#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc0 n VAL 10 N 0.00 4.00 -3.84 2.53 3.14 -1.26 -5.02 118.33 117.87 3kc0 n VAL 10 Ca 0.00 -0.43 -0.12 0.00 -2.96 0.00 0.00 64.34 60.83 3kc0 n VAL 10 Cb 0.00 -1.34 -0.12 0.00 -1.06 0.00 0.00 33.84 31.32 3kc0 n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3kc0 s ASN 11 N -1.54 -0.08 0.33 6.55 2.47 -1.26 -5.08 114.94 116.33 3kc0 s ASN 11 Ca 0.79 0.14 0.09 0.00 0.42 0.00 0.00 52.86 54.29 3kc0 s ASN 11 Cb -0.36 0.23 -0.05 0.00 -1.45 0.00 0.00 41.25 39.62 3kc0 s ASN 11 CO 0.44 -0.11 0.07 0.42 -3.72 0.00 0.00 177.10 174.20 3kc0 s THR 12 N -0.24 2.91 0.20 -5.21 -4.23 -1.26 -0.72 115.64 107.09 3kc0 s THR 12 Ca -0.03 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.53 3kc0 s THR 12 Cb -0.02 -2.88 0.13 0.00 1.34 0.00 0.00 72.50 71.06 3kc0 s THR 12 CO 0.00 -0.21 1.85 0.25 -0.54 0.00 0.00 174.62 175.97 3kc0 h LEU 13 N 1.70 0.71 -0.19 4.79 5.85 -1.50 -0.10 115.31 126.58 3kc0 h LEU 13 Ca -0.43 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.28 3kc0 h LEU 13 Cb 1.25 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3kc0 h LEU 13 CO 0.64 0.50 0.12 0.74 -0.34 0.00 0.00 178.44 180.11 3kc0 h THR 14 N 0.85 1.04 -0.48 1.05 2.02 -1.96 -0.23 112.91 115.20 3kc0 h THR 14 Ca 0.26 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.30 3kc0 h THR 14 Cb -0.03 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.14 3kc0 h THR 14 CO -0.09 0.05 0.09 -0.09 0.37 0.00 0.00 175.52 175.85 3kc0 h ARG 15 N 0.25 0.79 0.65 6.66 2.43 -1.90 -1.68 114.38 121.57 3kc0 h ARG 15 Ca 0.07 -0.21 -0.03 0.00 -0.81 0.00 0.00 59.98 59.00 3kc0 h ARG 15 Cb -0.03 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.43 3kc0 h ARG 15 CO -0.02 0.79 -0.37 0.35 -1.51 0.00 0.00 179.97 179.22 3kc0 h PHE 16 N 0.67 -0.96 -0.49 2.20 3.57 -0.81 -1.75 116.94 119.37 3kc0 h PHE 16 Ca 0.15 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3kc0 h PHE 16 Cb 0.37 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 3kc0 h PHE 16 CO 0.03 -0.57 0.29 0.28 -2.23 0.00 0.00 178.31 176.11 3kc0 h VAL 17 N -0.94 1.14 -0.54 1.41 2.07 -1.05 -1.20 116.25 117.14 3kc0 h VAL 17 Ca -0.08 -0.33 -0.08 0.00 0.82 0.00 0.00 66.70 67.03 3kc0 h VAL 17 Cb 0.75 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3kc0 h VAL 17 CO 0.10 0.15 0.03 -0.03 0.02 0.00 0.00 177.57 177.85 3kc0 h MET 18 N 0.67 0.94 0.21 1.57 1.85 -1.10 -0.83 114.93 118.23 3kc0 h MET 18 Ca 0.18 -0.28 -0.01 0.00 -0.61 0.00 0.00 59.70 58.97 3kc0 h MET 18 Cb -0.01 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.93 3kc0 h MET 18 CO -0.03 0.94 -0.10 1.49 -0.40 0.00 0.00 176.91 178.81 3kc0 h GLU 19 N 0.82 -0.27 -0.39 0.39 4.22 -0.76 -0.11 114.58 118.48 3kc0 h GLU 19 Ca 0.16 0.02 0.02 0.00 0.08 0.00 0.00 59.36 59.64 3kc0 h GLU 19 Cb 0.49 0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 3kc0 h GLU 19 CO 0.02 0.03 0.26 0.93 -2.18 0.00 0.00 179.01 178.08 3kc0 h GLU 20 N -0.58 0.44 -0.30 1.92 4.39 -1.25 -1.04 114.58 118.17 3kc0 h GLU 20 Ca -0.03 -0.03 -0.16 0.00 0.34 0.00 0.00 59.36 59.48 3kc0 h GLU 20 Cb 0.43 -0.10 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 3kc0 h GLU 20 CO 0.05 0.29 -0.47 0.78 -1.16 0.00 0.00 179.01 178.50 3kc0 h GLY 21 N 0.45 0.86 1.08 -3.84 0.00 -0.95 -2.51 103.07 98.17 3kc0 h GLY 21 Ca 0.15 -0.94 -0.08 0.00 0.00 0.00 0.00 47.33 46.46 3kc0 h GLY 21 CO -0.04 0.85 0.11 3.21 0.00 0.00 0.00 176.54 180.67 3kc0 h ARG 22 N 0.63 1.12 -0.30 4.80 2.47 0.06 -2.54 114.38 120.62 3kc0 h ARG 22 Ca 0.03 -0.30 -0.05 0.00 -1.26 0.00 0.00 59.98 58.40 3kc0 h ARG 22 Cb 1.04 -0.13 -0.02 0.00 -1.65 0.00 0.00 29.97 29.22 3kc0 h ARG 22 CO 0.10 1.02 -0.04 0.87 0.56 0.00 0.00 179.97 182.48 3kc0 h LYS 23 N 1.05 0.48 0.00 0.04 1.57 -1.14 -1.94 116.57 116.63 3kc0 h LYS 23 Ca 0.21 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.86 3kc0 h LYS 23 Cb 0.45 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 3kc0 h LYS 23 CO 0.01 0.54 -0.08 0.00 -0.57 0.00 0.00 179.45 179.36 3kc0 h ALA 24 N 1.50 1.24 -6.03 3.86 0.00 -1.02 -3.47 119.26 115.34 3kc0 h ALA 24 Ca 0.10 -0.07 -0.40 0.00 0.00 0.00 0.00 54.91 54.54 3kc0 h ALA 24 Cb 0.37 -0.01 0.09 0.00 0.00 0.00 0.00 17.79 18.23 3kc0 h ALA 24 CO 0.02 0.10 -0.87 0.54 0.00 0.00 0.00 179.25 179.03 3kc0 n ARG 25 N -3.53 -3.23 0.00 0.00 1.74 -0.73 -5.00 116.66 105.91 3kc0 n ARG 25 Ca -0.02 0.60 0.00 0.00 -0.77 0.00 0.00 57.85 57.67 3kc0 n ARG 25 Cb 0.21 -4.94 0.00 0.00 -1.02 0.00 0.00 32.46 26.71 3kc0 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc0 n GLY 26 N -1.56 5.33 0.20 -0.13 0.00 -1.26 -5.03 105.19 102.74 3kc0 n GLY 26 Ca -0.20 -1.87 0.08 0.00 0.00 0.00 0.00 46.02 44.03 3kc0 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kc0 h THR 27 N 0.00 0.54 0.00 2.61 1.35 -1.94 -3.47 112.91 112.00 3kc0 h THR 27 Ca 0.00 -1.40 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 3kc0 h THR 27 Cb 0.00 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3kc0 h THR 27 CO 0.00 0.26 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 3kc0 n GLY 28 N 0.59 0.67 0.24 5.82 0.00 -1.26 -4.98 105.19 106.27 3kc0 n GLY 28 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3kc0 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kc0 h GLU 29 N 4.24 -0.48 -0.86 1.61 5.08 -1.96 -2.34 114.58 119.87 3kc0 h GLU 29 Ca 0.00 0.03 0.12 0.00 -1.00 0.00 0.00 59.36 58.51 3kc0 h GLU 29 Cb 0.00 0.11 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3kc0 h GLU 29 CO 0.00 -0.32 0.55 1.25 -1.00 0.00 0.00 179.01 179.49 3kc0 h LEU 30 N -0.50 0.69 -0.49 1.33 5.85 -1.94 0.21 115.31 120.47 3kc0 h LEU 30 Ca -0.03 0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kc0 h LEU 30 Cb 0.42 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3kc0 h LEU 30 CO 0.03 0.38 0.27 0.74 -0.34 0.00 0.00 178.44 179.53 3kc0 h THR 31 N 0.75 1.16 -0.50 1.05 2.02 -1.82 -0.20 112.91 115.37 3kc0 h THR 31 Ca 0.41 -0.41 -0.10 0.00 0.77 0.00 0.00 66.41 67.08 3kc0 h THR 31 Cb 0.55 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.49 3kc0 h THR 31 CO -0.17 0.17 -0.09 1.56 0.37 0.00 0.00 175.52 177.35 3kc0 h GLN 32 N 0.65 0.91 0.07 6.66 4.20 -0.42 -1.42 115.11 125.76 3kc0 h GLN 32 Ca 0.17 -0.31 -0.00 0.00 0.06 0.00 0.00 58.65 58.57 3kc0 h GLN 32 Cb 0.03 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3kc0 h GLN 32 CO -0.03 0.96 -0.03 1.25 -0.67 0.00 0.00 178.83 180.31 3kc0 h LEU 33 N 0.82 -0.08 -1.02 1.46 6.46 -0.23 -1.34 115.31 121.38 3kc0 h LEU 33 Ca 0.14 -0.05 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3kc0 h LEU 33 Cb 0.62 0.02 -0.03 0.00 -0.73 0.00 0.00 40.66 40.54 3kc0 h LEU 33 CO 0.04 -0.00 0.14 -0.07 -0.62 0.00 0.00 178.44 177.93 3kc0 h LEU 34 N -0.15 0.79 -0.40 2.25 3.38 -0.96 -0.14 115.31 120.08 3kc0 h LEU 34 Ca -0.01 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3kc0 h LEU 34 Cb 0.13 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 3kc0 h LEU 34 CO 0.02 0.77 0.26 0.78 0.09 0.00 0.00 178.44 180.36 3kc0 h ASN 35 N 0.81 0.45 -0.44 -0.43 -0.26 -1.04 0.40 115.58 115.08 3kc0 h ASN 35 Ca 0.18 -0.01 -0.02 0.00 -0.56 0.00 0.00 56.30 55.89 3kc0 h ASN 35 Cb 0.29 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.42 3kc0 h ASN 35 CO -0.00 0.33 0.21 0.28 -1.06 0.00 0.00 177.43 177.19 3kc0 h SER 36 N 0.54 0.57 -0.74 5.81 0.02 -0.66 -1.20 113.55 117.90 3kc0 h SER 36 Ca 0.15 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 3kc0 h SER 36 Cb -0.06 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.30 3kc0 h SER 36 CO -0.03 0.54 0.40 0.25 -1.14 0.00 0.00 176.83 176.85 3kc0 h LEU 37 N 0.57 0.92 -0.39 5.07 5.85 -0.75 -1.47 115.31 125.10 3kc0 h LEU 37 Ca 0.15 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.79 3kc0 h LEU 37 Cb 0.12 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 3kc0 h LEU 37 CO -0.02 0.76 0.22 0.00 -0.34 0.00 0.00 178.44 179.05 3kc0 h THR 39 N 0.44 1.24 -0.45 0.00 2.02 -0.87 -1.85 112.91 113.44 3kc0 h THR 39 Ca 0.16 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.66 3kc0 h THR 39 Cb 0.03 0.33 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3kc0 h THR 39 CO -0.09 0.28 0.24 0.00 0.37 0.00 0.00 175.52 176.33 3kc0 h ALA 40 N 1.17 0.57 -0.99 6.16 0.00 -0.65 -1.41 119.26 124.12 3kc0 h ALA 40 Ca 0.25 -0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.12 3kc0 h ALA 40 Cb 0.12 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3kc0 h ALA 40 CO -0.03 0.10 0.64 0.28 0.00 0.00 0.00 179.25 180.24 3kc0 h VAL 41 N 0.59 1.13 -0.58 0.00 2.07 -0.47 0.23 116.25 119.21 3kc0 h VAL 41 Ca 0.16 -0.41 -0.02 0.00 0.82 0.00 0.00 66.70 67.24 3kc0 h VAL 41 Cb 0.05 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 29.62 3kc0 h VAL 41 CO -0.03 0.22 0.27 0.11 0.02 0.00 0.00 177.57 178.17 3kc0 h LYS 42 N 1.21 0.85 -0.39 1.57 1.57 -0.84 0.16 116.57 120.69 3kc0 h LYS 42 Ca 0.41 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 59.05 3kc0 h LYS 42 Cb 0.08 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3kc0 h LYS 42 CO -0.15 0.70 0.22 0.00 -0.57 0.00 0.00 179.45 179.65 3kc0 h ALA 43 N 1.11 0.50 -0.42 3.86 0.00 -0.15 -1.10 119.26 123.06 3kc0 h ALA 43 Ca 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 3kc0 h ALA 43 Cb 0.14 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3kc0 h ALA 43 CO -0.02 0.03 0.25 0.82 0.00 0.00 0.00 179.25 180.33 3kc0 h ILE 44 N 0.51 1.13 -0.43 0.00 2.04 -0.14 -2.17 117.51 118.45 3kc0 h ILE 44 Ca 0.14 -0.29 0.07 0.00 1.00 0.00 0.00 64.86 65.77 3kc0 h ILE 44 Cb 0.05 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.65 3kc0 h ILE 44 CO -0.02 0.13 0.08 -1.28 0.00 0.00 0.00 178.15 177.06 3kc0 h SER 45 N 0.55 0.00 -0.36 1.72 0.87 -0.32 0.43 113.55 116.45 3kc0 h SER 45 Ca 0.15 0.07 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 3kc0 h SER 45 Cb -0.01 0.10 -0.04 0.00 -0.44 0.00 0.00 62.40 62.01 3kc0 h SER 45 CO -0.03 0.04 0.11 -1.28 -0.53 0.00 0.00 176.83 175.14 3kc0 h SER 46 N 0.22 0.10 -0.18 6.23 0.87 -0.91 -0.79 113.55 119.09 3kc0 h SER 46 Ca 0.21 0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.80 3kc0 h SER 46 Cb 0.26 0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3kc0 h SER 46 CO -0.28 0.10 0.08 0.00 -0.53 0.00 0.00 176.83 176.20 3kc0 h ALA 47 N 1.24 0.24 -0.97 6.23 0.00 -0.70 -2.58 119.26 122.72 3kc0 h ALA 47 Ca 0.16 -0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.05 3kc0 h ALA 47 Cb 0.15 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 17.80 3kc0 h ALA 47 CO -0.18 -0.19 0.62 0.28 0.00 0.00 0.00 179.25 179.78 3kc0 h VAL 48 N 0.16 1.06 0.00 0.00 2.07 0.23 0.54 116.25 120.30 3kc0 h VAL 48 Ca 0.06 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.20 3kc0 h VAL 48 Cb 0.14 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 29.76 3kc0 h VAL 48 CO -0.01 0.20 0.00 0.54 