s THR 189 Ca 0.00 0.01 0.12 0.00 -1.21 0.00 0.00 61.69 60.61 2ksy s THR 189 Cb 0.00 -3.62 0.34 0.00 -1.51 0.00 0.00 72.50 67.71 2ksy s THR 189 CO 0.00 0.10 1.81 1.55 -2.21 0.00 0.00 174.62 175.87 2ksy h PRO 190 N 3.02 0.56 -0.18 7.08 0.13 -2.00 -0.99 132.00 139.63 2ksy h PRO 190 Ca -0.46 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2ksy h PRO 190 Cb 1.17 -0.13 -0.02 0.00 0.13 0.00 0.00 31.00 32.16 2ksy h PRO 190 CO 0.72 0.37 0.08 1.79 -0.23 0.00 0.00 178.00 180.73 2ksy h THR 191 N 0.58 0.98 -0.08 1.56 1.35 -1.97 -0.25 112.91 115.07 2ksy h THR 191 Ca 0.53 -0.06 -0.02 0.00 -0.55 0.00 0.00 66.41 66.31 2ksy h THR 191 Cb 1.07 0.79 -0.00 0.00 -1.73 0.00 0.00 68.15 68.28 2ksy h THR 191 CO -0.28 0.03 -0.02 0.58 -0.25 0.00 0.00 175.52 175.58 2ksy h VAL 192 N 0.17 1.29 -0.02 6.82 2.07 -1.68 -2.42 116.25 122.50 2ksy h VAL 192 Ca 0.08 -0.94 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2ksy h VAL 192 Cb 0.03 1.76 -0.03 0.00 -1.52 0.00 0.00 31.29 31.53 2ksy h VAL 192 CO -0.06 0.26 -0.13 -0.78 0.02 0.00 0.00 177.57 176.88 2ksy h ASP 193 N -0.18 -0.39 -0.65 0.57 3.58 -1.13 -1.95 116.42 116.27 2ksy h ASP 193 Ca 0.02 0.06 0.04 0.00 0.42 0.00 0.00 57.03 57.57 2ksy h ASP 193 Cb 0.42 0.17 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 2ksy h ASP 193 CO 0.01 -0.19 0.43 0.58 -2.88 0.00 0.00 179.24 177.19 2ksy h VAL 194 N -0.22 1.08 -0.58 2.25 2.07 -1.09 -1.68 116.25 118.09 2ksy h VAL 194 Ca 0.05 -0.26 0.04 0.00 0.82 0.00 0.00 66.70 67.36 2ksy h VAL 194 Cb 0.28 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 2ksy h VAL 194 CO -0.14 0.14 0.32 0.00 0.02 0.00 0.00 177.57 177.90 2ksy h ALA 195 N 1.63 0.75 -0.30 1.67 0.00 -0.84 0.13 119.26 122.30 2ksy h ALA 195 Ca 0.26 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 2ksy h ALA 195 Cb 0.10 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2ksy h ALA 195 CO -0.07 0.00 -0.12 -0.07 0.00 0.00 0.00 179.25 178.99 2ksy h LEU 196 N 0.62 0.62 0.66 0.00 3.38 -0.98 -1.84 115.31 117.76 2ksy h LEU 196 Ca 0.25 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2ksy h LEU 196 Cb 0.11 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 2ksy h LEU 196 CO -0.15 0.88 -0.47 0.40 0.09 0.00 0.00 178.44 179.19 2ksy h ILE 197 N 0.36 0.06 -0.89 1.22 1.08 -0.90 0.29 117.51 118.73 2ksy h ILE 197 Ca 0.07 0.00 0.20 0.00 -0.39 0.00 0.00 64.86 64.74 2ksy h ILE 197 Cb 0.63 0.06 -0.07 0.00 -3.07 0.00 0.00 36.82 34.37 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 -1.08 0.69 -0.08 1.67 2.07 -0.81 0.35 116.25 119.05 2ksy h VAL 198 Ca -0.08 -0.14 -0.13 0.00 0.82 0.00 0.00 66.70 67.17 2ksy h VAL 