#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 3.29 -3.83 2.12 3.14 -1.26 -5.02 118.33 116.77 3kc0 n VAL 10 Ca 0.00 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.76 3kc0 n VAL 10 Cb 0.00 -1.10 -0.13 0.00 -1.06 0.00 0.00 33.84 31.55 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 -1.14 -0.09 0.33 6.55 2.47 -1.26 -5.07 114.94 116.72 3kc0 s ASN 11 Ca 0.73 0.19 0.09 0.00 0.42 0.00 0.00 52.86 54.28 3kc0 s ASN 11 Cb -0.44 0.18 -0.05 0.00 -1.45 0.00 0.00 41.25 39.49 3kc0 s ASN 11 CO 0.50 -0.04 0.07 0.42 -3.72 0.00 0.00 177.10 174.32 3kc0 s THR 12 N 0.15 2.87 0.21 -5.21 -4.23 -1.26 -0.57 115.64 107.60 3kc0 s THR 12 Ca -0.01 -1.84 -0.11 0.00 -1.18 0.00 0.00 61.69 58.55 3kc0 s THR 12 Cb -0.02 -2.88 0.15 0.00 1.34 0.00 0.00 72.50 71.09 3kc0 s THR 12 CO -0.00 -0.21 1.87 0.25 -0.54 0.00 0.00 174.62 175.99 3kc0 h LEU 13 N 1.70 0.82 -0.04 4.79 5.85 -1.46 -0.12 115.31 126.84 3kc0 h LEU 13 Ca -0.43 -0.02 0.01 0.00 0.84 0.00 0.00 57.88 58.28 3kc0 h LEU 13 Cb 1.25 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 42.07 3kc0 h LEU 13 CO 0.65 0.59 -0.01 0.74 -0.34 0.00 0.00 178.44 180.07 3kc0 h THR 14 N 0.97 0.96 -0.49 1.05 2.02 -1.96 0.05 112.91 115.52 3kc0 h THR 14 Ca 0.27 -0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.43 3kc0 h THR 14 Cb -0.09 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.26 3kc0 h THR 14 CO -0.07 0.00 0.24 -0.09 0.37 0.00 0.00 175.52 175.97 3kc0 h ARG 15 N 0.00 0.70 0.59 6.66 2.43 -1.90 -1.31 114.38 121.55 3kc0 h ARG 15 Ca 0.02 -0.10 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 3kc0 h ARG 15 Cb 0.03 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.45 3kc0 h ARG 15 CO -0.04 0.58 -0.29 0.35 -1.51 0.00 0.00 179.97 179.06 3kc0 h PHE 16 N 0.64 -0.75 -0.66 2.20 3.57 -0.80 -1.59 116.94 119.55 3kc0 h PHE 16 Ca 0.17 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.66 3kc0 h PHE 16 Cb 0.11 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.07 3kc0 h PHE 16 CO -0.01 -0.46 0.43 0.28 -2.23 0.00 0.00 178.31 176.32 3kc0 h VAL 17 N -0.80 1.17 -0.47 1.41 2.07 -0.97 -1.22 116.25 117.45 3kc0 h VAL 17 Ca -0.08 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.09 3kc0 h VAL 17 Cb 0.62 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 3kc0 h VAL 17 CO 0.13 0.17 0.15 -0.03 0.02 0.00 0.00 177.57 178.01 3kc0 h MET 18 N 0.89 0.72 -0.13 1.57 1.85 -1.05 -0.56 114.93 118.23 3kc0 h MET 18 Ca 0.24 -0.15 -0.04 0.00 -0.61 0.00 0.00 59.70 59.14 3kc0 h MET 18 Cb -0.10 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 31.82 3kc0 h MET 18 CO -0.05 0.68 -0.06 1.49 -0.40 0.00 0.00 176.91 178.57 3kc0 h GLU 19 N 0.62 0.27 -0.43 0.39 4.81 -0.80 -0.52 114.58 118.92 3kc0 h GLU 19 Ca 0.15 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 3kc0 h GLU 19 Cb 0.25 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.60 3kc0 h GLU 19 CO -0.01 0.60 0.27 0.93 -0.73 0.00 0.00 179.01 180.07 3kc0 h GLU 20 N -0.07 0.57 -0.34 1.92 4.39 -1.22 -1.18 114.58 118.64 3kc0 h GLU 20 Ca 0.03 -0.04 -0.16 0.00 0.34 0.00 0.00 59.36 59.53 3kc0 h GLU 20 Cb 0.52 -0.13 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3kc0 h GLU 20 CO 0.02 0.39 -0.43 0.78 -1.16 0.00 0.00 179.01 178.61 3kc0 h GLY 21 N 0.61 0.96 0.99 -3.84 0.00 -0.90 -2.62 103.07 98.27 3kc0 h GLY 21 Ca 0.16 -1.02 -0.03 0.00 0.00 0.00 0.00 47.33 46.44 3kc0 h GLY 21 CO -0.03 0.92 0.25 -0.09 0.00 0.00 0.00 176.54 177.59 3kc0 h ARG 22 N 0.71 0.84 -0.75 4.80 2.43 -0.34 -2.57 114.38 119.49 3kc0 h ARG 22 Ca 0.05 -0.14 -0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3kc0 h ARG 22 Cb 1.02 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 