0.02 0.00 0.00 177.57 178.32 3kc0 n ARG 49 N -4.55 0.89 -2.52 1.57 3.00 -0.34 -4.87 116.66 109.84 3kc0 n ARG 49 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.83 3kc0 n ARG 49 Cb 0.20 -1.13 0.01 0.00 0.00 0.00 0.00 32.46 31.54 3kc0 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kc0 n LYS 50 N -0.33 -2.28 -1.72 5.56 4.76 0.18 -4.96 118.16 119.37 3kc0 n LYS 50 Ca 0.00 0.74 -0.42 0.00 -2.87 0.00 0.00 58.31 55.76 3kc0 n LYS 50 Cb 0.07 -5.14 -0.03 0.00 -1.84 0.00 0.00 35.03 28.09 3kc0 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc0 s ALA 51 N -2.89 3.95 0.00 7.82 0.00 -0.98 -1.81 121.76 127.85 3kc0 s ALA 51 Ca 0.09 1.60 0.00 0.00 0.00 0.00 0.00 51.96 53.65 3kc0 s ALA 51 Cb -0.04 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.38 3kc0 s ALA 51 CO 0.12 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.35 3kc0 n GLY 52 N 3.99 0.89 0.36 0.00 0.00 -1.26 -4.86 105.19 104.30 3kc0 n GLY 52 Ca 0.16 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.36 3kc0 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc0 h ILE 53 N 0.00 0.36 -0.82 -0.61 2.10 -1.76 -0.46 117.51 116.32 3kc0 h ILE 53 Ca 0.00 0.00 0.07 0.00 1.08 0.00 0.00 64.86 66.01 3kc0 h ILE 53 Cb 0.00 0.74 -0.05 0.00 -1.09 0.00 0.00 36.82 36.42 3kc0 h ILE 53 CO 0.00 0.00 0.53 0.00 -1.08 0.00 0.00 178.15 177.60 3kc0 h ALA 54 N 1.61 1.62 -0.16 0.18 0.00 -1.91 -0.10 119.26 120.50 3kc0 h ALA 54 Ca 0.12 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kc0 h ALA 54 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3kc0 h ALA 54 CO -0.00 0.25 -0.29 0.45 0.00 0.00 0.00 179.25 179.66 3kc0 h HIS 55 N 0.88 0.35 -0.03 0.00 3.86 -1.47 -1.54 115.15 117.19 3kc0 h HIS 55 Ca 0.35 -0.07 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 3kc0 h HIS 55 Cb 0.25 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 3kc0 h HIS 55 CO -0.00 0.57 -0.23 1.25 0.86 0.00 0.00 177.93 180.38 3kc0 h LEU 56 N 0.27 0.04 -3.76 2.43 7.12 -1.10 -2.58 115.31 117.74 3kc0 h LEU 56 Ca 0.04 -0.01 -0.28 0.00 0.13 0.00 0.00 57.88 57.76 3kc0 h LEU 56 Cb 0.65 -0.01 -0.16 0.00 -0.53 0.00 0.00 40.66 40.61 3kc0 h LEU 56 CO 0.05 0.27 0.33 -1.22 -0.13 0.00 0.00 178.44 177.74 3kc0 n TYR 57 N -4.25 2.45 -1.79 1.25 4.02 -0.66 -4.95 117.16 113.23 3kc0 n TYR 57 Ca -0.02 -1.37 -0.07 0.00 -0.01 0.00 0.00 57.90 56.43 3kc0 n TYR 57 Cb 0.30 -0.72 -0.01 0.00 -0.02 0.00 0.00 39.34 38.88 3kc0 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc0 n GLY 58 N -0.47 0.38 0.35 2.72 0.00 -0.97 -4.94 105.19 102.26 3kc0 n GLY 58 Ca 0.44 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.90 3kc0 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc0 h ILE 59 N 0.00 0.93 -0.48 -0.61 2.10 -1.55 -0.97 117.51 116.94 3kc0 h ILE 59 Ca -0.15 -0.17 0.00 0.00 1.08 0.00 0.00 64.86 65.63 3kc0 h ILE 59 Cb 0.87 0.41 0.00 0.00 -1.09 0.00 0.00 36.82 37.01 3kc0 h ILE 59 CO 0.19 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.35 3kc0 n ALA 60 N -2.50 3.36 0.00 0.18 0.00 -1.26 -5.07 120.51 115.22 3kc0 n ALA 60 Ca 0.09 -1.95 0.00 0.00 0.00 0.00 0.00 53.44 51.58 3kc0 n ALA 60 Cb 0.32 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.83 3kc0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 61 N 0.34 0.23 4.00 0.00 0.00 -0.37 -5.20 105.19 104.19 3kc0 n GLY 61 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.08 3kc0 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc0 s LYS 71 N -0.97 2.81 0.60 1.61 -2.85 -1.26 -4.76 119.74 114.93 3kc0 s LYS 71 Ca 0.00 -1.12 -0.19 0.00 -1.00 0.00 0.00 55.97 53.66 3kc0 s LYS 71 Cb 0.00 -2.71 -0.03 0.00 -2.06 0.00 0.00 37.83 33.03 3kc0 s LYS 71 CO 0.00 -0.32 1.25 0.15 0.10 0.00 0.00 175.35 176.53 3kc0 s LYS 72 N -4.41 2.87 0.18 1.78 1.02 -1.26 -4.86 119.74 115.06 3kc0 s LYS 72 Ca 0.54 1.94 -0.13 0.00 0.02 0.00 0.00 55.97 58.34 3kc0 s LYS 72 Cb -0.10 -1.94 0.10 0.00 -0.52 0.00 0.00 37.83 35.37 3kc0 s LYS 72 CO 0.34 -1.31 1.83 1.25 -0.92 0.00 0.00 175.35 176.53 3kc0 h LEU 73 N 0.86 0.56 -0.73 3.17 5.85 -1.99 -1.57 115.31 121.46 3kc0 h LEU 73 Ca -0.51 -0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.17 3kc0 h LEU 73 Cb 1.31 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.18 3kc0 h LEU 73 CO 0.55 0.40 0.29 -2.24 -0.34 0.00 0.00 178.44 177.09 3kc0 h ASP 74 N 0.68 1.02 -0.09 1.25 -0.00 -1.93 0.12 116.42 117.47 3kc0 h ASP 74 Ca 0.22 -0.18 -0.00 0.00 -0.00 0.00 0.00 57.03 57.07 3kc0 h ASP 74 Cb -0.01 -0.26 -0.00 0.00 -0.00 0.00 0.00 39.33 39.05 3kc0 h ASP 74 CO -0.08 0.92 0.04 0.58 -0.00 0.00 0.00 179.24 180.70 3kc0 h VAL 75 N 1.06 1.11 -0.59 4.15 2.07 -1.87 -0.49 116.25 121.69 3kc0 h VAL 75 Ca 0.24 -0.32 0.02 0.00 0.82 0.00 0.00 66.70 67.46 3kc0 h VAL 75 Cb 0.22 1.16 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 3kc0 h VAL 75 CO -0.02 0.10 0.37 0.25 0.02 0.00 0.00 177.57 178.29 3kc0 h LEU 76 N 0.02 0.63 -0.72 2.57 5.85 -1.08 -0.32 115.31 122.26 3kc0 h LEU 76 Ca 0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3kc0 h LEU 76 Cb 0.12 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 3kc0 h LEU 76 CO -0.00 0.45 0.43 0.28 -0.34 0.00 0.00 178.44 179.25 3kc0 h SER 77 N 0.75 0.87 -0.64 1.25 0.02 -0.53 -0.46 113.55 114.81 3kc0 h SER 77 Ca 0.22 -0.07 -0.09 0.00 -0.84 0.00 0.00 61.79 61.01 3kc0 h SER 77 Cb -0.04 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 3kc0 h SER 77 CO -0.07 0.69 0.05 -1.13 -1.14 0.00 0.00 176.83 175.22 3kc0 h ASN 78 N 0.98 1.07 -0.71 3.07 -1.24 -0.64 -2.26 115.58 115.86 3kc0 h ASN 78 Ca 0.26 -0.29 -0.03 0.00 0.71 0.00 0.00 56.30 56.95 3kc0 h ASN 78 Cb -0.02 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 38.71 3kc0 h ASN 78 CO -0.05 1.09 0.32 0.44 -1.29 0.00 0.00 177.43 177.95 3kc0 h ASP 79 N 1.02 0.95 0.12 1.15 3.32 -0.44 -0.73 116.42 121.81 3kc0 h ASP 79 Ca 0.19 -0.15 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kc0 h ASP 79 Cb 0.52 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.82 3kc0 h ASP 79 CO 0.02 0.83 -0.06 -0.07 -1.72 0.00 0.00 179.24 178.25 3kc0 h LEU 80 N 1.00 -0.14 -0.20 1.55 3.38 -0.87 -0.01 115.31 120.02 3kc0 h LEU 80 Ca 0.24 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kc0 h LEU 80 Cb 0.15 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 3kc0 h LEU 80 CO -0.03 0.01 0.10 0.58 0.09 0.00 0.00 178.44 179.20 3kc0 h VAL 81 N -0.28 1.12 -0.07 1.22 2.07 -1.34 -0.35 116.25 118.63 3kc0 h VAL 81 Ca -0.02 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.20 3kc0 h VAL 81 Cb 0.23 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.93 3kc0 h VAL 81 CO 0.03 0.12 -0.19 0.24 0.02 0.00 0.00 177.57 177.78 3kc0 h MET 82 N 0.21 -0.27 -0.37 1.57 2.86 -1.08 0.56 114.93 118.41 3kc0 h MET 82 Ca 0.07 0.02 -0.11 0.00 -2.06 0.00 0.00 59.70 57.62 3kc0 h MET 82 Cb 0.09 0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.80 3kc0 h MET 82 CO -0.01 -0.18 -0.19 -0.97 1.06 0.00 0.00 176.91 176.63 3kc0 h ASN 83 N -0.28 0.80 -0.58 1.22 -0.73 -0.92 -0.70 115.58 114.40 3kc0 h ASN 83 Ca 0.08 -0.41 -0.06 0.00 1.87 0.00 0.00 56.30 57.78 3kc0 h ASN 83 Cb 0.38 -0.22 -0.03 0.00 0.27 0.00 0.00 38.32 38.73 3kc0 h ASN 83 CO -0.23 1.03 0.13 0.24 -0.37 0.00 0.00 177.43 178.24 3kc0 h MET 84 N 0.57 0.97 -0.10 6.67 2.86 -0.92 -0.87 114.93 124.12 3kc0 h MET 84 Ca 0.08 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.46 3kc0 h MET 84 Cb 0.74 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.26 3kc0 h MET 84 CO 0.06 0.88 -0.08 -0.07 1.06 0.00 0.00 176.91 178.76 3kc0 h LEU 85 N 0.93 0.24 -0.15 1.22 3.38 -0.80 -2.73 115.31 117.39 3kc0 h LEU 85 Ca 0.20 -0.46 0.03 0.00 0.09 0.00 0.00 57.88 57.74 3kc0 h LEU 85 Cb 0.35 -0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 3kc0 h LEU 85 CO 0.00 0.65 -0.05 0.11 0.09 0.00 0.00 178.44 179.24 3kc0 h LYS 86 N -0.16 -0.02 0.00 1.13 1.57 -1.01 -1.86 116.57 116.22 3kc0 h LYS 86 Ca 0.02 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3kc0 h LYS 86 Cb 0.57 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.88 3kc0 h LYS 86 CO 0.02 -0.01 0.00 -1.13 -0.57 0.00 0.00 179.45 177.76 3kc0 n SER 87 N -5.19 0.00 0.16 0.86 3.41 -0.34 -2.49 113.62 110.03 3kc0 n SER 87 Ca -0.03 -0.28 0.07 0.00 -0.26 0.00 0.00 58.87 58.37 3kc0 n SER 87 Cb 0.11 -0.07 0.07 0.00 -0.26 0.00 0.00 64.21 64.06 3kc0 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kc0 h SER 88 N 0.00 0.00 -0.54 4.04 4.64 -1.01 -3.47 113.55 117.21 3kc0 h SER 88 Ca 0.00 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.09 3kc0 h SER 88 Cb 0.03 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.03 3kc0 h SER 88 CO 0.00 0.23 -0.21 0.49 -0.87 0.00 0.00 176.83 176.47 3kc0 n PHE 89 N -3.06 0.00 0.33 4.77 3.01 -1.04 -4.79 117.46 116.68 3kc0 n PHE 89 Ca 0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.52 3kc0 n PHE 89 Cb 0.63 -2.17 0.04 0.00 -0.01 0.00 0.00 39.48 37.98 3kc0 n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kc0 n ALA 90 N 1.21 2.46 -2.46 4.37 0.00 -1.26 -3.38 120.51 121.44 3kc0 n ALA 90 Ca -0.11 -0.62 -0.23 0.00 0.00 0.00 0.00 53.44 52.48 3kc0 n ALA 90 Cb 0.40 -0.31 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 3kc0 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kc0 s THR 91 N -0.77 1.80 0.00 0.00 -4.23 -1.26 -1.16 115.64 110.02 3kc0 s THR 91 Ca 0.11 -2.14 0.00 0.00 -1.18 0.00 0.00 61.69 58.48 3kc0 s THR 91 Cb 0.08 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.39 3kc0 s THR 91 CO 0.11 -0.26 0.00 0.00 -0.54 0.00 0.00 174.62 173.94 3kc0 s VAL 93 N -0.80 0.46 -0.15 0.00 1.01 -1.25 -1.48 120.40 118.19 3kc0 s VAL 93 Ca 0.00 0.06 0.02 0.00 0.00 0.00 0.00 61.98 62.05 3kc0 s VAL 93 Cb 0.00 -0.58 0.01 0.00 0.00 0.00 0.00 36.38 35.80 3kc0 s VAL 93 CO 0.00 0.27 -0.19 -0.76 0.00 0.00 0.00 175.10 174.41 3kc0 s LEU 94 N 1.83 2.25 -0.16 3.92 1.43 -0.07 -1.38 118.68 126.50 3kc0 s LEU 94 Ca 0.03 -0.56 -0.00 0.00 -1.03 0.00 0.00 54.13 52.57 3kc0 s LEU 94 Cb -0.12 -1.49 -0.00 0.00 0.03 0.00 0.00 46.19 44.60 3kc0 s LEU 94 CO -0.05 0.08 -0.14 -0.69 0.23 0.00 0.00 176.35 175.77 3kc0 s VAL 95 N 0.85 2.71 0.03 -1.59 1.01 0.68 -0.12 120.40 123.97 3kc0 s VAL 95 Ca -0.06 -0.75 0.04 0.00 0.00 0.00 0.00 61.98 61.22 3kc0 s VAL 95 Cb -0.15 -2.15 -0.02 0.00 0.00 0.00 0.00 36.38 34.06 3kc0 s VAL 95 CO -0.02 0.51 -0.13 -0.55 0.00 0.00 0.00 175.10 174.91 3kc0 s SER 96 N 0.87 1.49 0.37 3.32 0.15 -1.26 -0.13 113.70 118.51 3kc0 s SER 96 Ca -0.04 -0.43 0.10 0.00 0.70 0.00 0.00 55.95 56.29 3kc0 s SER 96 Cb -0.15 -0.09 0.86 0.00 -1.71 0.00 0.00 66.02 64.93 3kc0 s SER 96 CO -0.01 0.02 1.88 1.05 1.20 0.00 0.00 173.24 177.38 3kc0 h GLU 97 N 5.02 0.62 -0.46 5.44 -0.00 -1.82 -2.16 114.58 121.22 3kc0 h GLU 97 Ca -0.37 -0.04 0.03 0.00 -0.00 0.00 0.00 59.36 58.99 3kc0 h GLU 97 Cb 1.18 -0.14 -0.03 0.00 -0.00 0.00 0.00 28.75 29.77 3kc0 h GLU 97 