198 Cb 0.90 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 2ksy h VAL 198 CO 0.04 0.08 -0.51 0.22 0.02 0.00 0.00 177.57 177.41 2ksy h TYR 199 N 0.41 0.27 -0.36 1.57 3.20 -0.42 -1.93 116.97 119.71 2ksy h TYR 199 Ca 0.46 -0.09 -0.16 0.00 3.14 0.00 0.00 58.73 62.09 2ksy h TYR 199 Cb 1.14 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.35 2ksy h TYR 199 CO -0.00 0.69 -0.39 -0.07 -1.64 0.00 0.00 178.16 176.75 2ksy h LEU 200 N 0.17 0.96 -0.49 2.82 3.38 0.34 -1.22 115.31 121.26 2ksy h LEU 200 Ca 0.01 -0.48 -0.17 0.00 0.09 0.00 0.00 57.88 57.33 2ksy h LEU 200 Cb 0.96 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.44 2ksy h LEU 200 CO 0.08 1.24 -0.60 0.44 0.09 0.00 0.00 178.44 179.69 2ksy h ASP 201 N 0.70 0.57 0.37 -0.43 3.32 -1.28 -2.75 116.42 116.91 2ksy h ASP 201 Ca 0.05 -0.32 -0.11 0.00 0.02 0.00 0.00 57.03 56.67 2ksy h ASP 201 Cb 0.98 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.35 2ksy h ASP 201 CO 0.09 1.04 -0.47 -0.07 -1.72 0.00 0.00 179.24 178.11 2ksy h LEU 202 N 0.38 0.14 -0.10 1.55 3.38 -1.27 -3.11 115.31 116.27 2ksy h LEU 202 Ca -0.00 -0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.66 2ksy h LEU 202 Cb 1.15 -0.04 0.01 0.00 0.09 0.00 0.00 40.66 41.87 2ksy h LEU 202 CO 0.11 0.59 -1.02 1.62 0.09 0.00 0.00 178.44 179.84 2ksy h VAL 203 N 0.11 1.40 0.00 1.22 3.04 -1.15 -2.15 116.25 118.73 2ksy h VAL 203 Ca 0.00 -2.54 0.00 0.00 -1.01 0.00 0.00 66.70 63.15 2ksy h VAL 203 Cb 0.87 2.52 0.00 0.00 -2.01 0.00 0.00 31.29 32.68 2ksy h VAL 203 CO 0.07 0.76 0.00 0.41 -1.01 0.00 0.00 177.57 177.79 2ksy n THR 204 N -3.72 0.00 0.00 3.17 -1.04 -1.05 0.07 114.28 111.71 2ksy n THR 204 Ca -0.08 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.93 2ksy n THR 204 Cb 0.88 -0.78 0.00 0.00 -1.82 0.00 0.00 70.33 68.61 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 -0.87 0.00 0.49 12.58 0.31 -0.81 -2.56 118.33 127.47 2ksy n VAL 206 Ca 0.03 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 -1.31 2.00 2.92 0.00 -0.45 -1.32 103.07 104.91 2ksy h GLY 207 Ca 0.00 0.48 -0.08 0.00 0.00 0.00 0.00 47.33 47.73 2ksy h GLY 207 CO 0.00 -0.48 -0.39 0.27 0.00 0.00 0.00 176.54 175.94 2ksy h PHE 208 N -1.26 0.00 -0.13 5.60 -0.00 -1.59 -2.77 116.94 116.78 2ksy h PHE 208 Ca -0.13 0.00 -0.09 0.00 -0.00 0.00 0.00 57.97 57.75 2ksy h PHE 208 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 35.95 36.90 2ksy h PHE 208 CO 0.02 0.39 -0.32 0.78 -0.00 0.00 0.00 178.31 179.18 2ksy h GLY 209 N 1.92 0.27 0.48 6.09 0.00 -1.75 1.16 103.07 111.24 2ksy h GLY 209 Ca -0.00 -0.23 -0.04 0.00 0.00 0.00 0.00 47.33 47.06 2ksy h GLY 209 CO 