30.39 3kc0 h ARG 22 CO 0.10 0.70 0.41 0.87 -1.51 0.00 0.00 179.97 180.54 3kc0 h LYS 23 N 0.78 1.04 0.00 0.20 1.57 -1.18 -1.94 116.57 117.03 3kc0 h LYS 23 Ca 0.19 -0.11 -0.01 0.00 -1.87 0.00 0.00 60.65 58.85 3kc0 h LYS 23 Cb 0.15 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.26 3kc0 h LYS 23 CO -0.02 0.76 -0.05 0.00 -0.57 0.00 0.00 179.45 179.57 3kc0 h ALA 24 N 1.40 1.21 -6.06 3.86 0.00 -1.07 -3.47 119.26 115.13 3kc0 h ALA 24 Ca 0.26 -0.05 -0.40 0.00 0.00 0.00 0.00 54.91 54.73 3kc0 h ALA 24 Cb 0.03 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 17.89 3kc0 h ALA 24 CO -0.04 0.06 -0.88 0.54 0.00 0.00 0.00 179.25 178.94 3kc0 n ARG 25 N -3.44 -3.18 0.00 0.00 1.74 -0.73 -5.00 116.66 106.05 3kc0 n ARG 25 Ca -0.02 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.65 3kc0 n ARG 25 Cb 0.18 -4.89 0.00 0.00 -1.02 0.00 0.00 32.46 26.73 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 -1.58 4.98 0.18 -0.13 0.00 -1.26 -5.03 105.19 102.35 3kc0 n GLY 26 Ca -0.20 -1.86 0.06 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 0.72 0.00 2.61 1.35 -1.94 -3.47 112.91 112.19 3kc0 h THR 27 Ca 0.00 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.23 3kc0 h THR 27 Cb 0.00 2.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 3kc0 h THR 27 CO 0.00 0.35 0.00 0.61 -0.25 0.00 0.00 175.52 176.23 3kc0 n GLY 28 N 0.63 0.67 0.16 5.82 0.00 -1.26 -4.98 105.19 106.22 3kc0 n GLY 28 Ca 0.01 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.90 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 4.29 -0.28 -0.89 1.61 5.08 -1.96 -2.32 114.58 120.11 3kc0 h GLU 29 Ca 0.00 0.02 0.10 0.00 -1.00 0.00 0.00 59.36 58.48 3kc0 h GLU 29 Cb 0.00 0.06 -0.07 0.00 0.50 0.00 0.00 28.75 29.25 3kc0 h GLU 29 CO 0.00 -0.18 0.58 1.25 -1.00 0.00 0.00 179.01 179.65 3kc0 h LEU 30 N -0.29 0.80 -0.41 1.33 5.85 -1.93 0.21 115.31 120.86 3kc0 h LEU 30 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 3kc0 h LEU 30 Cb 0.25 -0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 3kc0 h LEU 30 CO -0.00 0.46 0.27 0.74 -0.34 0.00 0.00 178.44 179.57 3kc0 h THR 31 N 0.88 1.12 -0.53 1.05 2.02 -1.82 0.11 112.91 115.73 3kc0 h THR 31 Ca 0.42 -0.24 -0.04 0.00 0.77 0.00 0.00 66.41 67.32 3kc0 h THR 31 Cb 0.43 0.53 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 3kc0 h THR 31 CO -0.18 0.12 0.20 1.56 0.37 0.00 0.00 175.52 177.58 3kc0 h GLN 32 N 0.56 0.81 0.15 6.66 1.08 -0.51 -1.53 115.11 122.32 3kc0 h GLN 32 Ca 0.15 -0.16 0.01 0.00 -1.45 0.00 0.00 58.65 57.20 3kc0 h GLN 32 Cb -0.04 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.25 3kc0 h GLN 32 CO -0.03 0.73 -0.16 1.25 -0.95 0.00 0.00 178.83 179.67 3kc0 h LEU 33 N 0.73 -0.42 -1.00 1.46 6.46 -0.16 -1.13 115.31 121.25 3kc0 h LEU 33 Ca 0.18 0.04 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 3kc0 h LEU 33 Cb 0.23 0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.28 3kc0 h LEU 33 CO -0.01 -0.23 0.27 -0.07 -0.62 0.00 0.00 178.44 177.77 3kc0 h LEU 34 N -0.34 0.90 -0.38 2.25 3.38 -0.90 -0.56 115.31 119.67 3kc0 h LEU 34 Ca 0.01 -0.13 0.01 0.00 0.09 0.00 0.00 57.88 57.87 3kc0 h LEU 34 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3kc0 h LEU 34 CO -0.05 0.81 0.23 0.78 0.09 0.00 0.00 178.44 180.29 3kc0 h ASN 35 N 0.97 0.37 -0.34 -0.43 -0.26 -1.02 0.39 115.58 115.26 3kc0 h ASN 35 Ca 0.23 0.00 0.01 0.00 -0.56 0.00 0.00 56.30 55.97 3kc0 h ASN 35 Cb 0.19 -0.08 -0.02 0.00 -1.06 0.00 0.00 38.32 37.35 3kc0 h ASN 35 CO -0.02 0.27 0.22 0.28 -1.06 0.00 0.00 177.43 177.12 3kc0 h SER 36 N 0.46 0.38 -0.68 5.81 0.02 -0.63 -1.33 113.55 117.58 3kc0 h SER 36 Ca 0.15 -0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.08 