CO 0.44 0.41 0.31 0.93 -0.00 0.00 0.00 179.01 181.10 3kc0 h GLU 98 N 0.64 0.50 -5.92 1.06 4.39 -1.95 -3.43 114.58 109.86 3kc0 h GLU 98 Ca 0.43 -0.03 -0.68 0.00 0.34 0.00 0.00 59.36 59.42 3kc0 h GLU 98 Cb 0.74 -0.11 -0.15 0.00 -0.10 0.00 0.00 28.75 29.13 3kc0 h GLU 98 CO -0.19 0.33 -0.62 -0.51 -1.16 0.00 0.00 179.01 176.86 3kc0 s ASP 99 N -6.56 5.25 0.14 1.42 1.01 -0.81 -5.03 116.67 112.10 3kc0 s ASP 99 Ca -0.08 0.14 -0.13 0.00 0.71 0.00 0.00 52.55 53.19 3kc0 s ASP 99 Cb 0.18 -1.51 0.00 0.00 1.01 0.00 0.00 42.92 42.60 3kc0 s ASP 99 CO 0.74 0.37 1.58 0.50 0.21 0.00 0.00 175.17 178.56 3kc0 h LYS 100 N 5.26 0.84 -6.39 8.23 3.64 -1.84 -3.43 116.57 122.88 3kc0 h LYS 100 Ca -0.50 -0.28 -0.62 0.00 -1.27 0.00 0.00 60.65 57.98 3kc0 h LYS 100 Cb 1.19 -0.07 -0.12 0.00 -0.41 0.00 0.00 32.23 32.82 3kc0 h LYS 100 CO 0.55 0.90 -0.68 -1.01 -2.27 0.00 0.00 179.45 176.95 3kc0 s HIS 101 N -4.95 2.81 0.51 1.91 3.76 -1.26 -4.98 115.29 113.10 3kc0 s HIS 101 Ca -0.12 -0.14 -0.22 0.00 -0.15 0.00 0.00 55.06 54.42 3kc0 s HIS 101 Cb 0.11 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.35 3kc0 s HIS 101 CO 0.82 0.50 1.30 0.00 -0.85 0.00 0.00 174.74 176.51 3kc0 s ALA 102 N -1.60 2.89 -0.16 -1.40 0.00 -1.26 -4.85 121.76 115.37 3kc0 s ALA 102 Ca 0.26 1.21 -0.16 0.00 0.00 0.00 0.00 51.96 53.27 3kc0 s ALA 102 Cb -0.10 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kc0 s ALA 102 CO 0.17 -1.13 0.38 0.42 0.00 0.00 0.00 175.76 175.60 3kc0 s ILE 103 N -1.38 5.24 -0.31 0.00 1.09 0.83 -4.91 121.20 121.76 3kc0 s ILE 103 Ca 0.68 0.71 -0.13 0.00 -1.10 0.00 0.00 60.65 60.81 3kc0 s ILE 103 Cb -0.37 -3.71 -0.03 0.00 -1.06 0.00 0.00 42.46 37.29 3kc0 s ILE 103 CO 0.44 0.33 0.27 -0.63 -0.10 0.00 0.00 174.94 175.25 3kc0 s ILE 104 N 0.78 5.25 0.28 2.92 -1.09 -1.26 -0.89 121.20 127.19 3kc0 s ILE 104 Ca 0.20 0.08 -0.30 0.00 -2.23 0.00 0.00 60.65 58.40 3kc0 s ILE 104 Cb -0.14 -3.67 -0.12 0.00 -1.58 0.00 0.00 42.46 36.95 3kc0 s ILE 104 CO 0.07 0.08 1.64 0.52 -1.23 0.00 0.00 174.94 176.02 3kc0 n VAL 105 N 5.12 0.81 -1.64 2.92 0.31 -0.55 -4.93 118.33 120.37 3kc0 n VAL 105 Ca -0.12 -0.20 -0.38 0.00 -0.01 0.00 0.00 64.34 63.63 3kc0 n VAL 105 Cb 0.51 -2.00 0.05 0.00 -0.91 0.00 0.00 33.84 31.49 3kc0 n VAL 105 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 3kc0 n GLU 106 N 2.55 1.08 -0.29 5.55 0.28 -1.26 -4.75 120.64 123.80 3kc0 n GLU 106 Ca 0.10 0.41 0.11 0.00 -0.16 0.00 0.00 57.16 57.62 3kc0 n GLU 106 Cb 0.37 -2.25 0.26 0.00 1.43 0.00 0.00 31.44 31.25 3kc0 n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.16 0.00 0.00 177.13 175.62 3kc0 h PRO 107 N 0.74 0.25 0.00 3.44 0.11 -1.99 -1.83 132.00 132.72 3kc0 h PRO 107 Ca -0.49 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3kc0 h PRO 107 Cb 1.35 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kc0 h PRO 107 CO 0.53 0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.87 3kc0 n GLU 108 N -5.18 0.61 -0.09 1.05 1.02 -1.26 -2.95 120.64 113.84 3kc0 n GLU 108 Ca 0.20 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.34 3kc0 n GLU 108 Cb 0.62 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 30.68 3kc0 n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kc0 n LYS 109 N -0.87 0.87 -2.44 3.49 5.02 -0.70 -5.06 118.16 118.47 3kc0 n LYS 109 Ca 0.11 -1.02 -0.39 0.00 -2.02 0.00 0.00 58.31 54.98 3kc0 n LYS 109 Cb 0.05 -0.72 -0.04 0.00 -0.02 0.00 0.00 35.03 34.31 3kc0 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kc0 s ARG 110 N -0.51 4.47 0.39 1.97 0.52 -1.15 -3.89 118.95 120.75 3kc0 s ARG 110 Ca 0.03 1.78 0.02 0.00 -0.52 0.00 0.00 55.73 57.04 3kc0 s ARG 110 Cb 0.02 -3.00 -0.01 0.00 0.52 0.00 0.00 34.95 32.48 3kc0 s ARG 110 CO 0.00 0.06 0.08 0.41 0.02 0.00 0.00 175.30 175.87 3kc0 n GLY 111 N 0.95 3.47 0.68 -3.53 0.00 0.38 -4.66 105.19 102.47 3kc0 n GLY 111 Ca 0.01 -2.19 0.12 0.00 0.00 0.00 0.00 46.02 43.95 3kc0 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kc0 n LYS 112 N -0.92 1.90 -3.97 1.61 2.85 -1.15 -3.44 118.16 115.04 3kc0 n LYS 112 Ca -0.10 -1.34 -0.30 0.00 -1.05 0.00 0.00 58.31 55.52 3kc0 n LYS 112 Cb 0.54 -1.44 -0.05 0.00 -0.65 0.00 0.00 35.03 33.43 3kc0 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kc0 s TYR 113 N -1.81 3.39 -0.06 5.58 2.02 -0.31 -0.09 117.35 126.07 3kc0 s TYR 113 Ca 0.34 0.16 0.04 0.00 -0.37 0.00 0.00 57.07 57.24 3kc0 s TYR 113 Cb 0.19 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 40.05 3kc0 s TYR 113 CO 0.29 0.55 -0.18 0.08 -1.57 0.00 0.00 175.55 174.73 3kc0 s VAL 114 N -1.53 2.70 -0.05 0.71 1.01 0.07 -1.31 120.40 122.00 3kc0 s VAL 114 Ca 0.33 -0.84 0.02 0.00 0.00 0.00 0.00 61.98 61.49 3kc0 s VAL 114 Cb -0.12 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.23 3kc0 s VAL 114 CO 0.26 0.57 -0.10 -0.69 0.00 0.00 0.00 175.10 175.14 3kc0 s VAL 115 N -0.40 0.95 -0.08 2.92 1.01 -0.48 -1.07 120.40 123.26 3kc0 s VAL 115 Ca 0.04 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.64 3kc0 s VAL 115 Cb -0.12 -0.87 -0.02 0.00 0.00 0.00 0.00 36.38 35.37 3kc0 s VAL 115 CO 0.02 0.31 -0.16 0.00 0.00 0.00 0.00 175.10 175.27 3kc0 s PHE 117 N -0.20 -0.53 -0.31 0.00 -0.71 0.81 -0.52 117.98 116.53 3kc0 s PHE 117 Ca -0.00 0.37 -0.01 0.00 -1.04 0.00 0.00 56.93 56.25 3kc0 s PHE 117 Cb -0.13 0.55 0.06 0.00 -1.21 0.00 0.00 43.02 42.29 3kc0 s PHE 117 CO 0.03 -0.81 0.00 0.34 -1.34 0.00 0.00 175.22 173.44 3kc0 s ASP 118 N -2.63 4.83 0.30 1.98 -1.08 -0.58 -2.11 116.67 117.38 3kc0 s ASP 118 Ca 0.01 -1.43 0.03 0.00 -0.52 0.00 0.00 52.55 50.63 3kc0 s ASP 118 Cb -0.01 -1.69 0.60 0.00 -1.46 0.00 0.00 42.92 40.36 3kc0 s ASP 118 CO -0.11 -0.28 1.86 -0.65 0.52 0.00 0.00 175.17 176.50 3kc0 h PRO 119 N 7.93 0.92 -1.87 4.34 0.11 -1.88 -2.62 132.00 138.94 3kc0 h PRO 119 Ca -0.19 -0.06 -0.33 0.00 0.11 0.00 0.00 66.00 65.54 3kc0 h PRO 119 Cb 1.05 -0.21 -0.30 0.00 0.11 0.00 0.00 31.00 31.65 3kc0 h PRO 119 CO 0.53 0.61 -0.66 -1.17 -0.21 0.00 0.00 178.00 177.11 3kc0 s LEU 120 N -10.10 -0.23 0.20 2.35 2.96 -1.25 -4.48 118.68 108.13 3kc0 s LEU 120 Ca -0.11 -1.40 -0.30 0.00 -0.22 0.00 0.00 54.13 52.10 3kc0 s LEU 120 Cb 0.22 0.70 -0.08 0.00 0.50 0.00 0.00 46.19 47.53 3kc0 s LEU 120 CO 0.80 -0.26 1.08 -0.62 -1.32 0.00 0.00 176.35 176.03 3kc0 s ASP 121 N 1.58 7.31 0.00 3.68 2.15 0.31 -2.97 116.67 128.73 3kc0 s ASP 121 Ca 0.16 2.10 0.00 0.00 0.43 0.00 0.00 52.55 55.24 3kc0 s ASP 121 Cb -0.14 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.87 3kc0 s ASP 121 CO -0.07 -0.16 0.00 0.61 -0.17 0.00 0.00 175.17 175.38 3kc0 n GLY 122 N 1.81 0.70 0.32 2.66 0.00 -1.26 -2.06 105.19 107.36 3kc0 n GLY 122 Ca 0.01 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.22 3kc0 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc0 h SER 123 N 0.00 0.00 0.07 1.61 4.64 -1.89 -2.14 113.55 115.84 3kc0 h SER 123 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 3kc0 h SER 123 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 3kc0 h SER 123 CO 0.00 0.00 -0.23 0.77 -0.87 0.00 0.00 176.83 176.50 3kc0 h SER 124 N 0.00 0.27 -0.49 4.97 4.64 -1.91 -2.95 113.55 118.08 3kc0 h SER 124 Ca 0.01 -0.08 -0.30 0.00 -0.47 0.00 0.00 61.79 60.95 3kc0 h SER 124 Cb 0.08 -0.07 -0.19 0.00 -0.31 0.00 0.00 62.40 61.91 3kc0 h SER 124 CO -0.00 0.52 -0.12 -3.20 -0.87 0.00 0.00 176.83 173.15 3kc0 n ASN 125 N -4.17 3.44 0.22 4.97 5.15 -0.81 -4.66 115.26 119.38 3kc0 n ASN 125 Ca -0.01 -3.79 0.10 0.00 -0.60 0.00 0.00 54.58 50.28 3kc0 n ASN 125 Cb 0.35 -0.62 0.36 0.00 -0.53 0.00 0.00 39.78 39.35 3kc0 n ASN 125 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3kc0 h ILE 126 N 1.22 0.43 0.00 -1.44 6.09 -1.43 -3.23 117.51 119.15 3kc0 h ILE 126 Ca 0.29 -1.21 0.00 0.00 -1.37 0.00 0.00 64.86 62.57 3kc0 h ILE 126 Cb 1.56 1.89 0.00 0.00 0.47 0.00 0.00 36.82 40.74 3kc0 h ILE 126 CO 0.59 0.20 0.03 0.44 -3.07 0.00 0.00 178.15 176.33 3kc0 h ASP 127 N 0.00 0.00 -0.39 2.19 5.19 -1.83 0.79 116.42 122.37 3kc0 h ASP 127 Ca -0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kc0 h ASP 127 Cb 0.87 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.38 3kc0 h ASP 127 CO 0.03 0.00 0.00 0.00 -3.12 0.00 0.00 179.24 176.15 3kc0 n LEU 129 N 1.38 -1.05 -4.75 0.00 4.77 0.27 -4.99 117.00 112.62 3kc0 n LEU 129 Ca 0.18 0.24 -0.32 0.00 -0.03 0.00 0.00 56.01 56.08 3kc0 n LEU 129 Cb 0.57 -1.92 0.08 0.00 -2.33 0.00 0.00 43.42 39.83 3kc0 n LEU 129 CO 0.15 -0.53 0.72 0.54 -1.33 0.00 0.00 177.39 176.93 3kc0 s VAL 130 N -2.50 3.06 0.61 4.08 0.11 -1.26 -4.95 120.40 119.55 3kc0 s VAL 130 Ca 0.00 0.41 -0.19 0.00 -2.93 0.00 0.00 61.98 59.27 3kc0 s VAL 130 Cb 0.00 -2.87 -0.03 0.00 -1.53 0.00 0.00 36.38 31.95 3kc0 s VAL 130 CO 0.00 -0.38 1.15 -1.20 -3.33 0.00 0.00 175.10 171.33 3kc0 n SER 131 N -3.13 1.55 -4.14 3.54 7.64 -1.26 -4.87 113.62 112.96 3kc0 n SER 131 Ca 0.10 0.84 -0.10 0.00 1.01 0.00 0.00 58.87 60.73 3kc0 n SER 131 Cb 0.52 -1.48 -0.10 0.00 -1.01 0.00 0.00 64.21 62.15 3kc0 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kc0 s VAL 132 N -1.43 0.08 0.38 0.44 -7.23 -1.22 -4.75 120.40 106.67 3kc0 s VAL 132 Ca 0.78 -1.86 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 3kc0 s VAL 132 Cb -0.41 -2.11 0.06 0.00 0.56 0.00 0.00 36.38 34.48 3kc0 s VAL 132 CO 0.45 -0.35 0.77 0.61 -0.31 0.00 0.00 175.10 176.27 3kc0 n GLY 133 N -0.14 1.01 3.04 2.32 0.00 -0.87 -0.53 105.19 110.01 3kc0 n GLY 133 Ca -0.04 -1.25 -0.29 0.00 0.00 0.00 0.00 46.02 44.44 3kc0 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc0 s THR 134 N -2.13 1.49 -0.00 2.61 2.01 -0.35 0.11 115.64 119.37 3kc0 s THR 134 Ca 0.15 -0.62 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3kc0 s THR 134 Cb -0.05 -1.