0.05 0.21 -0.13 0.74 0.00 0.00 0.00 176.54 177.41 2ksy h PHE 210 N 0.22 0.19 0.00 5.60 0.04 -1.01 -1.47 116.94 120.51 2ksy h PHE 210 Ca 0.03 -0.08 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2ksy h PHE 210 Cb 0.69 -0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 2ksy h PHE 210 CO 0.01 0.77 -0.14 0.82 -0.60 0.00 0.00 178.31 179.18 2ksy h ILE 211 N -0.45 0.90 -0.71 -0.55 2.04 -1.37 -1.84 117.51 115.52 2ksy h ILE 211 Ca -0.01 -0.51 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 2ksy h ILE 211 Cb 0.78 1.29 -0.03 0.00 -0.74 0.00 0.00 36.82 38.13 2ksy h ILE 211 CO 0.03 0.14 0.25 0.00 0.00 0.00 0.00 178.15 178.56 2ksy h ALA 212 N 1.86 0.93 0.26 1.87 0.00 0.17 -2.23 119.26 122.11 2ksy h ALA 212 Ca -0.00 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 2ksy h ALA 212 Cb 0.28 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2ksy h ALA 212 CO 0.02 0.58 -0.12 -0.07 0.00 0.00 0.00 179.25 179.66 2ksy h LEU 213 N 1.03 -0.29 0.04 0.00 3.38 -0.44 -2.04 115.31 116.99 2ksy h LEU 213 Ca 0.23 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.99 2ksy h LEU 213 Cb 0.27 0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 2ksy h LEU 213 CO -0.01 0.17 -0.30 -0.78 0.09 0.00 0.00 178.44 177.60 2ksy h ASP 214 N -0.84 -0.88 0.12 -0.43 3.58 -1.49 0.25 116.42 116.72 2ksy h ASP 214 Ca -0.04 0.11 0.01 0.00 0.42 0.00 0.00 57.03 57.54 2ksy h ASP 214 Cb 0.51 0.35 -0.02 0.00 1.72 0.00 0.00 39.33 41.89 2ksy h ASP 214 CO 0.06 -0.37 -0.18 0.00 -2.88 0.00 0.00 179.24 175.86 2ksy h ALA 215 N 0.25 -0.31 -0.25 -0.78 0.00 -1.52 -1.87 119.26 114.79 2ksy h ALA 215 Ca 0.05 -0.03 0.04 0.00 0.00 0.00 0.00 54.91 54.97 2ksy h ALA 215 Cb 0.54 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ksy h ALA 215 CO -0.23 -0.71 0.17 0.00 0.00 0.00 0.00 179.25 178.48 2ksy h ALA 216 N 0.46 2.02 -0.87 0.00 0.00 -1.13 -0.68 119.26 119.06 2ksy h ALA 216 Ca 0.02 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2ksy h ALA 216 Cb 0.37 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2ksy h ALA 216 CO -0.09 -0.06 0.46 0.00 0.00 0.00 0.00 179.25 179.56 2ksy h ALA 217 N 1.87 1.17 0.00 0.00 0.00 0.32 -2.33 119.26 120.29 2ksy h ALA 217 Ca 0.11 -0.14 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 2ksy h ALA 217 Cb 0.21 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2ksy h ALA 217 CO -0.02 0.66 -0.91 1.15 0.00 0.00 0.00 179.25 180.13 2ksy h THR 218 N 1.22 1.46 -0.75 0.00 2.02 -0.78 -1.71 112.91 114.36 2ksy h THR 218 Ca 0.30 -2.55 0.07 0.00 0.77 0.00 0.00 66.41 65.00 2ksy h THR 218 Cb 0.06 2.45 -0.06 0.00 -1.74 0.00 0.00 68.15 68.85 2ksy h THR 