3kc0 h SER 36 Cb -0.00 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.41 3kc0 h SER 36 CO -0.06 0.28 0.36 0.25 -1.14 0.00 0.00 176.83 176.52 3kc0 h LEU 37 N 0.46 0.85 -0.29 5.07 5.85 -0.81 -1.45 115.31 125.00 3kc0 h LEU 37 Ca 0.13 -0.10 0.03 0.00 0.84 0.00 0.00 57.88 58.78 3kc0 h LEU 37 Cb -0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 3kc0 h LEU 37 CO -0.03 0.71 0.11 0.00 -0.34 0.00 0.00 178.44 178.88 3kc0 h THR 39 N 0.24 1.21 -0.31 0.00 2.02 -0.97 -1.61 112.91 113.49 3kc0 h THR 39 Ca 0.13 -0.50 0.02 0.00 0.77 0.00 0.00 66.41 66.82 3kc0 h THR 39 Cb 0.09 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.74 3kc0 h THR 39 CO -0.12 0.23 0.16 0.00 0.37 0.00 0.00 175.52 176.16 3kc0 h ALA 40 N 1.21 0.38 -0.80 6.16 0.00 -0.51 -1.16 119.26 124.54 3kc0 h ALA 40 Ca 0.25 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.21 3kc0 h ALA 40 Cb 0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.68 3kc0 h ALA 40 CO -0.04 -0.21 0.49 0.28 0.00 0.00 0.00 179.25 179.77 3kc0 h VAL 41 N 0.34 1.06 -0.63 0.00 2.07 -0.35 0.16 116.25 118.90 3kc0 h VAL 41 Ca 0.13 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.32 3kc0 h VAL 41 Cb 0.03 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 29.82 3kc0 h VAL 41 CO -0.08 0.17 0.36 0.11 0.02 0.00 0.00 177.57 178.15 3kc0 h LYS 42 N 0.92 0.86 -0.31 1.57 1.57 -0.75 0.16 116.57 120.59 3kc0 h LYS 42 Ca 0.34 -0.09 0.01 0.00 -1.87 0.00 0.00 60.65 59.04 3kc0 h LYS 42 Cb 0.11 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 3kc0 h LYS 42 CO -0.15 0.63 0.18 0.00 -0.57 0.00 0.00 179.45 179.54 3kc0 h ALA 43 N 1.18 0.39 -0.38 3.86 0.00 0.01 -0.87 119.26 123.45 3kc0 h ALA 43 Ca 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.13 3kc0 h ALA 43 Cb 0.01 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3kc0 h ALA 43 CO -0.04 -0.19 0.24 0.82 0.00 0.00 0.00 179.25 180.08 3kc0 h ILE 44 N 0.37 1.11 -0.46 0.00 2.04 -0.23 -2.04 117.51 118.30 3kc0 h ILE 44 Ca 0.12 -0.23 0.07 0.00 1.00 0.00 0.00 64.86 65.82 3kc0 h ILE 44 Cb 0.00 0.58 -0.06 0.00 -0.74 0.00 0.00 36.82 36.61 3kc0 h ILE 44 CO -0.06 0.11 0.14 -1.28 0.00 0.00 0.00 178.15 177.06 3kc0 h SER 45 N 0.51 0.11 -0.33 1.72 0.87 -0.23 0.38 113.55 116.58 3kc0 h SER 45 Ca 0.14 0.06 0.04 0.00 -1.23 0.00 0.00 61.79 60.81 3kc0 h SER 45 Cb -0.03 0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3kc0 h SER 45 CO -0.03 0.09 0.08 -1.28 -0.53 0.00 0.00 176.83 175.16 3kc0 h SER 46 N 0.29 0.05 -0.28 6.23 0.87 -0.82 -0.74 113.55 119.15 3kc0 h SER 46 Ca 0.22 0.05 -0.01 0.00 -1.23 0.00 0.00 61.79 60.82 3kc0 h SER 46 Cb 0.25 0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 62.25 3kc0 h SER 46 CO -0.25 0.06 0.13 0.00 -0.53 0.00 0.00 176.83 176.24 3kc0 h ALA 47 N 1.23 0.36 -1.01 6.23 0.00 -0.58 -2.66 119.26 122.83 3kc0 h ALA 47 Ca 0.15 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.01 3kc0 h ALA 47 Cb 0.15 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3kc0 h ALA 47 CO -0.18 -0.07 0.66 0.28 0.00 0.00 0.00 179.25 179.93 3kc0 h VAL 48 N 0.31 1.15 0.00 0.00 2.07 0.17 0.16 116.25 120.12 3kc0 h VAL 48 Ca 0.10 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.19 3kc0 h VAL 48 Cb 0.14 -0.20 0.00 0.00 -1.52 0.00 0.00 31.29 29.70 3kc0 h VAL 48 CO -0.01 0.23 0.00 0.54 0.02 0.00 0.00 177.57 178.35 3kc0 n ARG 49 N -4.46 0.86 -2.46 1.57 3.00 -0.32 -4.87 116.66 109.97 3kc0 n ARG 49 Ca 0.14 0.00 -0.17 0.00 -0.01 0.00 0.00 57.85 57.81 3kc0 n ARG 49 Cb 0.12 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.46 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 -2.04 -1.71 5.56 4.76 0.04 -4.96 118.16 119.48 3kc0 n