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.05 3kc0 s THR 134 CO 0.11 0.44 -0.01 -0.63 -0.69 0.00 0.00 174.62 173.85 3kc0 s ILE 135 N 1.16 4.11 -0.02 1.82 1.01 -0.99 -0.28 121.20 128.02 3kc0 s ILE 135 Ca -0.03 -0.60 -0.13 0.00 0.00 0.00 0.00 60.65 59.88 3kc0 s ILE 135 Cb -0.14 -2.83 0.02 0.00 0.01 0.00 0.00 42.46 39.52 3kc0 s ILE 135 CO -0.04 0.39 0.28 0.72 0.00 0.00 0.00 174.94 176.29 3kc0 s PHE 136 N -1.07 -0.15 -0.02 3.97 -0.12 -0.39 -1.53 117.98 118.66 3kc0 s PHE 136 Ca 0.19 0.23 0.00 0.00 -0.05 0.00 0.00 56.93 57.30 3kc0 s PHE 136 Cb -0.11 0.08 0.02 0.00 -0.63 0.00 0.00 43.02 42.37 3kc0 s PHE 136 CO 0.10 -0.36 0.00 0.20 -0.05 0.00 0.00 175.22 175.11 3kc0 s GLY 137 N -1.27 0.19 -0.15 1.99 0.00 0.33 -1.89 107.32 106.52 3kc0 s GLY 137 Ca -0.13 0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.76 3kc0 s GLY 137 CO 0.04 0.53 -0.15 -0.42 0.00 0.00 0.00 173.10 173.10 3kc0 s ILE 138 N 0.89 2.67 0.30 0.90 1.01 0.51 -1.39 121.20 126.09 3kc0 s ILE 138 Ca -0.09 -0.77 0.11 0.00 0.00 0.00 0.00 60.65 59.90 3kc0 s ILE 138 Cb -0.12 -2.13 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3kc0 s ILE 138 CO -0.02 0.52 -0.14 -0.31 0.00 0.00 0.00 174.94 174.99 3kc0 s TYR 139 N 0.79 2.39 -0.15 3.97 1.51 -0.23 -0.14 117.35 125.49 3kc0 s TYR 139 Ca -0.06 -0.36 -0.09 0.00 -1.01 0.00 0.00 57.07 55.55 3kc0 s TYR 139 Cb -0.15 -1.14 -0.05 0.00 -0.11 0.00 0.00 41.96 40.51 3kc0 s TYR 139 CO 0.00 0.66 0.16 0.50 -1.11 0.00 0.00 175.55 175.76 3kc0 s ARG 140 N -3.57 3.82 0.04 -0.62 3.52 -1.26 -0.75 118.95 120.13 3kc0 s ARG 140 Ca 0.31 -0.13 -0.30 0.00 -0.13 0.00 0.00 55.73 55.48 3kc0 s ARG 140 Cb -0.03 -3.30 -0.08 0.00 -1.56 0.00 0.00 34.95 29.98 3kc0 s ARG 140 CO 0.16 0.55 1.77 0.21 -0.81 0.00 0.00 175.30 177.18 3kc0 s LYS 141 N -0.37 4.17 -0.10 5.12 2.20 0.87 -4.86 119.74 126.77 3kc0 s LYS 141 Ca 0.13 2.42 -0.02 0.00 -0.36 0.00 0.00 55.97 58.14 3kc0 s LYS 141 Cb -0.12 -3.84 -0.01 0.00 -1.51 0.00 0.00 37.83 32.35 3kc0 s LYS 141 CO 0.02 -0.84 -0.04 -0.22 -0.36 0.00 0.00 175.35 173.91 3kc0 h LYS 142 N 9.27 0.00 -6.14 4.03 3.64 -1.90 -3.48 116.57 121.99 3kc0 h LYS 142 Ca -0.44 0.00 -0.38 0.00 -1.27 0.00 0.00 60.65 58.56 3kc0 h LYS 142 Cb 1.21 0.00 0.20 0.00 -0.41 0.00 0.00 32.23 33.23 3kc0 h LYS 142 CO 0.94 0.00 -1.45 -1.13 -2.27 0.00 0.00 179.45 175.55 3kc0 n SER 143 N -4.52 -2.68 0.00 4.20 3.41 -1.26 -4.98 113.62 107.79 3kc0 n SER 143 Ca -0.02 -0.12 0.00 0.00 -0.26 0.00 0.00 58.87 58.47 3kc0 n SER 143 Cb 0.06 -0.71 0.00 0.00 -0.26 0.00 0.00 64.21 63.31 3kc0 n SER 143 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3kc0 n THR 144 N -3.95 0.52 -2.23 6.66 -1.04 -1.26 -5.06 114.28 107.92 3kc0 n THR 144 Ca 0.01 -0.72 -0.04 0.00 -2.04 0.00 0.00 64.05 61.26 3kc0 n THR 144 Cb 0.56 0.78 0.02 0.00 -1.82 0.00 0.00 70.33 69.87 3kc0 n THR 144 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3kc0 n ASP 145 N -0.26 0.24 -4.74 8.00 5.75 -1.26 -5.03 116.55 119.24 3kc0 n ASP 145 Ca 0.00 -1.20 -0.41 0.00 -0.01 0.00 0.00 54.79 53.16 3kc0 n ASP 145 Cb 0.16 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.10 3kc0 n ASP 145 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3kc0 s GLU 146 N -2.94 4.36 0.27 0.11 2.12 -1.26 -4.91 118.70 116.44 3kc0 s GLU 146 Ca 0.13 2.14 -0.30 0.00 0.36 0.00 0.00 54.97 57.30 3kc0 s GLU 146 Cb -0.01 -3.15 -0.13 0.00 0.26 0.00 0.00 34.13 31.10 3kc0 s GLU 146 CO 0.08 -0.28 1.37 -2.30 -0.54 0.00 0.00 175.26 173.60 3kc0 n PRO 147 N 2.24 2.06 -3.95 4.30 -0.02 -1.26 -4.98 135.00 133.39 3kc0 n PRO 147 Ca 0.05 0.73 -0.10 0.00 -2.02 0.00 0.00 63.50 62.16 3kc0 n PRO 147 Cb 0.42 -2.36 -0.03 0.00 -0.02 0.00 0.00 33.50 31.51 3kc0 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kc0 s SER 148 N 0.11 0.13 0.58 2.55 1.04 -1.26 -4.99 113.70 111.86 3kc0 s SER 148 Ca 0.64 -1.05 0.28 0.00 0.48 0.00 0.00 55.95 56.30 3kc0 s SER 148 Cb -0.62 0.69 1.59 0.00 0.10 0.00 0.00 66.02 67.78 3kc0 s SER 148 CO 0.53 -1.34 2.07 -0.08 0.98 0.00 0.00 173.24 175.40 3kc0 h GLU 149 N 2.12 0.00 -0.11 4.02 4.81 -1.93 -0.91 114.58 122.57 3kc0 h GLU 149 Ca -0.27 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 58.99 3kc0 h GLU 149 Cb 1.25 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 30.62 3kc0 h GLU 149 CO 0.35 0.00 0.09 0.87 -0.73 0.00 0.00 179.01 179.59 3kc0 h LYS 150 N 0.00 0.00 0.00 1.92 1.79 -1.96 -1.54 116.57 116.78 3kc0 h LYS 150 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3kc0 h LYS 150 Cb 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3kc0 h LYS 150 CO -0.00 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.12 3kc0 n ASP 151 N -4.35 0.10 -0.46 0.86 8.00 -0.35 -1.99 116.55 118.36 3kc0 n ASP 151 Ca -0.00 0.52 0.11 0.00 0.71 0.00 0.00 54.79 56.13 3kc0 n ASP 151 Cb 0.20 -0.54 0.08 0.00 -0.02 0.00 0.00 41.12 40.83 3kc0 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc0 n ALA 152 N -1.54 3.44 -2.18 2.24 0.00 -0.58 -4.57 120.51 117.32 3kc0 n ALA 152 Ca 0.04 -0.60 -0.41 0.00 0.00 0.00 0.00 53.44 52.47 3kc0 n ALA 152 Cb 0.20 -0.86 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kc0 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc0 n LEU 153 N -0.10 7.68 -4.52 0.00 4.77 -0.84 -4.94 117.00 119.05 3kc0 n LEU 153 Ca 0.10 -4.94 -0.30 0.00 -0.03 0.00 0.00 56.01 50.84 3kc0 n LEU 153 Cb 0.45 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 3kc0 n LEU 153 CO 0.27 1.95 -0.47 -1.10 -1.33 0.00 0.00 177.39 176.72 3kc0 s GLN 154 N -1.48 1.91 0.41 3.23 -0.21 -1.26 -4.69 119.66 117.56 3kc0 s GLN 154 Ca 0.49 -1.12 -0.25 0.00 0.02 0.00 0.00 55.36 54.50 3kc0 s GLN 154 Cb 0.17 -2.18 -0.08 0.00 1.00 0.00 0.00 33.01 31.91 3kc0 s GLN 154 CO -0.08 0.49 1.14 -1.25 -2.12 0.00 0.00 175.29 173.47 3kc0 s PRO 155 N -2.17 4.05 0.56 2.91 0.04 -1.26 -4.65 135.00 134.48 3kc0 s PRO 155 Ca 0.19 1.74 0.38 0.00 0.04 0.00 0.00 61.00 63.36 3kc0 s PRO 155 Cb -0.11 -2.61 1.51 0.00 0.04 0.00 0.00 34.50 33.33 3kc0 s PRO 155 CO 0.11 -0.30 1.69 0.78 0.04 0.00 0.00 177.00 179.33 3kc0 h GLY 156 N 2.54 0.00 1.37 0.56 0.00 -1.46 0.24 103.07 106.32 3kc0 h GLY 156 Ca -0.49 0.00 0.02 0.00 0.00 0.00 0.00 47.33 46.87 3kc0 h GLY 156 CO 0.62 0.00 0.29 -0.09 0.00 0.00 0.00 176.54 177.37 3kc0 h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.42 -0.30 114.38 127.10 3kc0 h ARG 157 Ca 0.61 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.49 3kc0 h ARG 157 Cb 2.63 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.21 3kc0 h ARG 157 CO -0.01 0.00 -0.12 0.09 2.80 0.00 0.00 179.97 182.73 3kc0 n ASN 158 N -3.11 1.34 -4.67 -3.80 5.03 0.85 -4.96 115.26 105.94 3kc0 n ASN 158 Ca -0.01 -1.24 -0.44 0.00 0.87 0.00 0.00 54.58 53.76 3kc0 n ASN 158 Cb 0.37 0.07 -0.02 0.00 -1.02 0.00 0.00 39.78 39.18 3kc0 n ASN 158 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3kc0 n LEU 159 N -0.16 3.04 -0.04 3.41 4.77 -0.12 -4.59 117.00 123.30 3kc0 n LEU 159 Ca 0.16 1.17 -0.03 0.00 -0.03 0.00 0.00 56.01 57.27 3kc0 n LEU 159 Cb 0.36 -1.42 -0.14 0.00 -2.33 0.00 0.00 43.42 39.89 3kc0 n LEU 159 CO 0.21 -0.63 -0.75 0.52 -1.33 0.00 0.00 177.39 175.41 3kc0 n VAL 160 N 1.17 1.10 -3.54 4.08 0.31 0.80 -4.95 118.33 117.31 3kc0 n VAL 160 Ca 0.09 -0.74 -0.10 0.00 -0.01 0.00 0.00 64.34 63.59 3kc0 n VAL 160 Cb 0.33 -0.53 -0.04 0.00 -0.91 0.00 0.00 33.84 32.69 3kc0 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kc0 s ALA 161 N -2.82 -1.88 -0.04 3.52 0.00 -1.18 -4.28 121.76 115.09 3kc0 s ALA 161 Ca -0.07 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 3kc0 s ALA 161 Cb 0.08 -0.10 0.11 0.00 0.00 0.00 0.00 23.12 23.21 3kc0 s ALA 161 CO 0.84 -0.51 0.98 0.00 0.00 0.00 0.00 175.76 177.07 3kc0 s ALA 162 N -2.14 -1.88 0.00 0.00 0.00 -0.27 -0.36 121.76 117.11 3kc0 s ALA 162 Ca 0.01 1.09 0.00 0.00 0.00 0.00 0.00 51.96 53.07 3kc0 s ALA 162 Cb -0.01 0.30 0.00 0.00 0.00 0.00 0.00 23.12 23.41 3kc0 s ALA 162 CO -0.03 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3kc0 n GLY 163 N -0.23 -0.92 3.56 0.00 0.00 -0.79 -0.16 105.19 106.66 3kc0 n GLY 163 Ca -0.06 -0.99 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3kc0 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kc0 s TYR 164 N -3.00 0.11 -0.16 1.61 1.13 -0.69 -1.26 117.35 115.09 3kc0 s TYR 164 Ca 0.00 -0.48 0.01 0.00 -1.41 0.00 0.00 57.07 55.20 3kc0 s TYR 164 Cb 0.00 0.30 0.01 0.00 -1.10 0.00 0.00 41.96 41.17 3kc0 s TYR 164 CO 0.00 -0.96 -0.19 0.00 -2.51 0.00 0.00 175.55 171.89 3kc0 s ALA 165 N -3.94 2.36 -0.25 9.51 0.00 0.61 -0.30 121.76 129.76 3kc0 s ALA 165 Ca 0.15 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 3kc0 s ALA 165 Cb -0.01 -1.14 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 3kc0 s ALA 165 CO 0.03 -0.13 0.12 -1.17 0.00 0.00 0.00 175.76 174.60 3kc0 s LEU 166 N 0.97 3.77 -1.08 0.00 2.96 0.26 -1.21 118.68 124.36 3kc0 s LEU 166 Ca -0.03 -0.05 -0.06 0.00 -0.22 0.00 0.00 54.13 53.77 3kc0 s LEU 166 Cb -0.15 -2.01 0.29 0.00 0.50 0.00 0.00 46.19 44.82 3kc0 s LEU 166 CO -0.04 0.01 1.31 -1.22 -1.32 0.00 0.00 176.35 175.08 3kc0 n TYR 167 N 4.63 3.51 0.00 5.38 4.01 0.31 -1.14 117.16 133.87 3kc0 n TYR 167 Ca -0.15 -3.18 0.00 0.00 -0.16 0.00 0.00 57.90 54.41 3kc0 n TYR 167 Cb 0.52 -1.41 0.00 0.00 -0.31 0.00 0.00 39.34 38.14 3kc0 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc0 n GLY 168 N 1.86 2.12 0.27 2.72 0.00 -1.26 -3.37 105.19 107.53 3kc0 n GLY 168 Ca 0.25 -1.04 0.08 0.00 0.00 0.00 0.00 46.02 45.31 3kc0 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc0 h SER 169 N 0.00 0.07 -4.94 1.61 4.64 -2.00 -3.42 113.55 109.51 3kc0 h SER 169 Ca 0.00 -0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.12 3kc0 h SER 169 Cb 0.00 -0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 61.92 3kc0 h SER 169 CO 0.00 0.05 -0.68 0.00 -0.87 0.00 0.00 176.83 175.33 3kc0 s ALA 170 N -5.13 0.88 -0.23 5.18 0.00 -1.26 -5.14 121.76 116.06 3kc0 s ALA 170 Ca -0.05 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.41 3kc0 s ALA 170 Cb 0.17 0.40 -0.05 0.00 0.00 0.00 0.00 23.12 23.64 3kc0 s ALA 170 CO 0.68 -0.34 0.22 0.99 0.00 0.00 0.00 175.76 177.31 3kc0 s THR 171 N -3.80 5.32 0.02 0.00 2.01 -1.26 -4.49 115.64 113.44 3kc0 s THR 171 Ca 0.15 0.32 0.04 0.00 0.31 0.00 0.00 61.69 62.51 3kc0 s THR 171 Cb 0.07 -3.56 -0.02 0.00 0.01 0.00 0.00 72.50 69.00 3kc0 s THR 171 CO -0.04 0.33 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.78 3kc0 s MET 172 N 1.07 0.91 -0.20 4.92 -2.45 -0.29 -0.78 119.30 122.47 3kc0 s MET 172 Ca 0.10 -0.63 -0.00 0.00 -1.25 0.00 0.00 55.69 53.91 3kc0 s MET 172 Cb -0.14 -0.89 0.01 0.00 1.25 0.00 0.00 34.83 35.07 3kc0 s MET 172 CO 0.05 0.23 -0.14 -1.17 1.05 0.00 0.00 175.02 175.03 3kc0 s LEU 173 N -0.84 2.44 -0.30 4.11 0.20 -0.26 0.93 118.68 124.96 3kc0 s LEU 173 Ca 0.02 -0.61 -0.12 0.00 0.69 0.00 0.00 54.13 54.11 3kc0 s LEU 173 Cb -0.07 -1.57 -0.04 0.00 -0.43 0.00 0.00 46.19 44.09 3kc0 s LEU 173 CO 0.01 -0.02 0.24 -0.69 -0.29 0.00 0.00 176.35 175.60 3kc0 s VAL 174 N 1.34 5.28 -0.18 1.68 1.01 0.59 -1.57 120.40 128.56 3kc0 s VAL 174 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 61.98 62.14 3kc0 s VAL 174 Cb -0.14 -3.62 -0.00 0.00 0.00 0.00 0.00 36.38 32.62 3kc0 s VAL 174 CO -0.10 0.15 -0.12 -0.22 0.00 0.00 0.00 175.10 174.81 3kc0 s LEU 175 N 1.81 2.57 -0.12 3.92 2.96 -0.25 -1.70 118.68 127.87 3kc0 s LEU 175 Ca 0.08 -0.46 0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3kc0 s LEU 175 Cb -0.16 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 44.91 3kc0 s LEU 175 CO 0.11 0.05 -0.16 0.00 -1.32 0.00 0.00 176.35 175.02 3kc0 s ALA 176 N 1.06 2.50 0.36 5.97 0.00 0.78 -1.12 121.76 131.31 3kc0 s ALA 176 Ca -0.00 -0.91 0.07 0.00 0.00 0.00 0.00 51.96 51.11 3kc0 s ALA 176 Cb -0.15 -1.11 -0.03 0.00 0.00 0.00 0.00 23.12 21.84 3kc0 s ALA 176 CO -0.03 0.25 0.25 -1.64 0.00 0.00 0.00 175.76 174.60 3kc0 s MET 177 N 0.36 1.85 0.45 0.00 -1.94 -0.39 -1.11 119.30 118.51 3kc0 s MET 177 Ca -0.13 -2.09 0.22 0.00 -1.71 0.00 0.00 55.69 51.98 3kc0 s MET 177 Cb -0.16 0.10 1.22 0.00 2.01 0.00 0.00 34.83 37.99 3kc0 s MET 177 CO 0.06 -0.63 1.85 0.22 -0.01 0.00 0.00 175.02 176.51 3kc0 h ASP 178 N 2.00 0.29 -0.04 3.03 3.58 -1.93 0.07 116.42 123.42 3kc0 h ASP 178 Ca -0.27 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.22 3kc0 h ASP 178 Cb 1.24 -0.01 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3kc0 h ASP 178 CO 0.40 0.10 0.00 0.00 -2.88 0.00 0.00 179.24 176.86 3kc0 n GLY 180 N 0.98 0.53 3.40 0.00 0.00 0.01 -4.95 105.19 105.17 3kc0 n GLY 180 Ca 0.18 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 3kc0 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc0 s VAL 181 N -0.77 3.06 -0.00 1.61 1.01 -1.26 -1.26 120.40 122.78 3kc0 s VAL 181 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kc0 s VAL 181 Cb 0.00 -2.