218 CO -0.05 0.75 0.43 -0.07 0.37 0.00 0.00 175.52 176.96 2ksy h LEU 219 N 0.16 0.65 0.00 2.58 3.38 -0.70 -1.48 115.31 119.90 2ksy h LEU 219 Ca -0.06 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.85 2ksy h LEU 219 Cb 1.54 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 42.18 2ksy h LEU 219 CO 0.15 0.40 -0.76 0.08 0.09 0.00 0.00 178.44 178.40 2ksy h ARG 220 N 0.78 0.00 -0.50 1.13 0.11 -1.47 -3.33 114.38 111.10 2ksy h ARG 220 Ca 0.34 0.00 -0.02 0.00 0.10 0.00 0.00 59.98 60.40 2ksy h ARG 220 Cb 0.23 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.29 2ksy h ARG 220 CO -0.20 0.31 0.22 0.00 0.10 0.00 0.00 179.97 180.40 2ksy h ALA 221 N 1.61 1.45 0.00 0.08 0.00 -0.32 -1.45 119.26 120.63 2ksy h ALA 221 Ca -0.05 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2ksy h ALA 221 Cb 1.34 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2ksy h ALA 221 CO 0.04 0.43 0.00 1.05 0.00 0.00 0.00 179.25 180.77 2ksy h GLU 222 N 0.70 0.00 0.00 0.00 4.11 -1.53 -3.44 114.58 114.43 2ksy h GLU 222 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2ksy h GLU 222 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 2ksy h GLU 222 CO -0.02 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.78 2ksy n HIS 223 N -2.82 -2.58 -0.98 2.06 8.25 -0.55 -5.05 115.22 113.56 2ksy n HIS 223 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.47 2ksy n HIS 223 Cb 0.29 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.40 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 5.00 0.71 3.45 -1.41 0.00 -1.26 -5.05 105.19 106.62 2ksy n GLY 224 Ca 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2ksy n GLY 224 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2ksy s GLU 225 N 0.00 3.14 0.09 1.61 2.56 -1.26 -5.01 118.70 119.84 2ksy s GLU 225 Ca 0.00 -0.85 -0.09 0.00 0.00 0.00 0.00 54.97 54.03 2ksy s GLU 225 Cb 0.00 -4.14 -0.00 0.00 2.00 0.00 0.00 34.13 31.99 2ksy s GLU 225 CO 0.00 -1.41 0.20 -1.12 -0.56 0.00 0.00 175.26 172.37 2ksy s SER 226 N 3.03 0.11 0.06 -1.70 0.01 -1.26 -5.14 113.70 108.80 2ksy s SER 226 Ca 0.18 -0.64 0.03 0.00 1.31 0.00 0.00 55.95 56.82 2ksy s SER 226 Cb -0.19 0.35 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2ksy s SER 226 CO 0.12 -0.74 0.06 -0.76 0.41 0.00 0.00 173.24 172.33 2ksy s LEU 227 N -2.86 3.73 0.24 2.44 1.02 -1.26 -5.13 118.68 116.85 2ksy s LEU 227 Ca 0.05 -0.01 0.01 0.00 0.02 0.00 0.00 54.13 54.20 2ksy s LEU 227 Cb 0.05 -2.34 -0.05 0.00 0.02 0.00 0.00 46.19 43.87 2ksy s LEU 227 CO -0.11 0.20 0.07 0.00 0.02 0.00 0.00 176.35 176.54 2ksy s ALA 228 N -1.30 1.61 -1.78 4.21 0.00 -1.26 -4.81 121.76 