LYS 50 Ca 0.00 0.81 -0.43 0.00 -2.87 0.00 0.00 58.31 55.82 3kc0 n LYS 50 Cb 0.06 -5.27 -0.03 0.00 -1.84 0.00 0.00 35.03 27.95 3kc0 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc0 n ALA 51 N -2.18 2.54 -0.96 7.82 0.00 -1.02 -1.67 120.51 125.03 3kc0 n ALA 51 Ca -0.17 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.67 3kc0 n ALA 51 Cb 0.64 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.60 3kc0 n ALA 51 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 52 N 3.77 0.89 0.36 0.00 0.00 -1.26 -4.87 105.19 104.07 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 0.30 -0.53 -0.61 2.10 -1.72 -0.20 117.51 116.84 3kc0 h ILE 53 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kc0 h ILE 53 Cb 0.00 0.72 -0.03 0.00 -1.09 0.00 0.00 36.82 36.42 3kc0 h ILE 53 CO 0.00 0.00 0.34 0.00 -1.08 0.00 0.00 178.15 177.41 3kc0 h ALA 54 N 1.56 1.60 -0.06 0.18 0.00 -1.90 -0.74 119.26 119.90 3kc0 h ALA 54 Ca 0.11 -0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 3kc0 h ALA 54 Cb 0.77 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3kc0 h ALA 54 CO -0.00 0.36 -0.49 0.45 0.00 0.00 0.00 179.25 179.57 3kc0 h HIS 55 N 0.72 0.18 0.00 0.00 3.86 -1.42 -1.72 115.15 116.77 3kc0 h HIS 55 Ca 0.19 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.30 3kc0 h HIS 55 Cb -0.07 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.36 3kc0 h HIS 55 CO 0.00 0.61 -0.23 -0.07 0.86 0.00 0.00 177.93 179.10 3kc0 h LEU 56 N 0.12 0.00 -3.63 2.43 3.38 -1.21 -2.65 115.31 113.75 3kc0 h LEU 56 Ca 0.00 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.88 3kc0 h LEU 56 Cb 0.91 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.60 3kc0 h LEU 56 CO 0.07 0.23 0.12 -1.22 0.09 0.00 0.00 178.44 177.73 3kc0 n TYR 57 N -3.61 2.27 -1.60 1.13 4.02 -0.76 -4.96 117.16 113.64 3kc0 n TYR 57 Ca -0.01 -0.93 -0.04 0.00 -0.01 0.00 0.00 57.90 56.91 3kc0 n TYR 57 Cb 0.36 -0.59 -0.01 0.00 -0.02 0.00 0.00 39.34 39.08 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 0.30 0.45 0.34 2.72 0.00 -1.00 -4.94 105.19 103.06 3kc0 n GLY 58 Ca 0.34 -0.80 0.09 0.00 0.00 0.00 0.00 46.02 45.65 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 0.97 -0.50 -0.61 2.10 -1.54 -0.71 117.51 117.22 3kc0 h ILE 59 Ca -0.09 -0.18 0.00 0.00 1.08 0.00 0.00 64.86 65.67 3kc0 h ILE 59 Cb 0.67 0.40 0.00 0.00 -1.09 0.00 0.00 36.82 36.81 3kc0 h ILE 59 CO 0.12 0.09 0.00 0.00 -1.08 0.00 0.00 178.15 177.29 3kc0 n ALA 60 N -2.49 3.48 0.00 0.18 0.00 -1.26 -5.07 120.51 115.34 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 0.27 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.74 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 0.42 0.41 0.00 0.00 0.00 -0.28 -5.20 105.19 100.54 3kc0 n GLY 61 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 3kc0 n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kc0 n LYS 71 N -1.89 0.00 -3.59 1.61 2.85 -1.26 -4.77 118.16 111.11 3kc0 n LYS 71 Ca 0.00 0.00 -0.14 0.00 -1.05 0.00 0.00 58.31 57.12 3kc0 n LYS 71 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 3kc0 n LYS 71 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 3kc0 s LYS 72 N 0.00 0.83 0.20 -1.58 2.20 -1.26 -5.05 119.74 115.08 3kc0 s LYS 72 Ca 0.00 0.63 -0.12 0.00 -0.36 0.00 0.00 55.97 56.12 3kc0 s LYS 72 Cb 0.00 0.40 0.14 0.00 -1.51 0.00 0.00 37.83 36.86 3kc0 s LYS 72 CO 0.00 -0.17 1.85 1.25 -0.36 0.00 0.00 175.35 177.92 3kc0 h LEU 73 N 4.02 0.70 -0.22 5.43 5.85 -2.00 -1.33 115.31 127.77 3kc0 h LEU 73 Ca -0.27 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.46 3kc0 h LEU 73 Cb 1.16 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 42.00 3kc0 h LEU 73 CO 