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3kc0 s VAL 181 CO 0.00 0.55 -0.12 0.20 0.00 0.00 0.00 175.10 175.73 3kc0 s ASN 182 N 0.01 1.37 -0.12 3.32 -0.87 -0.27 -0.55 114.94 117.83 3kc0 s ASN 182 Ca -0.04 -0.25 -0.01 0.00 -1.57 0.00 0.00 52.86 50.99 3kc0 s ASN 182 Cb -0.14 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.25 40.93 3kc0 s ASN 182 CO 0.04 0.12 -0.08 0.00 -2.57 0.00 0.00 177.10 174.61 3kc0 s PHE 184 N 0.07 2.48 -0.09 0.00 0.40 -0.61 -0.90 117.98 119.34 3kc0 s PHE 184 Ca -0.03 -0.90 -0.13 0.00 -0.60 0.00 0.00 56.93 55.27 3kc0 s PHE 184 Cb -0.14 -1.65 -0.05 0.00 0.51 0.00 0.00 43.02 41.69 3kc0 s PHE 184 CO 0.03 -0.33 0.30 1.41 0.70 0.00 0.00 175.22 177.33 3kc0 s MET 185 N 0.13 3.95 -0.32 0.44 1.75 0.67 -1.10 119.30 124.82 3kc0 s MET 185 Ca -0.12 0.16 -0.23 0.00 -1.25 0.00 0.00 55.69 54.24 3kc0 s MET 185 Cb -0.16 -3.30 0.00 0.00 2.84 0.00 0.00 34.83 34.21 3kc0 s MET 185 CO 0.07 0.52 0.79 -1.17 -0.65 0.00 0.00 175.02 174.58 3kc0 s LEU 186 N -0.41 4.09 -0.65 4.11 2.96 0.04 0.35 118.68 129.16 3kc0 s LEU 186 Ca 0.19 0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 54.45 3kc0 s LEU 186 Cb -0.14 -3.07 0.07 0.00 0.50 0.00 0.00 46.19 43.55 3kc0 s LEU 186 CO 0.07 -0.66 0.94 -0.62 -1.32 0.00 0.00 176.35 174.76 3kc0 s ASP 187 N 1.69 6.18 0.53 3.68 -1.08 -0.24 -4.66 116.67 122.77 3kc0 s ASP 187 Ca 0.32 -1.01 0.27 0.00 -0.52 0.00 0.00 52.55 51.61 3kc0 s ASP 187 Cb -0.14 -2.41 1.42 0.00 -1.46 0.00 0.00 42.92 40.33 3kc0 s ASP 187 CO 0.14 -1.41 1.97 -0.65 0.52 0.00 0.00 175.17 175.75 3kc0 h PRO 188 N 9.53 0.00 -0.72 4.34 0.11 -1.94 0.22 132.00 143.53 3kc0 h PRO 188 Ca -0.29 0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.83 3kc0 h PRO 188 Cb 1.07 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.15 3kc0 h PRO 188 CO 1.17 0.00 0.48 0.00 -0.21 0.00 0.00 178.00 179.44 3kc0 h ALA 189 N 1.70 1.49 0.00 -0.75 0.00 -1.97 -3.25 119.26 116.48 3kc0 h ALA 189 Ca 0.28 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3kc0 h ALA 189 Cb 1.15 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.65 3kc0 h ALA 189 CO -0.00 0.47 0.00 0.44 0.00 0.00 0.00 179.25 180.16 3kc0 n ILE 190 N -4.43 0.55 -3.78 0.00 -5.35 -0.79 -5.02 119.36 100.54 3kc0 n ILE 190 Ca 0.08 -0.62 -0.23 0.00 -0.27 0.00 0.00 62.75 61.71 3kc0 n ILE 190 Cb 0.04 0.79 0.01 0.00 -1.74 0.00 0.00 39.64 38.74 3kc0 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kc0 n GLY 191 N -0.27 -0.28 3.02 3.28 0.00 0.70 -4.99 105.19 106.66 3kc0 n GLY 191 Ca 0.00 0.14 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 3kc0 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kc0 s GLU 192 N -6.16 1.08 -0.46 1.61 2.56 -1.18 -4.97 118.70 111.19 3kc0 s GLU 192 Ca 0.01 -0.35 -0.25 0.00 0.00 0.00 0.00 54.97 54.38 3kc0 s GLU 192 Cb -0.00 -1.00 0.03 0.00 2.00 0.00 0.00 34.13 35.16 3kc0 s GLU 192 CO 0.84 0.13 0.90 -0.06 -0.56 0.00 0.00 175.26 176.51 3kc0 s PHE 193 N 0.18 2.94 -0.20 5.30 0.08 -1.26 -1.08 117.98 123.94 3kc0 s PHE 193 Ca -0.03 0.35 -0.17 0.00 0.12 0.00 0.00 56.93 57.20 3kc0 s PHE 193 Cb -0.09 -3.90 -0.04 0.00 -0.57 0.00 0.00 43.02 38.42 3kc0 s PHE 193 CO 0.01 -1.07 0.43 0.42 -0.10 0.00 0.00 175.22 174.91 3kc0 s ILE 194 N 3.66 5.18 -0.10 0.64 -1.09 0.15 -1.14 121.20 128.50 3kc0 s ILE 194 Ca 0.36 0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 59.26 3kc0 s ILE 194 Cb -0.11 -3.76 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3kc0 s ILE 194 CO 0.25 0.24 1.77 -0.22 -1.23 0.00 0.00 174.94 175.75 3kc0 s LEU 195 N 1.34 4.12 0.00 2.97 2.96 0.10 -0.24 118.68 129.93 3kc0 s LEU 195 Ca 0.21 2.10 0.00 0.00 -0.22 0.00 0.00 54.13 56.21 3kc0 s LEU 195 Cb -0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3kc0 s LEU 195 CO 0.08 -1.17 0.44 1.33 -1.32 0.00 0.00 176.35 175.71 3kc0 n VAL 196 N 6.03 0.00 -3.29 1.68 0.24 -0.07 -4.73 118.33 118.19 3kc0 n VAL 196 Ca 0.20 -0.45 -0.06 0.00 -2.04 0.00 0.00 64.34 61.99 3kc0 n VAL 196 Cb 0.43 1.10 -0.06 0.00 -1.47 0.00 0.00 33.84 33.84 3kc0 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kc0 s ASP 197 N -0.03 -0.09 0.12 -1.34 1.01 -1.10 -4.98 116.67 110.25 3kc0 s ASP 197 Ca 0.00 0.08 -0.13 0.00 0.71 0.00 0.00 52.55 53.21 3kc0 s ASP 197 Cb 0.00 1.34 -0.06 0.00 1.01 0.00 0.00 42.92 45.20 3kc0 s ASP 197 CO 0.00 -0.31 0.49 -0.54 0.21 0.00 0.00 175.17 175.02 3kc0 s LYS 198 N 2.61 3.91 -0.91 8.23 1.02 -1.26 -1.18 119.74 132.16 3kc0 s LYS 198 Ca 0.12 0.39 -0.25 0.00 0.02 0.00 0.00 55.97 56.25 3kc0 s LYS 198 Cb -0.14 -2.97 0.03 0.00 -0.52 0.00 0.00 37.83 34.23 3kc0 s LYS 198 CO -0.23 0.52 0.47 -3.47 -0.92 0.00 0.00 175.35 171.72 3kc0 n ASP 199 N 0.90 -2.77 -4.76 2.83 4.64 -0.95 -4.85 116.55 111.58 3kc0 n ASP 199 Ca -0.07 -0.96 -0.39 0.00 -1.38 0.00 0.00 54.79 51.98 3kc0 n ASP 199 Cb 0.52 -1.16 0.01 0.00 -1.04 0.00 0.00 41.12 39.46 3kc0 n ASP 199 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3kc0 s VAL 200 N -3.93 2.23 -0.04 5.18 1.01 0.29 -4.84 120.40 120.30 3kc0 s VAL 200 Ca 0.34 0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.53 3kc0 s VAL 200 Cb -0.19 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.10 3kc0 s VAL 200 CO 0.72 0.02 -0.03 -0.54 0.00 0.00 0.00 175.10 175.28 3kc0 s LYS 201 N -2.46 0.62 0.55 2.72 -0.14 -1.26 -4.48 119.74 115.29 3kc0 s LYS 201 Ca 0.61 -0.03 -0.19 0.00 -1.36 0.00 0.00 55.97 55.00 3kc0 s LYS 201 Cb -0.42 -0.70 -0.06 0.00 -1.68 0.00 0.00 37.83 34.98 3kc0 s LYS 201 CO 0.53 -0.10 1.08 -1.50 -0.76 0.00 0.00 175.35 174.60 3kc0 s ILE 202 N 0.97 3.51 0.50 2.17 2.07 0.59 -4.98 121.20 126.02 3kc0 s ILE 202 Ca -0.10 0.87 -0.23 0.00 -1.41 0.00 0.00 60.65 59.77 3kc0 s ILE 202 Cb -0.14 -3.34 -0.07 0.00 0.13 0.00 0.00 42.46 39.04 3kc0 s ILE 202 CO -0.01 -0.27 1.40 1.17 -1.91 0.00 0.00 174.94 175.32 3kc0 n LYS 203 N -1.44 1.97 -0.17 3.50 4.81 -1.26 -4.89 118.16 120.68 3kc0 n LYS 203 Ca 0.10 0.71 0.02 0.00 -0.87 0.00 0.00 58.31 58.27 3kc0 n LYS 203 Cb 0.52 -2.61 0.30 0.00 0.02 0.00 0.00 35.03 33.26 3kc0 n LYS 203 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3kc0 h LYS 204 N 1.85 0.87 -3.07 1.64 3.64 -1.94 -3.39 116.57 116.17 3kc0 h LYS 204 Ca -0.51 -0.05 -0.14 0.00 -1.27 0.00 0.00 60.65 58.68 3kc0 h LYS 204 Cb 1.29 -0.20 -0.23 0.00 -0.41 0.00 0.00 32.23 32.68 3kc0 h LYS 204 CO 0.59 0.57 -0.36 0.21 -2.27 0.00 0.00 179.45 178.19 3kc0 s LYS 205 N -5.76 0.44 0.00 1.90 2.20 -1.26 -1.56 119.74 115.71 3kc0 s LYS 205 Ca -0.10 0.18 0.00 0.00 -0.36 0.00 0.00 55.97 55.69 3kc0 s LYS 205 Cb 0.18 0.20 0.00 0.00 -1.51 0.00 0.00 37.83 36.70 3kc0 s LYS 205 CO 0.77 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.09 3kc0 n GLY 206 N 2.36 4.26 0.29 5.54 0.00 -1.26 -4.74 105.19 111.65 3kc0 n GLY 206 Ca -0.16 -2.17 0.02 0.00 0.00 0.00 0.00 46.02 43.71 3kc0 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc0 n LYS 207 N -0.15 0.48 -4.66 1.61 5.02 -1.26 -4.78 118.16 114.42 3kc0 n LYS 207 Ca 0.00 -1.32 -0.24 0.00 -2.02 0.00 0.00 58.31 54.73 3kc0 n LYS 207 Cb 0.00 -0.76 -0.16 0.00 -0.02 0.00 0.00 35.03 34.09 3kc0 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kc0 s ILE 208 N -0.72 1.19 -0.04 -0.18 -1.09 -1.26 0.43 121.20 119.52 3kc0 s ILE 208 Ca 0.07 -0.57 0.07 0.00 -2.23 0.00 0.00 60.65 57.99 3kc0 s ILE 208 Cb 0.06 -1.04 -0.02 0.00 -1.58 0.00 0.00 42.46 39.89 3kc0 s ILE 208 CO 0.01 0.35 -0.25 -0.72 -1.23 0.00 0.00 174.94 173.10 3kc0 s TYR 209 N 0.18 2.39 -0.09 3.97 -0.85 -0.69 -0.86 117.35 121.40 3kc0 s TYR 209 Ca -0.05 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 55.92 3kc0 s TYR 209 Cb -0.11 -1.55 0.03 0.00 0.38 0.00 0.00 41.96 40.70 3kc0 s TYR 209 CO 0.02 -0.12 -0.04 0.45 -1.52 0.00 0.00 175.55 174.34 3kc0 s SER 210 N -0.40 1.85 -0.17 -0.18 0.15 0.10 -3.05 113.70 112.01 3kc0 s SER 210 Ca 0.04 -0.19 -0.31 0.00 0.70 0.00 0.00 55.95 56.19 3kc0 s SER 210 Cb -0.12 -0.63 0.14 0.00 -1.71 0.00 0.00 66.02 63.71 3kc0 s SER 210 CO 0.01 -0.16 1.12 -1.48 1.20 0.00 0.00 173.24 173.94 3kc0 s LEU 211 N 1.83 -0.23 -0.67 3.45 2.34 -1.26 0.67 118.68 124.81 3kc0 s LEU 211 Ca 0.05 0.15 -0.27 0.00 0.06 0.00 0.00 54.13 54.11 3kc0 s LEU 211 Cb -0.12 1.58 0.01 0.00 -0.56 0.00 0.00 46.19 47.10 3kc0 s LEU 211 CO -0.06 -0.28 1.48 0.21 -1.06 0.00 0.00 176.35 176.63 3kc0 s ASN 212 N -1.60 5.87 0.00 1.48 3.84 -1.26 -4.84 114.94 118.43 3kc0 s ASN 212 Ca 0.05 -0.09 0.19 0.00 0.21 0.00 0.00 52.86 53.22 3kc0 s ASN 212 Cb -0.01 -2.55 1.08 0.00 -0.55 0.00 0.00 41.25 39.22 3kc0 s ASN 212 CO -0.04 -1.99 1.56 -0.62 -2.79 0.00 0.00 177.10 173.22 3kc0 n GLU 213 N 9.21 0.48 0.26 0.43 1.02 -1.26 -2.75 120.64 128.03 3kc0 n GLU 213 Ca 0.10 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.40 3kc0 n GLU 213 Cb 0.50 -1.50 0.71 0.00 -0.02 0.00 0.00 31.44 31.13 3kc0 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kc0 h GLY 214 N 3.05 0.00 -0.12 0.62 0.00 -2.06 -0.47 103.07 104.09 3kc0 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kc0 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kc0 n TYR 215 N -3.75 0.10 -0.29 5.60 4.01 -1.11 -4.34 117.16 117.38 3kc0 n TYR 215 Ca -0.02 -0.05 0.10 0.00 -0.16 0.00 0.00 57.90 57.77 3kc0 n TYR 215 Cb 0.23 0.00 0.23 0.00 -0.31 0.00 0.00 39.34 39.49 3kc0 n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kc0 h ALA 216 N 3.42 1.02 -0.67 -0.72 0.00 -1.31 0.23 119.26 121.22 3kc0 h ALA 216 Ca 0.00 0.27 0.16 0.00 0.00 0.00 0.00 54.91 55.34 3kc0 h ALA 216 Cb 0.14 0.46 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 3kc0 h ALA 216 CO 0.00 -0.48 0.46 -0.22 0.00 0.00 0.00 179.25 179.02 3kc0 h LYS 217 N 0.10 0.21 -0.15 0.00 3.64 -1.84 -2.17 116.57 116.36 3kc0 h LYS 217 Ca 0.50 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.87 3kc0 h LYS 217 Cb 0.97 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.74 3kc0 h LYS 217 CO -0.75 0.14 0.00 -0.25 -2.27 0.00 0.00 179.45 176.32 3kc0 n ASP 218 N -4.43 2.88 -4.72 4.20 8.00 0.73 -5.03 116.55 118.18 3kc0 n ASP 218 Ca 0.13 -1.87 -0.37 0.00 