118.43 2ksy s ALA 228 Ca 0.26 -1.79 0.00 0.00 0.00 0.00 0.00 51.96 50.43 2ksy s ALA 228 Cb -0.12 0.94 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2ksy s ALA 228 CO 0.18 -0.43 0.00 0.41 0.00 0.00 0.00 175.76 175.93 2ksy n GLY 229 N -0.40 0.86 3.77 0.00 0.00 -1.26 -4.92 105.19 103.24 2ksy n GLY 229 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2ksy n GLY 229 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2ksy s VAL 230 N -2.69 2.62 -0.53 1.61 1.01 -1.26 -4.97 120.40 116.19 2ksy s VAL 230 Ca 0.00 0.60 -0.20 0.00 0.00 0.00 0.00 61.98 62.39 2ksy s VAL 230 Cb 0.00 -3.38 0.06 0.00 0.00 0.00 0.00 36.38 33.07 2ksy s VAL 230 CO 0.00 0.13 0.69 -1.81 0.00 0.00 0.00 175.10 174.11 2ksy s ASP 231 N -0.51 6.23 -0.28 3.32 1.01 -1.26 -4.99 116.67 120.19 2ksy s ASP 231 Ca 0.51 -0.92 -0.21 0.00 0.71 0.00 0.00 52.55 52.64 2ksy s ASP 231 Cb -0.40 -2.32 0.11 0.00 1.01 0.00 0.00 42.92 41.33 2ksy s ASP 231 CO 0.53 -0.99 0.90 0.28 0.21 0.00 0.00 175.17 176.10 2ksy s THR 232 N 2.87 0.00 -1.58 -1.27 -1.32 -1.26 -4.92 115.64 108.16 2ksy s THR 232 Ca 0.17 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.65 2ksy s THR 232 Cb -0.19 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 2ksy s THR 232 CO 0.12 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 173.00 2ksy n ASP 233 N 3.10 -5.20 -0.08 8.08 8.00 -1.26 -4.85 116.55 124.33 2ksy n ASP 233 Ca -0.16 0.37 -0.16 0.00 0.71 0.00 0.00 54.79 55.55 2ksy n ASP 233 Cb 0.57 -4.24 -0.11 0.00 -0.02 0.00 0.00 41.12 37.31 2ksy n ASP 233 CO 0.00 0.00 0.00 0.74 -0.39 0.00 0.00 177.20 177.55 2ksy h THR 234 N 0.00 1.31 -0.08 -3.53 2.02 -1.94 -3.39 112.91 107.30 2ksy h THR 234 Ca -0.30 -2.17 -0.05 0.00 0.77 0.00 0.00 66.41 64.65 2ksy h THR 234 Cb 1.18 2.66 0.00 0.00 -1.74 0.00 0.00 68.15 70.26 2ksy h THR 234 CO 0.45 0.44 -0.15 1.55 0.37 0.00 0.00 175.52 178.18 2ksy h PRO 235 N -1.00 0.24 -5.17 6.66 0.13 -1.99 -3.49 132.00 127.38 2ksy h PRO 235 Ca -0.13 -0.15 0.01 0.00 -0.87 0.00 0.00 66.00 64.85 2ksy h PRO 235 Cb 1.05 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 32.13 2ksy h PRO 235 CO -0.08 0.74 -1.28 0.00 -0.23 0.00 0.00 178.00 177.15 2ksy n ALA 236 N -2.44 -3.45 -2.66 -0.56 0.00 -1.26 -4.91 120.51 105.24 2ksy n ALA 236 Ca -0.08 1.51 -0.42 0.00 0.00 0.00 0.00 53.44 54.45 2ksy n ALA 236 Cb 0.38 -3.00 -0.03 0.00 0.00 0.00 0.00 19.45 16.80 2ksy n ALA 236 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2ksy s VAL 237 N -1.03 4.76 0.00 0.00 1.01 -1.26 -4.66 120.40 119.23 2ksy s VAL 237 Ca -0.16 1.84 0.00 0.00 0.00 0.00 0.00 61.98 63.67 2ksy s VAL 237 Cb 0.01 -4.23 0.00 0.00 0.00 