0.19 0.50 0.08 0.44 -0.34 0.00 0.00 178.44 179.31 3kc0 h ASP 74 N 0.84 0.09 -0.47 1.25 3.45 -1.96 0.13 116.42 119.74 3kc0 h ASP 74 Ca 0.25 0.02 -0.06 0.00 0.43 0.00 0.00 57.03 57.67 3kc0 h ASP 74 Cb -0.05 0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.72 3kc0 h ASP 74 CO -0.08 0.08 0.08 0.58 -1.57 0.00 0.00 179.24 178.33 3kc0 h VAL 75 N 0.18 1.25 -0.49 -1.35 2.07 -1.90 -0.53 116.25 115.47 3kc0 h VAL 75 Ca 0.09 -0.91 -0.00 0.00 0.82 0.00 0.00 66.70 66.70 3kc0 h VAL 75 Cb 0.06 0.92 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3kc0 h VAL 75 CO -0.10 0.32 0.30 0.25 0.02 0.00 0.00 177.57 178.36 3kc0 h LEU 76 N 0.65 0.59 -0.80 2.57 5.85 -1.01 -0.34 115.31 122.82 3kc0 h LEU 76 Ca 0.14 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3kc0 h LEU 76 Cb 0.39 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.23 3kc0 h LEU 76 CO 0.01 0.48 0.51 0.28 -0.34 0.00 0.00 178.44 179.37 3kc0 h SER 77 N 0.66 0.95 -0.65 1.25 0.02 -0.52 -0.37 113.55 114.89 3kc0 h SER 77 Ca 0.18 -0.05 -0.09 0.00 -0.84 0.00 0.00 61.79 60.99 3kc0 h SER 77 Cb -0.01 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3kc0 h SER 77 CO -0.03 0.71 0.07 -1.13 -1.14 0.00 0.00 176.83 175.31 3kc0 h ASN 78 N 1.10 1.07 -0.72 3.07 -1.24 -0.69 -2.25 115.58 115.92 3kc0 h ASN 78 Ca 0.29 -0.28 -0.07 0.00 0.71 0.00 0.00 56.30 56.95 3kc0 h ASN 78 Cb -0.08 -0.29 -0.03 0.00 0.73 0.00 0.00 38.32 38.66 3kc0 h ASN 78 CO -0.06 1.08 0.18 0.44 -1.29 0.00 0.00 177.43 177.79 3kc0 h ASP 79 N 1.03 1.09 0.15 1.15 3.32 -0.44 -0.64 116.42 122.07 3kc0 h ASP 79 Ca 0.19 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 57.01 3kc0 h ASP 79 Cb 0.49 -0.29 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3kc0 h ASP 79 CO 0.02 1.04 -0.07 -0.07 -1.72 0.00 0.00 179.24 178.44 3kc0 h LEU 80 N 1.09 -0.17 -0.40 1.55 3.38 -0.84 0.09 115.31 120.02 3kc0 h LEU 80 Ca 0.23 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.07 3kc0 h LEU 80 Cb 0.37 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 3kc0 h LEU 80 CO 0.00 0.01 0.17 0.58 0.09 0.00 0.00 178.44 179.28 3kc0 h VAL 81 N -0.33 1.19 0.05 1.22 2.07 -1.36 -0.27 116.25 118.82 3kc0 h VAL 81 Ca -0.02 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3kc0 h VAL 81 Cb 0.26 0.83 -0.04 0.00 -1.52 0.00 0.00 31.29 30.83 3kc0 h VAL 81 CO 0.03 0.21 -0.22 0.24 0.02 0.00 0.00 177.57 177.85 3kc0 h MET 82 N 0.50 -0.37 -0.42 1.57 2.86 -1.05 0.28 114.93 118.30 3kc0 h MET 82 Ca 0.13 0.02 -0.12 0.00 -2.06 0.00 0.00 59.70 57.68 3kc0 h MET 82 Cb 0.17 0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.90 3kc0 h MET 82 CO -0.01 -0.24 -0.20 -0.91 1.06 0.00 0.00 176.91 176.60 3kc0 h ASN 83 N -0.38 0.90 -0.54 1.22 2.35 -0.90 -0.96 115.58 117.27 3kc0 h ASN 83 Ca 0.05 -0.40 -0.08 0.00 -0.55 0.00 0.00 56.30 55.32 3kc0 h ASN 83 Cb 0.43 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.53 3kc0 h ASN 83 CO -0.17 1.11 0.06 0.24 -1.65 0.00 0.00 177.43 177.02 3kc0 h MET 84 N 0.70 0.96 -0.13 0.81 2.86 -0.93 -0.84 114.93 118.36 3kc0 h MET 84 Ca 0.09 -0.25 -0.04 0.00 -2.06 0.00 0.00 59.70 57.44 3kc0 h MET 84 Cb 0.76 -0.11 -0.00 0.00 0.06 0.00 0.00 31.60 32.31 3kc0 h MET 84 CO 0.06 0.91 -0.07 -0.07 1.06 0.00 0.00 176.91 178.80 3kc0 h LEU 85 N 0.89 0.28 -0.20 1.22 3.38 -0.86 -2.67 115.31 117.36 3kc0 h LEU 85 Ca 0.18 -0.42 0.03 0.00 0.09 0.00 0.00 57.88 57.76 3kc0 h LEU 85 Cb 0.44 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3kc0 h LEU 85 CO 0.02 0.64 -0.02 0.11 0.09 0.00 0.00 178.44 179.28 3kc0 h LYS 86 N -0.07 0.04 0.00 1.13 1.57 -1.06 -1.77 116.57 116.41 3kc0 h LYS 86 Ca 0.03 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3kc0 h LYS 