0.71 0.00 0.00 54.79 53.39 3kc0 n ASP 218 Cb 0.59 -0.09 0.07 0.00 -0.02 0.00 0.00 41.12 41.68 3kc0 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kc0 n PHE 219 N 1.17 1.85 -2.53 1.24 3.72 -0.82 -2.07 117.46 120.02 3kc0 n PHE 219 Ca 0.14 0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 57.56 3kc0 n PHE 219 Cb 0.51 -2.25 -0.05 0.00 -0.94 0.00 0.00 39.48 36.76 3kc0 n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kc0 s ASP 220 N -1.44 7.28 0.37 4.37 2.15 -1.26 -4.83 116.67 123.30 3kc0 s ASP 220 Ca 0.82 2.18 0.18 0.00 0.43 0.00 0.00 52.55 56.16 3kc0 s ASP 220 Cb -0.37 -2.62 1.14 0.00 -0.30 0.00 0.00 42.92 40.77 3kc0 s ASP 220 CO 0.41 -0.13 1.69 1.55 -0.17 0.00 0.00 175.17 178.52 3kc0 h PRO 221 N 3.71 0.31 -0.18 4.34 0.13 -1.98 0.89 132.00 139.22 3kc0 h PRO 221 Ca -0.47 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 3kc0 h PRO 221 Cb 1.21 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 3kc0 h PRO 221 CO 0.66 0.20 0.11 0.00 -0.23 0.00 0.00 178.00 178.75 3kc0 h ALA 222 N 1.74 0.23 -0.21 -0.56 0.00 -1.91 -0.21 119.26 118.33 3kc0 h ALA 222 Ca 0.71 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.61 3kc0 h ALA 222 Cb 1.77 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.48 3kc0 h ALA 222 CO -0.49 -0.28 0.12 0.28 0.00 0.00 0.00 179.25 178.88 3kc0 h VAL 223 N 0.23 1.02 -0.48 0.00 2.07 -1.24 -0.85 116.25 116.99 3kc0 h VAL 223 Ca 0.06 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.57 3kc0 h VAL 223 Cb -0.00 0.75 -0.06 0.00 -1.52 0.00 0.00 31.29 30.46 3kc0 h VAL 223 CO -0.01 0.04 0.15 0.74 0.02 0.00 0.00 177.57 178.51 3kc0 h THR 224 N 0.24 0.81 -0.33 2.57 2.02 -0.93 -1.12 112.91 116.18 3kc0 h THR 224 Ca 0.08 -0.11 -0.04 0.00 0.77 0.00 0.00 66.41 67.12 3kc0 h THR 224 Cb 0.00 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 66.87 3kc0 h THR 224 CO -0.04 0.06 0.07 -0.08 0.37 0.00 0.00 175.52 175.89 3kc0 h GLU 225 N 0.31 0.53 0.01 6.66 4.81 -0.75 -1.82 114.58 124.33 3kc0 h GLU 225 Ca 0.23 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 59.35 3kc0 h GLU 225 Cb 0.27 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 3kc0 h GLU 225 CO -0.26 0.60 -0.12 -0.92 -0.73 0.00 0.00 179.01 177.58 3kc0 h TYR 226 N 0.37 -0.31 -0.81 0.92 3.20 -0.72 -0.10 116.97 119.52 3kc0 h TYR 226 Ca 0.10 0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.07 3kc0 h TYR 226 Cb 0.32 0.14 -0.07 0.00 1.54 0.00 0.00 36.73 38.66 3kc0 h TYR 226 CO 0.02 -0.18 0.46 0.82 -1.64 0.00 0.00 178.16 177.63 3kc0 h ILE 227 N -0.21 0.90 -0.88 1.81 1.08 -1.18 -0.52 117.51 118.51 3kc0 h ILE 227 Ca 0.04 -0.26 0.07 0.00 -0.39 0.00 0.00 64.86 64.32 3kc0 h ILE 227 Cb 0.26 0.07 -0.06 0.00 -3.07 0.00 0.00 36.82 34.01 3kc0 h ILE 227 CO -0.11 0.14 0.55 -0.61 -0.69 0.00 0.00 178.15 177.42 3kc0 h GLN 228 N 0.77 0.95 0.00 2.37 5.75 -0.47 -0.28 115.11 124.21 3kc0 h GLN 228 Ca 0.39 -0.06 -0.00 0.00 -0.15 0.00 0.00 58.65 58.83 3kc0 h GLN 228 Cb 0.36 -0.22 -0.00 0.00 1.07 0.00 0.00 27.48 28.70 3kc0 h GLN 228 CO -0.25 0.63 -0.01 0.00 -2.65 0.00 0.00 178.83 176.55 3kc0 h ARG 229 N 0.98 0.00 0.03 1.69 3.08 0.56 0.70 114.38 121.43 3kc0 h ARG 229 Ca 0.39 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 60.19 3kc0 h ARG 229 Cb 0.21 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 3kc0 h ARG 229 CO -0.19 0.01 -1.31 0.87 -1.07 0.00 0.00 179.97 178.29 3kc0 h LYS 230 N 0.00 0.07 0.04 0.04 1.79 -0.38 -2.91 116.57 115.22 3kc0 h LYS 230 Ca -0.00 -0.12 -0.29 0.00 -2.18 0.00 0.00 60.65 58.06 3kc0 h LYS 230 Cb 0.54 0.05 -0.03 0.00 -1.58 0.00 0.00 32.23 31.20 3kc0 h LYS 230 CO 0.00 0.91 -1.55 0.87 -1.08 0.00 0.00 179.45 178.61 3kc0 h LYS 231 N 0.02 0.08 -2.35 3.15 1.57 -1.05 -1.21 116.57 116.78 3kc0 h LYS 231 Ca -0.14 -0.14 -0.59 0.00 -1.87 0.00 0.00 60.65 57.91 3kc0 h LYS 231 Cb 1.90 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.86 3kc0 h LYS 231 CO 0.13 0.81 -0.88 1.19 -0.57 0.00 0.00 179.45 180.13 3kc0 n PHE 232 N -3.24 0.83 -1.59 -1.35 3.01 0.21 -4.77 117.46 110.56 3kc0 n PHE 232 Ca -0.15 -3.72 -0.55 0.00 1.01 0.00 0.00 57.45 54.04 3kc0 n PHE 232 Cb 1.03 -0.24 -0.07 0.00 -0.01 0.00 0.00 39.48 40.19 3kc0 n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kc0 n PRO 233 N 1.88 0.79 -0.15 -1.08 -0.02 -1.10 -4.54 135.00 130.78 3kc0 n PRO 233 Ca 0.25 0.28 -0.10 0.00 -2.02 0.00 0.00 63.50 61.92 3kc0 n PRO 233 Cb 0.46 -1.89 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 3kc0 n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kc0 h PRO 234 N 4.45 0.73 -1.19 0.52 0.11 -1.92 -3.16 132.00 131.54 3kc0 h PRO 234 Ca -0.48 -0.21 -0.30 0.00 0.11 0.00 0.00 66.00 65.12 3kc0 h PRO 234 Cb 1.36 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.24 3kc0 h PRO 234 CO 0.77 0.78 0.38 -0.40 -0.21 0.00 0.00 178.00 179.32 3kc0 n ASP 235 N -4.46 4.63 0.00 -2.05 3.85 -1.26 -4.83 116.55 112.43 3kc0 n ASP 235 Ca -0.00 -2.94 0.00 0.00 -0.71 0.00 0.00 54.79 51.14 3kc0 n ASP 235 Cb 0.26 -0.82 0.00 0.00 -1.35 0.00 0.00 41.12 39.21 3kc0 n ASP 235 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kc0 n ASN 236 N -0.10 0.00 -4.11 -1.12 5.15 -1.19 -4.93 115.26 108.96 3kc0 n ASN 236 Ca 0.31 0.00 -0.29 0.00 -0.60 0.00 0.00 54.58 54.00 3kc0 n ASN 236 Cb 0.90 -1.84 0.25 0.00 -0.53 0.00 0.00 39.78 38.56 3kc0 n ASN 236 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 3kc0 n SER 237 N 0.00 -2.58 -4.74 1.20 2.88 -1.26 -4.97 113.62 104.15 3kc0 n SER 237 Ca 0.00 -0.37 -0.40 0.00 -1.33 0.00 0.00 58.87 56.77 3kc0 n SER 237 Cb 0.00 -1.12 -0.05 0.00 -0.75 0.00 0.00 64.21 62.29 3kc0 n SER 237 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3kc0 s ALA 238 N -2.28 3.32 0.53 -1.46 0.00 -1.26 -4.62 121.76 115.99 3kc0 s ALA 238 Ca 0.65 0.64 -0.22 0.00 0.00 0.00 0.00 51.96 53.03 3kc0 s ALA 238 Cb -0.20 -3.25 -0.06 0.00 0.00 0.00 0.00 23.12 19.62 3kc0 s ALA 238 CO 0.62 0.08 1.34 -2.30 0.00 0.00 0.00 175.76 175.50 3kc0 n PRO 239 N 1.94 1.73 -2.09 0.00 -0.02 -1.26 -4.92 135.00 130.38 3kc0 n PRO 239 Ca -0.00 0.63 -0.34 0.00 -2.02 0.00 0.00 63.50 61.77 3kc0 n PRO 239 Cb 0.47 -2.54 0.02 0.00 -0.02 0.00 0.00 33.50 31.43 3kc0 n PRO 239 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 3kc0 s TYR 240 N -1.28 2.69 0.40 6.00 1.51 -0.46 -5.03 117.35 121.18 3kc0 s TYR 240 Ca 0.70 1.55 -0.10 0.00 -1.01 0.00 0.00 57.07 58.20 3kc0 s TYR 240 Cb -0.43 -3.22 -0.06 0.00 -0.11 0.00 0.00 41.96 38.14 3kc0 s TYR 240 CO 0.51 -1.54 0.75 0.20 -1.11 0.00 0.00 175.55 174.36 3kc0 s GLY 241 N -2.13 1.92 -0.07 0.71 0.00 0.17 -4.84 107.32 103.07 3kc0 s GLY 241 Ca 0.70 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 45.18 3kc0 s GLY 241 CO 0.32 -0.06 -0.07 0.00 0.00 0.00 0.00 173.10 173.29 3kc0 s ALA 242 N -2.37 2.99 -0.13 3.20 0.00 -1.26 -1.71 121.76 122.48 3kc0 s ALA 242 Ca 0.50 -0.89 -0.09 0.00 0.00 0.00 0.00 51.96 51.49 3kc0 s ALA 242 Cb -0.10 -1.24 0.05 0.00 0.00 0.00 0.00 23.12 21.82 3kc0 s ALA 242 CO 0.32 0.56 0.33 1.03 0.00 0.00 0.00 175.76 178.00 3kc0 s ARG 243 N -0.77 0.33 -0.29 0.00 1.81 -1.17 -4.99 118.95 113.87 3kc0 s ARG 243 Ca 0.12 0.60 0.03 0.00 -1.72 0.00 0.00 55.73 54.75 3kc0 s ARG 243 Cb -0.11 0.01 0.17 0.00 -0.45 0.00 0.00 34.95 34.57 3kc0 s ARG 243 CO 0.01 -0.13 0.49 -0.47 -0.68 0.00 0.00 175.30 174.53 3kc0 s TYR 244 N 0.98 -1.34 0.11 -0.53 5.04 -1.26 -4.15 117.35 116.19 3kc0 s TYR 244 Ca -0.07 0.78 -0.02 0.00 -2.44 0.00 0.00 57.07 55.32 3kc0 s TYR 244 Cb -0.07 0.10 -0.19 0.00 0.35 0.00 0.00 41.96 42.14 3kc0 s TYR 244 CO -0.07 -0.98 1.23 0.28 -1.34 0.00 0.00 175.55 174.66 3kc0 h VAL 245 N 6.09 1.50 0.00 3.14 2.07 -1.98 -3.48 116.25 123.60 3kc0 h VAL 245 Ca -0.09 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.53 3kc0 h VAL 245 Cb 1.15 2.76 0.00 0.00 -1.52 0.00 0.00 31.29 33.68 3kc0 h VAL 245 CO 0.23 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.28 3kc0 n GLY 246 N 1.29 3.09 3.48 2.17 0.00 -1.26 -5.00 105.19 108.96 3kc0 n GLY 246 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 3kc0 n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kc0 s SER 247 N -1.25 5.96 0.21 1.61 0.01 -1.26 -4.93 113.70 114.05 3kc0 s SER 247 Ca 0.00 -0.64 -0.10 0.00 1.31 0.00 0.00 55.95 56.52 3kc0 s SER 247 Cb 0.00 -2.11 0.31 0.00 0.21 0.00 0.00 66.02 64.43 3kc0 s SER 247 CO 0.00 -0.31 1.68 -0.03 0.41 0.00 0.00 173.24 174.99 3kc0 h MET 248 N 8.50 0.17 -0.68 12.44 4.05 -1.93 -0.49 114.93 137.00 3kc0 h MET 248 Ca -0.30 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.21 3kc0 h MET 248 Cb 1.14 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 31.83 3kc0 h MET 248 CO 0.66 0.11 0.31 0.28 0.23 0.00 0.00 176.91 178.50 3kc0 h VAL 249 N 0.18 0.81 -0.22 -5.77 2.07 -1.94 0.21 116.25 111.59 3kc0 h VAL 249 Ca 0.33 -0.18 -0.04 0.00 0.82 0.00 0.00 66.70 67.62 3kc0 h VAL 249 Cb 0.52 0.24 -0.01 0.00 -1.52 0.00 0.00 31.29 30.52 3kc0 h VAL 249 CO -0.48 0.10 -0.03 0.00 0.02 0.00 0.00 177.57 177.18 3kc0 h ALA 250 N 1.43 0.30 -0.58 1.67 0.00 -1.49 -1.73 119.26 118.86 3kc0 h ALA 250 Ca 0.34 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 3kc0 h ALA 250 Cb 0.39 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kc0 h ALA 250 CO -0.29 0.06 0.01 -0.44 0.00 0.00 0.00 179.25 178.59 3kc0 h ASP 251 N 0.16 1.00 -0.52 0.00 3.32 -0.62 -1.92 116.42 117.83 3kc0 h ASP 251 Ca 0.06 -0.30 -0.10 0.00 0.02 0.00 0.00 57.03 56.70 3kc0 h ASP 251 Cb 0.46 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.72 3kc0 h ASP 251 CO 0.02 1.05 -0.08 0.58 -1.72 0.00 0.00 179.24 179.09 3kc0 h VAL 252 N 0.91 1.27 -0.70 -1.35 2.07 -0.59 -2.22 116.25 115.63 3kc0 h VAL 252 Ca 0.17 -1.22 -0.07 0.00 0.82 0.00 0.00 66.70 66.40 3kc0 h VAL 252 Cb 0.54 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.27 3kc0 h VAL 252 CO 0.03 0.43 0.17 -0.74 0.02 0.00 0.00 177.57 177.48 3kc0 h HIS 253 N 0.84 1.17 -0.46 1.57 -0.00 -1.19 -0.04 115.15 117.05 3kc0 h HIS 253 Ca 0.14 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.35 3kc0 h HIS 253 Cb 0.64 -0.33 -0.02 0.00 -0.00 0.00 0.00 27.41 27.69 3kc0 h HIS 253 CO 0.05 0.95 0.19 -0.09 -0.00 0.00 0.00 177.93 179.02 3kc0 h ARG 254 N 1.06 0.68 -0.55 5.26 2.43 -1.22 -0.56 114.38 121.48 3kc0 h ARG 254 Ca 0.22 -0.12 0.05 0.00 -0.81 0.00 0.00 59.98 59.32 3kc0 h ARG 254 Cb 0.37 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.76 3kc0 h ARG 254 CO 0.00 0.62 0.28 1.15 -1.51 0.00 0.00 179.97 180.51 3kc0 h THR 255 N 0.60 0.95 -0.08 0.20 2.02 -0.89 0.66 112.91 116.37 3kc0 h THR 255 Ca 0.15 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3kc0 h THR 255 Cb 0.19 0.36 -0.01 0.00 -1.74 0.00 0.00 68.15 66.95 3kc0 h THR 255 CO -0.01 0.10 0.03 0.25 0.37 0.00 0.00 175.52 176.26 3kc0 h LEU 256 N 0.54 0.05 -0.12 2.58 5.85 -0.58 1.26 115.31 124.88 3kc0 h LEU 256 Ca 0.25 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.92 