0.00 0.00 36.38 32.16 2ksy s VAL 237 CO 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 175.10 175.72 2ksy n ALA 238 N 6.00 0.00 0.00 5.51 0.00 -1.26 -5.01 120.51 125.75 2ksy n ALA 238 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2ksy n ALA 238 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 2ksy n ALA 238 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2ksy n ASP 239 N -2.31 0.00 -2.35 0.00 8.00 -1.26 -5.14 116.55 113.49 2ksy n ASP 239 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 2ksy n ASP 239 Cb 0.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2ksy n ASP 239 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 2ksy n LEU 240 N -0.69 -6.23 -2.57 0.64 7.99 -1.26 -4.85 117.00 110.03 2ksy n LEU 240 Ca 0.00 2.53 -0.06 0.00 -0.01 0.00 0.00 56.01 58.48 2ksy n LEU 240 Cb 0.00 -3.14 -0.05 0.00 -0.11 0.00 0.00 43.42 40.13 2ksy n LEU 240 CO 0.00 -3.11 -0.66 1.21 -1.51 0.00 0.00 177.39 173.32 2ksy n GLU 241 N 1.69 -4.50 -1.02 3.23 4.07 -1.26 -4.98 120.64 117.88 2ksy n GLU 241 Ca -0.13 3.40 -0.29 0.00 -0.06 0.00 0.00 57.16 60.07 2ksy n GLU 241 Cb 0.20 -5.01 0.17 0.00 -0.06 0.00 0.00 31.44 26.74 2ksy n GLU 241 CO 0.00 0.00 0.00 -1.01 -0.06 0.00 0.00 177.13 176.06 2ksy s HIS 242 N -0.69 2.02 0.12 4.31 3.76 -1.26 -5.01 115.29 118.54 2ksy s HIS 242 Ca -0.28 1.26 0.00 0.00 -0.15 0.00 0.00 55.06 55.89 2ksy s HIS 242 Cb 0.02 -3.18 0.00 0.00 1.11 0.00 0.00 32.58 30.53 2ksy s HIS 242 CO 0.78 -2.81 0.00 1.58 -0.85 0.00 0.00 174.74 173.44 2ksy n HIS 243 N -4.17 -0.97 -3.18 1.40 -0.00 -1.26 -5.09 115.22 101.95 2ksy n HIS 243 Ca 0.06 0.17 -0.39 0.00 0.46 0.00 0.00 57.72 58.03 2ksy n HIS 243 Cb 0.55 0.43 -0.06 0.00 -0.12 0.00 0.00 29.99 30.80 2ksy n HIS 243 CO 0.00 0.00 0.00 -3.38 0.46 0.00 0.00 176.34 173.42 2ksy s HIS 244 N -1.46 3.79 -0.25 1.57 -3.43 -1.26 -5.06 115.29 109.19 2ksy s HIS 244 Ca 0.00 1.33 0.02 0.00 -0.80 0.00 0.00 55.06 55.61 2ksy s HIS 244 Cb 0.00 -2.60 0.06 0.00 -1.43 0.00 0.00 32.58 28.61 2ksy s HIS 244 CO 0.00 0.49 -0.07 -1.58 -2.00 0.00 0.00 174.74 171.58 2ksy s HIS 245 N -0.79 2.83 0.00 0.38 2.46 -1.26 -4.89 115.29 114.02 2ksy s HIS 245 Ca 0.31 -2.07 0.00 0.00 0.47 0.00 0.00 55.06 53.77 2ksy s HIS 245 Cb -0.20 -1.81 0.00 0.00 -0.13 0.00 0.00 32.58 30.44 2ksy s HIS 245 CO 0.20 -0.83 0.00 0.72 -2.47 0.00 0.00 174.74 172.36 2ksy n HIS 246 N 4.55 0.00 1.68 3.88 8.25 -1.26 -5.33 115.22 126.98 2ksy n HIS 246 Ca -0.12 0.00 0.15 0.00 -0.26 0.00 0.00 57.72 57.49 2ksy n HIS 246 Cb 0.43 0.00 0.68 0.00 1.12 0.00 0.00 29.99 32.22 2ksy n HIS 246 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56