86 Cb 0.53 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.84 3kc0 h LYS 86 CO 0.02 0.03 0.00 -1.13 -0.57 0.00 0.00 179.45 177.80 3kc0 n SER 87 N -5.16 0.00 0.18 0.86 3.41 -0.33 -2.52 113.62 110.06 3kc0 n SER 87 Ca -0.03 -0.15 0.10 0.00 -0.26 0.00 0.00 58.87 58.53 3kc0 n SER 87 Cb 0.11 -0.15 0.11 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.65 4.04 4.64 -0.95 -3.47 113.55 117.16 3kc0 h SER 88 Ca 0.00 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 61.04 3kc0 h SER 88 Cb 0.06 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.04 3kc0 h SER 88 CO 0.00 0.12 -0.25 0.49 -0.87 0.00 0.00 176.83 176.32 3kc0 n PHE 89 N -3.06 0.00 0.19 4.77 3.01 -1.05 -4.76 117.46 116.55 3kc0 n PHE 89 Ca 0.03 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.52 3kc0 n PHE 89 Cb 0.58 -2.48 0.05 0.00 -0.01 0.00 0.00 39.48 37.63 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 1.25 2.38 -2.41 4.37 0.00 -1.26 -3.49 120.51 121.35 3kc0 n ALA 90 Ca -0.14 -0.71 -0.21 0.00 0.00 0.00 0.00 53.44 52.39 3kc0 n ALA 90 Cb 0.46 -0.26 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.72 1.88 0.00 0.00 -4.23 -1.26 -1.30 115.64 110.01 3kc0 s THR 91 Ca 0.10 -2.22 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3kc0 s THR 91 Cb 0.07 -2.26 0.00 0.00 1.34 0.00 0.00 72.50 71.65 3kc0 s THR 91 CO 0.09 -0.44 0.00 0.00 -0.54 0.00 0.00 174.62 173.73 3kc0 s VAL 93 N -1.01 0.24 -0.15 0.00 1.01 -1.25 -1.45 120.40 117.79 3kc0 s VAL 93 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 61.98 62.17 3kc0 s VAL 93 Cb 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 35.98 3kc0 s VAL 93 CO 0.00 0.22 -0.18 -0.76 0.00 0.00 0.00 175.10 174.38 3kc0 s LEU 94 N 1.81 2.34 -0.20 3.92 1.43 0.64 -1.82 118.68 126.81 3kc0 s LEU 94 Ca 0.02 -0.52 -0.02 0.00 -1.03 0.00 0.00 54.13 52.58 3kc0 s LEU 94 Cb -0.12 -1.52 -0.00 0.00 0.03 0.00 0.00 46.19 44.58 3kc0 s LEU 94 CO -0.04 0.09 -0.10 -0.69 0.23 0.00 0.00 176.35 175.84 3kc0 s VAL 95 N 0.79 2.93 -0.02 -1.59 1.01 -0.47 0.10 120.40 123.15 3kc0 s VAL 95 Ca -0.06 -0.65 0.05 0.00 0.00 0.00 0.00 61.98 61.31 3kc0 s VAL 95 Cb -0.15 -2.29 -0.01 0.00 0.00 0.00 0.00 36.38 33.92 3kc0 s VAL 95 CO -0.00 0.47 -0.17 -0.55 0.00 0.00 0.00 175.10 174.85 3kc0 s SER 96 N 1.26 1.96 0.46 3.32 0.15 -1.26 -1.34 113.70 118.25 3kc0 s SER 96 Ca 0.03 -0.30 0.22 0.00 0.70 0.00 0.00 55.95 56.60 3kc0 s SER 96 Cb -0.14 -0.25 1.23 0.00 -1.71 0.00 0.00 66.02 65.14 3kc0 s SER 96 CO -0.05 0.20 1.87 -0.08 1.20 0.00 0.00 173.24 176.38 3kc0 h GLU 97 N 5.79 0.25 0.00 5.44 4.22 -1.89 0.86 114.58 129.24 3kc0 h GLU 97 Ca -0.36 -0.01 -0.08 0.00 0.08 0.00 0.00 59.36 58.99 3kc0 h GLU 97 Cb 1.15 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.34 3kc0 h GLU 97 CO 0.48 0.16 -0.37 0.93 -2.18 0.00 0.00 179.01 178.03 3kc0 h GLU 98 N 0.25 0.00 -5.56 1.92 4.39 -1.95 -3.45 114.58 110.18 3kc0 h GLU 98 Ca 0.44 0.00 -0.65 0.00 0.34 0.00 0.00 59.36 59.50 3kc0 h GLU 98 Cb 1.32 0.00 -0.14 0.00 -0.10 0.00 0.00 28.75 29.83 3kc0 h GLU 98 CO -0.12 0.37 -0.57 -0.51 -1.16 0.00 0.00 179.01 177.03 3kc0 s ASP 99 N -6.37 5.60 0.13 1.42 1.01 0.29 -5.00 116.67 113.75 3kc0 s ASP 99 Ca 0.02 0.16 -0.16 0.00 0.71 0.00 0.00 52.55 53.27 3kc0 s ASP 99 Cb 0.10 -1.82 -0.02 0.00 1.01 0.00 0.00 42.92 42.19 3kc0 s ASP 99 CO 0.69 0.28 1.68 0.50 0.21 0.00 0.00 175.17 178.53 3kc0 h LYS 100 N 5.89 0.55 -6.33 8.23 3.64 -1.87 -3.42 116.57 123.27 3kc0 h LYS 100 Ca -0.44 -0.10 -0.60 0.00 -1.27 0.00 0.00 60.65 58.24 3kc0 h LYS 100 Cb 1.19 -0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.81 3kc0 h LYS 100 CO 0.63 0.53 -0.65 -1.01 -2.27 0.00 0.00 179.45 176.67 3kc0 s HIS 101 N -5.57 