3kc0 h LEU 256 Cb 0.16 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.18 3kc0 h LEU 256 CO -0.17 0.04 -0.11 0.58 -0.34 0.00 0.00 178.44 178.44 3kc0 h VAL 257 N 0.08 1.35 0.00 1.05 2.07 -0.49 -3.34 116.25 116.96 3kc0 h VAL 257 Ca 0.03 -1.24 0.00 0.00 0.82 0.00 0.00 66.70 66.31 3kc0 h VAL 257 Cb 0.01 1.89 0.00 0.00 -1.52 0.00 0.00 31.29 31.67 3kc0 h VAL 257 CO -0.02 0.36 -1.07 -1.22 0.02 0.00 0.00 177.57 175.64 3kc0 n TYR 258 N -4.62 0.03 0.00 1.57 4.01 0.22 -4.91 117.16 113.46 3kc0 n TYR 258 Ca -0.06 0.01 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3kc0 n TYR 258 Cb 0.33 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.23 3kc0 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc0 n GLY 259 N 1.46 -1.41 0.00 2.72 0.00 0.43 -4.70 105.19 103.69 3kc0 n GLY 259 Ca 0.03 -1.55 0.00 0.00 0.00 0.00 0.00 46.02 44.49 3kc0 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc0 n GLY 260 N -1.48 0.25 3.01 -0.02 0.00 -1.26 -4.54 105.19 101.15 3kc0 n GLY 260 Ca 0.00 -2.06 -0.12 0.00 0.00 0.00 0.00 46.02 43.84 3kc0 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc0 s ILE 261 N 0.00 0.03 -0.05 -0.61 2.07 -0.04 0.11 121.20 122.71 3kc0 s ILE 261 Ca 0.00 -0.27 0.06 0.00 -1.41 0.00 0.00 60.65 59.03 3kc0 s ILE 261 Cb 0.00 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.35 3kc0 s ILE 261 CO 0.00 -0.15 -0.23 0.12 -1.91 0.00 0.00 174.94 172.76 3kc0 s PHE 262 N -0.46 2.26 0.00 3.50 5.36 0.76 0.01 117.98 129.41 3kc0 s PHE 262 Ca -0.05 -0.64 0.01 0.00 -0.96 0.00 0.00 56.93 55.28 3kc0 s PHE 262 Cb -0.03 -1.49 -0.00 0.00 -0.34 0.00 0.00 43.02 41.16 3kc0 s PHE 262 CO 0.00 -0.18 -0.02 -0.51 -1.46 0.00 0.00 175.22 173.04 3kc0 s LEU 263 N -0.18 2.03 -0.45 6.12 1.02 0.21 -1.37 118.68 126.06 3kc0 s LEU 263 Ca -0.02 -0.08 0.06 0.00 0.02 0.00 0.00 54.13 54.11 3kc0 s LEU 263 Cb -0.13 -0.10 0.21 0.00 0.02 0.00 0.00 46.19 46.19 3kc0 s LEU 263 CO 0.03 0.00 0.60 0.00 0.02 0.00 0.00 176.35 176.99 3kc0 n TYR 264 N 2.89 -2.04 -1.93 0.29 4.19 -0.69 -4.26 117.16 115.62 3kc0 n TYR 264 Ca -0.13 -2.55 -0.29 0.00 3.31 0.00 0.00 57.90 58.23 3kc0 n TYR 264 Cb 0.59 0.70 0.11 0.00 0.49 0.00 0.00 39.34 41.22 3kc0 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kc0 s PRO 265 N 0.10 1.69 -0.33 2.98 0.04 -1.26 -2.17 135.00 136.04 3kc0 s PRO 265 Ca 0.33 -0.03 -0.22 0.00 0.04 0.00 0.00 61.00 61.12 3kc0 s PRO 265 Cb 0.10 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.70 3kc0 s PRO 265 CO -0.15 -1.75 0.74 0.00 0.04 0.00 0.00 177.00 175.88 3kc0 s ALA 266 N -3.63 3.48 0.72 8.56 0.00 -1.26 -4.62 121.76 125.02 3kc0 s ALA 266 Ca 0.64 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.00 3kc0 s ALA 266 Cb -0.09 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.75 3kc0 s ALA 266 CO 0.50 -1.30 0.00 0.27 0.00 0.00 0.00 175.76 175.22 3kc0 n ASN 267 N 6.21 0.00 0.05 0.00 0.23 -1.15 -4.50 115.26 116.10 3kc0 n ASN 267 Ca 0.02 0.00 -0.20 0.00 -0.53 0.00 0.00 54.58 53.87 3kc0 n ASN 267 Cb 0.48 0.00 -0.14 0.00 -2.08 0.00 0.00 39.78 38.04 3kc0 n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3kc0 h LYS 268 N 0.00 0.30 0.00 -3.83 1.57 -1.75 -3.38 116.57 109.48 3kc0 h LYS 268 Ca 0.00 -0.51 0.00 0.00 -1.87 0.00 0.00 60.65 58.27 3kc0 h LYS 268 Cb 0.00 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3kc0 h LYS 268 CO 0.00 1.18 0.00 1.17 -0.57 0.00 0.00 179.45 181.23 3kc0 n LYS 269 N -3.49 0.00 -2.99 3.15 4.81 -1.26 -4.35 118.16 114.03 3kc0 n LYS 269 Ca -0.24 0.29 -0.44 0.00 -0.87 0.00 0.00 58.31 57.05 3kc0 n LYS 269 Cb 1.06 -1.17 -0.03 0.00 0.02 0.00 0.00 35.03 34.91 3kc0 n LYS 269 CO 0.00 0.00 0.00 -1.12 1.17 0.00 0.00 177.40 177.45 3kc0 s SER 270 N -2.04 6.59 0.00 3.14 0.01 -1.26 -4.88 113.70 115.26 3kc0 s SER 270 Ca 0.00 -2.03 0.10 0.00 1.31 0.00 0.00 55.95 55.34 3kc0 s SER 270 Cb 0.00 -2.37 0.52 0.00 0.21 0.00 0.00 66.02 64.38 3kc0 s SER 270 CO 0.00 -1.02 1.22 -0.81 0.41 0.00 0.00 173.24 173.03 3kc0 n PRO 271 N 6.25 0.14 -0.04 12.44 -0.04 -1.26 -1.91 135.00 150.57 3kc0 n PRO 271 Ca 0.18 0.19 0.02 0.00 -0.04 0.00 0.00 63.50 63.85 3kc0 n PRO 271 Cb 0.48 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 3kc0 n PRO 271 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3kc0 n ASN 272 N -1.29 2.06 0.00 3.54 5.03 -1.26 -4.82 115.26 118.52 3kc0 n ASN 272 Ca 0.05 -1.79 0.00 0.00 0.87 0.00 0.00 54.58 53.71 3kc0 n ASN 272 Cb 0.08 -0.06 0.00 0.00 -1.02 0.00 0.00 39.78 38.78 3kc0 n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kc0 n GLY 273 N -0.06 -3.06 0.05 7.41 0.00 -0.80 -1.49 105.19 107.24 3kc0 n GLY 273 Ca 0.04 -1.81 -0.06 0.00 0.00 0.00 0.00 46.02 44.18 3kc0 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc0 n LYS 274 N -0.40 0.51 -1.87 1.61 4.81 -1.26 -4.63 118.16 116.93 3kc0 n LYS 274 Ca 0.00 0.05 -0.35 0.00 -0.87 0.00 0.00 58.31 57.14 3kc0 n LYS 274 Cb 0.00 -1.19 0.04 0.00 0.02 0.00 0.00 35.03 33.91 3kc0 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kc0 s LEU 275 N -5.44 3.54 0.08 3.14 1.43 -1.26 -4.79 118.68 115.38 3kc0 s LEU 275 Ca -0.12 2.26 -0.23 0.00 -1.03 0.00 0.00 54.13 55.01 3kc0 s LEU 275 Cb 0.03 -4.58 -0.06 0.00 0.03 0.00 0.00 46.19 41.60 3kc0 s LEU 275 CO 0.22 -1.68 0.70 -0.13 0.23 0.00 0.00 176.35 175.69 3kc0 s ARG 276 N -3.62 4.43 -0.01 1.70 3.00 -1.26 -0.98 118.95 122.21 3kc0 s ARG 276 Ca 0.74 0.98 -0.25 0.00 0.00 0.00 0.00 55.73 57.19 3kc0 s ARG 276 Cb -0.27 -3.31 -0.19 0.00 0.00 0.00 0.00 34.95 31.19 3kc0 s ARG 276 CO 0.37 0.45 1.25 1.25 0.00 0.00 0.00 175.30 178.62 3kc0 h LEU 277 N 5.04 -0.08 -0.41 2.53 5.85 -1.41 0.65 115.31 127.48 3kc0 h LEU 277 Ca -0.46 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 57.86 3kc0 h LEU 277 Cb 1.21 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.24 3kc0 h LEU 277 CO 0.68 0.36 0.21 -0.07 -0.34 0.00 0.00 178.44 179.28 3kc0 h LEU 278 N -0.54 0.52 -1.86 2.25 4.07 -1.79 -0.26 115.31 117.69 3kc0 h LEU 278 Ca -0.01 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.84 3kc0 h LEU 278 Cb 0.46 -0.13 0.00 0.00 1.08 0.00 0.00 40.66 42.07 3kc0 h LEU 278 CO 0.02 0.48 0.00 0.00 -1.08 0.00 0.00 178.44 177.85 3kc0 n TYR 279 N -4.71 0.10 0.02 1.13 0.18 -1.26 -4.46 117.16 108.16 3kc0 n TYR 279 Ca 0.00 -0.18 0.00 0.00 1.88 0.00 0.00 57.90 59.60 3kc0 n TYR 279 Cb 0.09 -0.01 0.00 0.00 -0.38 0.00 0.00 39.34 39.04 3kc0 n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kc0 n GLU 280 N 0.30 0.00 0.06 -3.48 1.02 -0.93 -4.35 120.64 113.26 3kc0 n GLU 280 Ca 0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.10 3kc0 n GLU 280 Cb 0.24 -0.41 -0.06 0.00 -0.02 0.00 0.00 31.44 31.19 3kc0 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc0 h ASN 282 N -0.94 -0.45 -0.38 0.00 -0.26 -1.28 0.34 115.58 112.60 3kc0 h ASN 282 Ca -0.03 0.09 0.07 0.00 -0.56 0.00 0.00 56.30 55.86 3kc0 h ASN 282 Cb 0.47 0.22 -0.06 0.00 -1.06 0.00 0.00 38.32 37.89 3kc0 h ASN 282 CO 0.04 -0.19 0.04 -0.65 -1.06 0.00 0.00 177.43 175.61 3kc0 h PRO 283 N -0.17 0.14 -0.70 0.81 0.11 -1.78 0.31 132.00 130.72 3kc0 h PRO 283 Ca 0.09 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 3kc0 h PRO 283 Cb 0.31 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.36 3kc0 h PRO 283 CO -0.24 0.09 0.19 0.52 -0.21 0.00 0.00 178.00 178.36 3kc0 h MET 284 N 0.15 1.10 -0.42 1.05 2.86 -1.46 -1.38 114.93 116.83 3kc0 h MET 284 Ca 0.19 -0.25 0.00 0.00 -2.06 0.00 0.00 59.70 57.58 3kc0 h MET 284 Cb 0.25 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3kc0 h MET 284 CO -0.28 0.95 0.27 0.00 1.06 0.00 0.00 176.91 178.91 3kc0 h ALA 285 N 1.15 0.53 -0.43 6.32 0.00 0.77 -0.69 119.26 126.90 3kc0 h ALA 285 Ca 0.22 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3kc0 h ALA 285 Cb 0.34 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3kc0 h ALA 285 CO -0.00 -0.01 0.27 -0.92 0.00 0.00 0.00 179.25 178.60 3kc0 h TYR 286 N 0.56 0.56 -0.30 0.00 3.20 -0.08 -1.16 116.97 119.75 3kc0 h TYR 286 Ca 0.15 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.03 3kc0 h TYR 286 Cb -0.05 -0.19 -0.01 0.00 1.54 0.00 0.00 36.73 38.02 3kc0 h TYR 286 CO -0.04 0.37 0.19 0.28 -1.64 0.00 0.00 178.16 177.32 3kc0 h VAL 287 N 0.58 1.08 0.11 1.81 2.07 -0.92 -1.95 116.25 119.04 3kc0 h VAL 287 Ca 0.16 -0.16 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3kc0 h VAL 287 Cb -0.04 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 3kc0 h VAL 287 CO -0.03 0.08 -0.12 0.24 0.02 0.00 0.00 177.57 177.76 3kc0 h MET 288 N 0.39 -0.25 -0.99 1.57 2.86 -0.83 -2.07 114.93 115.60 3kc0 h MET 288 Ca 0.11 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.78 3kc0 h MET 288 Cb -0.03 0.06 -0.05 0.00 0.06 0.00 0.00 31.60 31.64 3kc0 h MET 288 CO -0.02 -0.17 0.66 0.93 1.06 0.00 0.00 176.91 179.36 3kc0 h GLU 289 N -0.26 1.30 0.00 1.72 5.08 -1.08 0.66 114.58 121.99 3kc0 h GLU 289 Ca 0.01 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 3kc0 h GLU 289 Cb 0.26 -0.29 0.00 0.00 0.50 0.00 0.00 28.75 29.22 3kc0 h GLU 289 CO -0.04 0.86 0.00 0.87 -1.00 0.00 0.00 179.01 179.70 3kc0 h LYS 290 N 1.34 0.00 -0.45 2.33 1.79 -1.19 -1.69 116.57 118.70 3kc0 h LYS 290 Ca 0.36 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 3kc0 h LYS 290 Cb -0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.50 3kc0 h LYS 290 CO -0.08 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.29 3kc0 n ALA 291 N -2.04 2.43 -0.79 3.86 0.00 -0.29 -4.46 120.51 119.22 3kc0 n ALA 291 Ca 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 53.44 52.53 3kc0 n ALA 291 Cb 0.29 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.78 3kc0 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 292 N 1.40 0.55 0.77 0.00 0.00 -0.63 -0.30 105.19 106.97 3kc0 n GLY 292 Ca 0.19 -0.54 -0.04 0.00 0.00 0.00 0.00 46.02 45.62 3kc0 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc0 n GLY 293 N -2.79 2.30 3.27 -0.02 0.00 0.22 -4.49 105.19 103.69 3kc0 n GLY 293 Ca 0.00 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.70 3kc0 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kc0 s MET 294 N -2.50 1.12 -0.25 1.61 1.00 -0.84 -3.70 119.30 115.75 3kc0 s MET 294 Ca 0.10 -1.47 -0.02 0.00 0.00 0.00 0.00 55.69 54.30 3kc0 s MET 294 Cb -0.01 -0.76 0.13 0.00 0.00 0.00 0.00 34.83 34.19 3kc0 s MET 294 CO 0.06 0.11 0.32 0.00 0.00 0.00 0.00 175.02 175.51 3kc0 s ALA 295 N -3.17 -0.75 0.24 3.03 0.00 -1.26 -1.94 121.76 117.91 3kc0 s ALA 295 Ca 0.17 0.37 0.11 0.00 0.00 0.00 0.00 51.96 52.61 3kc0 s ALA 295 Cb 0.01 -1.67 -0.05 0.00 0.00 0.00 0.00 23.12 21.42 3kc0 s ALA 295 CO 0.02 -1.42 -0.19 -0.08 0.00 0.00 0.00 175.76 174.09 3kc0 s THR 296 N 2.45 2.24 -1.65 0.00 -1.32 -0.02 -1.15 115.64 116.18 3kc0 s THR 296 Ca 0.10 -2.25 0.22 0.00 -1.21 0.00 0.00 61.69 58.55 3kc0 s THR 296 Cb -0.15 -2.17 -0.07 0.00 -1.51 0.00 0.00 72.50 68.60 3kc0 s THR 296 CO -0.21 -0.38 1.05 0.35 -2.21 0.00 0.00 174.62 173.22 3kc0 n THR 297 N -0.32 0.00 0.00 5.08 -2.24 0.13 -0.47 114.28 116.46 3kc0 n THR 297 Ca -0.08 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3kc0 n THR 297 Cb 0.59 1.12 0.00 0.00 -2.10 0.00 0.00 70.33 69.94 3kc0 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc0 n GLY 298 N 1.45 3.09 0.07 3.38 0.00 -1.26 -4.71 105.19 107.20 3kc0 n GLY 298 Ca 0.07 -1.01 -0.01 0.00 0.00 0.00 0.00 46.02 45.08 3kc0 n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc0 n LYS 299 N 0.00 0.66 -3.73 1.61 5.02 -1.26 -4.96 118.16 115.50 3kc0 n LYS 299 Ca 0.00 -0.02 -0.05 0.00 -2.02 0.00 0.00 58.31 56.22 3kc0 n LYS 299 Cb 0.00 -1.59 -0.02 0.00 -0.02 0.00 0.00 35.03 33.41 3kc0 n LYS 299 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kc0 s GLU 300 N -2.94 1.25 0.21 1.97 -1.05 -1.26 -5.13 118.70 111.75 3kc0 s GLU 300 Ca -0.08 -0.66 -0.31 0.00 -0.15 0.00 0.00 54.97 53.77 3kc0 s GLU 300 Cb 0.09 0.44 -0.11 0.00 -0.44 0.00 0.00 34.13 34.12 3kc0 s GLU 300 CO 0.85 -0.57 1.57 0.00 0.95 0.00 0.00 175.26 178.07 3kc0 s ALA 301 N -3.38 3.77 0.25 -0.84 0.00 -1.26 -0.69 121.76 119.60 3kc0 s ALA 301 Ca 0.11 1.43 -0.04 0.00 0.00 0.00 0.00 51.96 53.46 3kc0 s ALA 301 Cb -0.02 -3.63 0.47 0.00 0.00 0.00 0.00 23.12 19.94 3kc0 s ALA 301 CO 0.01 -0.83 1.73 0.28 0.00 0.00 0.00 175.76 176.95 3kc0 h VAL 302 N 3.78 0.64 0.00 0.00 2.07 -1.43 0.36 116.25 121.67 3kc0 h VAL 302 Ca -0.44 -0.15 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kc0 h VAL 302 Cb 1.21 0.17 0.00 0.00 -1.52 0.00 0.00 31.29 31.15 3kc0 h VAL 302 CO 0.87 0.08 0.00 -0.07 0.02 0.00 0.00 177.57 178.47 3kc0 h LEU 303 N 0.43 0.00 0.00 2.57 3.38 -1.90 -2.36 115.31 117.42 3kc0 h LEU 303 Ca 0.42 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.39 3kc0 h LEU 303 Cb 0.65 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.40 3kc0 h LEU 303 CO -0.41 0.00 -0.62 0.44 0.09 0.00 0.00 178.44 177.93 3kc0 h ASP 304 N 0.00 0.00 -2.78 -0.43 3.32 -1.29 -0.24 116.42 115.01 3kc0 h ASP 304 Ca 0.00 -0.20 -0.53 0.00 0.02 0.00 0.00 57.03 56.33 3kc0 h ASP 304 Cb 0.11 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.70 3kc0 h ASP 304 CO 0.00 0.10 0.91 -0.69 -1.72 0.00 0.00 179.24 177.84 3kc0 s VAL 305 N -3.17 2.66 -0.43 -1.35 1.01 -0.89 -4.93 120.40 113.30 3kc0 s VAL 305 Ca 0.06 0.42 -0.19 0.00 0.00 0.00 0.00 61.98 62.27 3kc0 s VAL 305 Cb 0.13 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 33.27 3kc0 s VAL 305 CO 0.72 0.03 0.54 -0.63 0.00 0.00 0.00 175.10 175.76 3kc0 s ILE 306 N 1.45 4.95 0.65 2.22 1.01 -1.26 -4.31 121.20 125.91 3kc0 s ILE 306 Ca 0.71 -0.14 -0.16 0.00 0.00 0.00 0.00 60.65 61.07 3kc0 s ILE 306 Cb -0.43 -4.13 -0.01 0.00 0.01 0.00 0.00 42.46 37.90 3kc0 s ILE 306 CO 0.32 -0.52 1.14 -2.16 0.00 0.00 0.00 174.94 173.71 3kc0 s PRO 307 N 2.48 2.78 0.00 2.79 0.04 -1.26 -4.96 135.00 136.87 3kc0 s PRO 307 Ca 0.17 1.54 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3kc0 s PRO 307 Cb -0.16 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.45 3kc0 s PRO 307 CO 0.16 -1.29 0.00 0.25 0.04 0.00 0.00 177.00 176.16 3kc0 n THR 308 N -2.22 0.00 -3.83 1.26 -2.24 -1.26 -4.83 114.28 101.17 3kc0 n THR 308 Ca 0.11 -0.15 -0.18 0.00 -2.27 0.00 0.00 64.05 61.57 3kc0 n THR 308 Cb 0.51 0.63 -0.17 0.00 -2.10 0.00 0.00 70.33 69.21 3kc0 n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kc0 s ASP 309 N -0.97 0.65 0.62 3.42 3.68 -1.26 -5.04 116.67 117.77 3kc0 s ASP 309 Ca 0.00 0.00 0.30 0.00 2.13 0.00 0.00 52.55 54.98 3kc0 s ASP 309 Cb 0.00 -0.20 1.64 0.00 -1.45 0.00 0.00 42.92 42.91 3kc0 s ASP 309 CO 0.00 -0.15 2.00 0.16 0.13 0.00 0.00 175.17 177.31 3kc0 h ILE 310 N 6.30 0.25 -0.22 4.11 3.07 -1.94 -1.03 117.51 128.04 3kc0 h ILE 310 Ca -0.34 0.00 -0.00 0.00 1.55 0.00 0.00 64.86 66.07 3kc0 h ILE 310 Cb 1.13 0.72 -0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3kc0 h ILE 310 CO 0.38 0.00 -0.00 1.41 -1.05 0.00 0.00 178.15 178.89 3kc0 n HIS 311 N -3.42 0.81 -2.13 0.16 8.25 -1.26 -4.50 115.22 113.13 3kc0 n HIS 311 Ca 0.02 -0.90 -0.38 0.00 -0.26 0.00 0.00 57.72 56.20 3kc0 n HIS 311 Cb 0.43 -0.29 0.00 0.00 1.12 0.00 0.00 29.99 31.25 3kc0 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kc0 s GLN 312 N -2.85 3.63 0.58 -0.41 -2.07 -0.39 -4.85 119.66 113.30 3kc0 s GLN 312 Ca 0.41 1.92 -0.02 0.00 -1.82 0.00 0.00 55.36 55.84 3kc0 s GLN 312 Cb 0.33 -2.40 0.03 0.00 -1.09 0.00 0.00 33.01 29.88 3kc0 s GLN 312 CO 0.08 -0.70 0.84 1.03 -1.32 0.00 0.00 175.29 175.22 3kc0 s ARG 313 N -2.71 2.61 -0.28 9.60 0.52 -1.26 -1.19 118.95 126.24 3kc0 s ARG 313 Ca 0.65 -0.45 -0.21 0.00 -0.52 0.00 0.00 55.73 55.19 3kc0 s ARG 313 Cb -0.32 -2.38 0.08 0.00 0.52 0.00 0.00 34.95 32.85 3kc0 s ARG 313 CO 0.39 -0.77 0.75 0.00 0.02 0.00 0.00 175.30 175.68 3kc0 s ALA 314 N -2.89 -1.86 0.63 2.13 0.00 -0.15 -4.62 121.76 115.00 3kc0 s ALA 314 Ca 0.56 2.18 -0.15 0.00 0.00 0.00 0.00 51.96 54.55 3kc0 s ALA 314 Cb -0.10 -1.32 -0.02 0.00 0.00 0.00 0.00 23.12 21.68 3kc0 s ALA 314 CO 0.41 -0.35 1.07 -2.14 0.00 0.00 0.00 175.76 174.76 3kc0 s PRO 315 N 0.90 3.07 -0.19 0.00 0.02 -0.73 -4.27 135.00 133.79 3kc0 s PRO 315 Ca -0.04 1.22 -0.12 0.00 0.02 0.00 0.00 61.00 62.09 3kc0 s PRO 315 Cb -0.05 -2.00 0.06 0.00 0.02 0.00 0.00 34.50 32.53 3kc0 s PRO 315 CO -0.08 -1.02 0.47 0.54 -0.33 0.00 0.00 177.00 176.58 3kc0 s VAL 316 N -2.52 -0.02 -0.12 3.83 0.11 -0.92 -4.27 120.40 116.49 3kc0 s VAL 316 Ca 0.64 0.06 -0.01 0.00 -2.93 0.00 0.00 61.98 59.74 3kc0 s VAL 316 Cb -0.17 -0.69 0.03 0.00 -1.53 0.00 0.00 36.38 34.02 3kc0 s VAL 316 CO 0.41 0.02 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.51 3kc0 s ILE 317 N 1.23 1.00 0.17 7.04 1.09 0.37 -1.70 121.20 130.40 3kc0 s ILE 317 Ca -0.08 -0.34 -0.02 0.00 -1.10 0.00 0.00 60.65 59.11 3kc0 s ILE 317 Cb -0.07 -1.07 -0.04 0.00 -1.06 0.00 0.00 42.46 40.23 3kc0 s ILE 317 CO -0.12 0.31 0.13 -1.48 -0.10 0.00 0.00 174.94 173.68 3kc0 s LEU 318 N 1.71 1.38 0.00 2.97 0.05 -0.47 -0.84 118.68 123.48 3kc0 s LEU 318 Ca 0.04 -1.24 0.00 0.00 0.05 0.00 0.00 54.13 52.98 3kc0 s LEU 318 Cb -0.13 0.48 0.00 0.00 -2.05 0.00 0.00 46.19 44.49 3kc0 s LEU 318 CO -0.08 -0.81 0.00 0.61 -0.55 0.00 0.00 176.35 175.52 3kc0 n GLY 319 N -0.19 0.66 3.65 -3.48 0.00 -0.82 -0.17 105.19 104.84 3kc0 n GLY 319 Ca -0.02 -1.76 -0.45 0.00 0.00 0.00 0.00 46.02 43.79 3kc0 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kc0 n SER 320 N 0.00 2.31 -0.02 1.61 7.64 0.12 -1.98 113.62 123.30 3kc0 n SER 320 Ca 0.00 1.17 -0.09 0.00 1.01 0.00 0.00 58.87 60.96 3kc0 n SER 320 Cb 0.00 -1.39 -0.02 0.00 -1.01 0.00 0.00 64.21 61.79 3kc0 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kc0 h PRO 321 N 3.28 -0.20 -0.39 1.43 0.13 -1.74 -1.26 132.00 133.25 3kc0 h PRO 321 Ca -0.44 0.01 0.06 0.00 -0.87 0.00 0.00 66.00 64.77 3kc0 h PRO 321 Cb 1.30 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 32.45 3kc0 h PRO 321 CO 0.69 -0.13 0.27 -0.44 -0.23 0.00 0.00 178.00 178.15 3kc0 h ASP 322 N -0.21 0.22 -0.04 1.44 5.19 -1.62 0.72 116.42 122.14 3kc0 h ASP 322 Ca 0.11 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.39 3kc0 h ASP 322 Cb 0.37 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.84 3kc0 h ASP 322 CO -0.30 0.15 -0.48 0.44 -3.12 0.00 0.00 179.24 175.93 3kc0 h ASP 323 N 0.26 0.49 -0.28 6.45 3.45 -1.58 -2.04 116.42 123.16 3kc0 h ASP 323 Ca 0.17 -0.71 -0.02 0.00 0.43 0.00 0.00 57.03 56.90 3kc0 h ASP 323 Cb 0.37 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.98 3kc0 h ASP 323 CO -0.03 1.13 0.10 0.58 -1.57 0.00 0.00 179.24 179.44 3kc0 h VAL 324 N -0.11 1.19 -0.81 -1.35 2.07 -0.81 -1.86 116.25 114.57 3kc0 h VAL 324 Ca -0.05 -0.60 0.09 0.00 0.82 0.00 0.00 66.70 66.96 3kc0 h VAL 324 Cb 1.17 1.07 -0.07 0.00 -1.52 0.00 0.00 31.29 31.94 3kc0 h VAL 324 CO 0.10 0.20 0.46 -0.07 0.02 0.00 0.00 177.57 178.28 3kc0 h LEU 325 N 0.29 0.66 -0.62 2.57 4.07 -0.93 0.25 115.31 121.60 3kc0 h LEU 325 Ca 0.09 0.05 -0.02 0.00 0.08 0.00 0.00 57.88 58.07 3kc0 h LEU 325 Cb 0.22 -0.08 -0.03 0.00 1.08 0.00 0.00 40.66 41.85 3kc0 h LEU 325 CO -0.00 0.38 0.29 -0.08 -1.08 0.00 0.00 178.44 177.95 3kc0 h GLU 326 N 0.78 0.89 -0.25 1.13 4.81 -1.03 -1.52 114.58 119.40 3kc0 h GLU 326 Ca 0.39 -0.14 -0.00 0.00 -0.13 0.00 0.00 59.36 59.48 3kc0 h GLU 326 Cb 0.34 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.55 3kc0 h GLU 326 CO -0.24 0.73 0.15 0.35 -0.73 0.00 0.00 179.01 179.27 3kc0 h PHE 327 N 0.85 0.32 -0.50 0.92 3.57 -0.38 -2.37 116.94 119.35 3kc0 h PHE 327 Ca 0.21 0.00 0.07 0.00 3.53 0.00 0.00 57.97 61.78 3kc0 h PHE 327 Cb 0.13 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.74 3kc0 h PHE 327 CO 0.00 0.23 0.34 -0.07 -2.23 0.00 0.00 178.31 176.58 3kc0 h LEU 328 N 0.32 0.36 -0.44 0.59 3.38 -0.56 0.30 115.31 119.25 3kc0 h LEU 328 Ca 0.09 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.99 3kc0 h LEU 328 Cb 0.00 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 3kc0 h LEU 328 CO -0.02 0.24 0.01 0.50 0.09 0.00 0.00 178.44 179.26 3kc0 h LYS 329 N 0.41 0.78 -0.33 1.13 3.64 -0.78 -0.35 116.57 121.06 3kc0 h LYS 329 Ca 0.22 -0.24 -0.14 0.00 -1.27 0.00 0.00 60.65 59.22 3kc0 h LYS 329 Cb 0.34 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 3kc0 h LYS 329 CO -0.06 0.84 -0.34 0.28 -2.27 0.00 0.00 179.45 177.90 3kc0 h VAL 330 N 0.62 1.28 -0.63 2.00 2.07 -0.80 -1.95 116.25 118.84 3kc0 h VAL 330 Ca 0.13 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.15 3kc0 h VAL 330 Cb 0.48 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 3kc0 h VAL 330 CO 0.02 0.49 0.39 0.22 0.02 0.00 0.00 177.57 178.70 3kc0 h TYR 331 N 0.63 0.82 -0.27 1.57 3.20 -0.12 -2.47 116.97 120.33 3kc0 h TYR 331 Ca 0.06 0.00 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 3kc0 h TYR 331 Cb 0.87 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.86 3kc0 h TYR 331 CO 0.04 0.55 -0.34 0.93 -1.64 0.00 0.00 178.16 177.70 3kc0 h GLU 332 N 0.85 0.59 -0.16 1.82 5.08 -0.92 -2.22 114.58 119.61 3kc0 h GLU 332 Ca 0.23 -0.27 0.05 0.00 -1.00 0.00 0.00 59.36 58.36 3kc0 h GLU 332 Cb -0.04 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 3kc0 h GLU 332 CO -0.04 0.85 0.16 -0.22 -1.00 0.00 0.00 179.01 178.76 3kc0 h LYS 333 N 0.50 0.00 -0.72 2.33 3.64 -0.89 0.12 116.57 121.54 3kc0 h LYS 333 Ca 0.05 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.14 3kc0 h LYS 333 Cb 0.83 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 32.48 3kc0 h LYS 333 CO 0.07 0.00 0.32 0.72 -2.27 0.00 0.00 179.45 178.29 3kc0 n HIS 334 N -3.93 2.30 -0.98 1.91 8.25 -0.84 -5.11 115.22 116.81 3kc0 n HIS 334 Ca 0.01 -1.47 0.00 0.00 -0.26 0.00 0.00 57.72 56.00 3kc0 n HIS 334 Cb 0.29 -0.71 0.00 0.00 1.12 0.00 0.00 29.99 30.68 3kc0 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41