2.87 0.50 1.91 3.76 -1.26 -4.98 115.29 112.52 3kc0 s HIS 101 Ca -0.13 -0.13 -0.23 0.00 -0.15 0.00 0.00 55.06 54.42 3kc0 s HIS 101 Cb 0.10 -1.39 -0.06 0.00 1.11 0.00 0.00 32.58 32.34 3kc0 s HIS 101 CO 0.75 0.52 1.30 0.00 -0.85 0.00 0.00 174.74 176.46 3kc0 s ALA 102 N -1.72 2.93 -0.19 -1.40 0.00 -1.26 -4.78 121.76 115.33 3kc0 s ALA 102 Ca 0.28 1.22 -0.14 0.00 0.00 0.00 0.00 51.96 53.32 3kc0 s ALA 102 Cb -0.09 -3.51 -0.04 0.00 0.00 0.00 0.00 23.12 19.47 3kc0 s ALA 102 CO 0.19 -1.12 0.33 0.42 0.00 0.00 0.00 175.76 175.58 3kc0 s ILE 103 N -1.36 5.26 -0.31 0.00 -1.09 0.28 -4.92 121.20 119.07 3kc0 s ILE 103 Ca 0.67 0.58 -0.14 0.00 -2.23 0.00 0.00 60.65 59.53 3kc0 s ILE 103 Cb -0.37 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 36.82 3kc0 s ILE 103 CO 0.45 0.32 0.32 -0.63 -1.23 0.00 0.00 174.94 174.17 3kc0 s ILE 104 N 0.93 5.21 0.29 2.92 -1.09 -1.26 -0.26 121.20 127.95 3kc0 s ILE 104 Ca 0.17 0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 58.49 3kc0 s ILE 104 Cb -0.14 -3.71 -0.11 0.00 -1.58 0.00 0.00 42.46 36.92 3kc0 s ILE 104 CO 0.06 0.06 1.51 -0.69 -1.23 0.00 0.00 174.94 174.65 3kc0 s VAL 105 N 1.95 2.31 0.53 2.92 1.01 -0.53 -4.93 120.40 123.66 3kc0 s VAL 105 Ca 0.11 0.27 -0.20 0.00 0.00 0.00 0.00 61.98 62.16 3kc0 s VAL 105 Cb -0.16 -3.17 -0.08 0.00 0.00 0.00 0.00 36.38 32.97 3kc0 s VAL 105 CO 0.11 0.05 0.88 -0.62 0.00 0.00 0.00 175.10 175.52 3kc0 n GLU 106 N 1.85 0.96 -0.30 2.72 -0.58 -1.26 -4.76 120.64 119.27 3kc0 n GLU 106 Ca 0.06 0.36 0.10 0.00 -0.42 0.00 0.00 57.16 57.26 3kc0 n GLU 106 Cb 0.39 -2.02 0.27 0.00 -0.57 0.00 0.00 31.44 29.51 3kc0 n GLU 106 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 3kc0 h PRO 107 N 0.79 0.52 0.00 3.49 0.11 -1.99 -2.05 132.00 132.87 3kc0 h PRO 107 Ca -0.46 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3kc0 h PRO 107 Cb 1.36 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3kc0 h PRO 107 CO 0.52 0.34 0.00 0.39 -0.21 0.00 0.00 178.00 179.04 3kc0 n GLU 108 N -4.94 0.75 -0.06 1.05 1.02 -1.26 -3.00 120.64 114.21 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 0.54 -1.21 0.01 0.00 -0.02 0.00 0.00 31.44 30.75 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 -0.71 0.93 -2.42 3.49 5.02 -0.78 -5.06 118.16 118.62 3kc0 n LYS 109 Ca 0.08 -0.95 -0.40 0.00 -2.02 0.00 0.00 58.31 55.02 3kc0 n LYS 109 Cb 0.04 -0.70 -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 -0.44 4.53 0.39 1.97 0.52 -1.16 -3.90 118.95 120.85 3kc0 s ARG 110 Ca 0.02 1.84 0.02 0.00 -0.52 0.00 0.00 55.73 57.08 3kc0 s ARG 110 Cb 0.01 -3.09 -0.01 0.00 0.52 0.00 0.00 34.95 32.39 3kc0 s ARG 110 CO 0.00 0.10 0.07 0.41 0.02 0.00 0.00 175.30 175.90 3kc0 n GLY 111 N 1.04 3.49 0.39 -3.53 0.00 0.23 -4.69 105.19 102.13 3kc0 n GLY 111 Ca -0.00 -2.21 0.14 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 -0.93 1.45 -3.97 1.61 2.85 -1.19 -3.53 118.16 114.45 3kc0 n LYS 112 Ca -0.11 -0.79 -0.30 0.00 -1.05 0.00 0.00 58.31 56.06 3kc0 n LYS 112 Cb 0.54 -1.48 -0.05 0.00 -0.65 0.00 0.00 35.03 33.39 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 -2.09 3.40 -0.07 5.58 2.02 -0.42 -0.61 117.35 125.17 3kc0 s TYR 113 Ca 0.36 0.16 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 3kc0 s TYR 113 Cb 0.21 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 40.06 3kc0 s TYR 113 CO 0.37 0.55 -0.17 0.08 -1.57 0.00 0.00 175.55 174.82 3kc0 s VAL 114 N -1.54 2.79 -0.05 0.71 1.01 0.37 -1.35 120.40 122.34 3kc0 s VAL 114 Ca 0.33 -0.80 0.02 0.00 0.00 0.00 0.00 61.98 61.54 3kc0 s VAL 114 Cb -0.12 -2.10 0.01 0.00 0.00 0.00 0.00 36.38 34.17 3kc0 s VAL 114 CO 0.26 0.57 -0.12 -0.69 0.00 0.00 0.00 175.10 175.12 3kc0 s VAL 115 N -0.33 1.07 -0.09 2.92 1.01 -0.76 -0.52 120.40 123.69 3kc0 s VAL 115 Ca 0.03 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 61.56 3kc0 s VAL 115 Cb -0.13 -0.97 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 3kc0 s VAL 115 CO 0.02 0.33 -0.13 0.00 0.00 0.00 0.00 175.10 175.33 3kc0 s PHE 117 N -0.17 -0.52 -0.34 0.00 -0.71 -0.45 0.13 117.98 115.94 3kc0 s PHE 117 Ca -0.00 0.42 -0.02 0.00 -1.04 0.00 0.00 56.93 56.29 3kc0 s PHE 117 Cb -0.13 0.53 0.07 0.00 -1.21 0.00 0.00 43.02 42.28 3kc0 s PHE 117 CO 0.03 -0.75 0.07 0.34 -1.34 0.00 0.00 175.22 173.57 3kc0 s ASP 118 N -2.45 5.01 0.43 1.98 -1.08 0.47 -2.48 116.67 118.55 3kc0 s ASP 118 Ca 0.00 -1.55 0.12 0.00 -0.52 0.00 0.00 52.55 50.60 3kc0 s ASP 118 Cb -0.01 -1.75 0.99 0.00 -1.46 0.00 0.00 42.92 40.69 3kc0 s ASP 118 CO -0.09 -0.36 2.02 1.55 0.52 0.00 0.00 175.17 178.82 3kc0 h PRO 119 N 8.00 0.41 -1.88 4.34 0.13 -1.87 -0.56 132.00 140.57 3kc0 h PRO 119 Ca -0.18 -0.02 -0.36 0.00 -0.87 0.00 0.00 66.00 64.56 3kc0 h PRO 119 Cb 1.06 -0.09 -0.30 0.00 0.13 0.00 0.00 31.00 31.79 3kc0 h PRO 119 CO 0.58 0.27 -0.69 -1.17 -0.23 0.00 0.00 178.00 176.76 3kc0 s LEU 120 N -9.37 -0.06 0.17 1.56 2.96 -1.23 -4.24 118.68 108.47 3kc0 s LEU 120 Ca -0.08 -1.73 -0.30 0.00 -0.22 0.00 0.00 54.13 51.80 3kc0 s LEU 120 Cb 0.19 0.61 -0.07 0.00 0.50 0.00 0.00 46.19 47.41 3kc0 s LEU 120 CO 0.74 -0.23 1.13 -0.62 -1.32 0.00 0.00 176.35 176.04 3kc0 s ASP 121 N 1.24 7.21 0.00 3.68 -1.08 0.93 -2.97 116.67 125.68 3kc0 s ASP 121 Ca 0.20 2.11 0.00 0.00 -0.52 0.00 0.00 52.55 54.33 3kc0 s ASP 121 Cb -0.12 -2.60 0.00 0.00 -1.46 0.00 0.00 42.92 38.74 3kc0 s ASP 121 CO -0.04 -0.27 0.00 0.61 0.52 0.00 0.00 175.17 175.98 3kc0 n GLY 122 N 2.18 0.72 0.32 2.66 0.00 -1.26 -1.27 105.19 108.54 3kc0 n GLY 122 Ca 0.04 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.23 3kc0 n GLY 122 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 3kc0 h SER 123 N 0.00 0.00 0.09 1.61 0.87 -1.87 -1.05 113.55 113.20 3kc0 h SER 123 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3kc0 h SER 123 Cb 0.00 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 3kc0 h SER 123 CO 0.00 0.00 -0.01 -1.28 -0.53 0.00 0.00 176.83 175.01 3kc0 h SER 124 N 0.00 0.00 -0.01 6.23 0.87 -1.91 -1.99 113.55 116.74 3kc0 h SER 124 Ca 0.02 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.57 3kc0 h SER 124 Cb 0.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3kc0 h SER 124 CO -0.00 0.01 -0.51 0.59 -0.53 0.00 0.00 176.83 176.39 3kc0 n ASN 125 N -3.41 1.75 0.00 6.23 3.02 -0.40 -4.68 115.26 117.77 3kc0 n ASN 125 Ca -0.03 -3.88 0.11 0.00 -0.03 0.00 0.00 54.58 50.76 3kc0 n ASN 125 Cb 0.10 -0.52 0.53 0.00 -0.61 0.00 0.00 39.78 39.28 3kc0 n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3kc0 n ILE 126 N -1.09 0.36 0.14 2.41 0.00 -0.75 -3.24 119.36 117.20 3kc0 n ILE 126 Ca 0.19 0.09 0.01 0.00 0.00 0.00 0.00 62.75 63.04 3kc0 n ILE 126 Cb 0.70 -0.72 0.15 0.00 0.00 0.00 0.00 39.64 39.78 3kc0 n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3kc0 h ASP 127 N 0.00 0.00 -0.51 9.51 3.32 -1.83 -2.91 116.42 124.00 3kc0 h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kc0 h ASP 127 Cb 0.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.83 3kc0 h ASP 127 CO 0.00 0.57 0.00 0.00 -1.72 0.00 0.00 179.24 178.09 3kc0 n LEU 129 N 1.00 -1.28 -4.78 0.00 4.77 -1.10 -4.99 117.00 110.62 3kc0 n LEU 129 Ca 0.17 0.20 -0.32 0.00 -0.03 0.00 0.00 56.01 56.03 3kc0 n LEU 129 Cb 0.43 -2.12 0.06 0.00 -2.33 0.00 0.00 43.42 39.46 3kc0 n LEU 129 CO 0.12 -0.50 0.72 0.54 -1.33 0.00 0.00 177.39 176.94 3kc0 s VAL 130 N -2.60 3.40 0.56 4.08 0.11 -1.24 -4.95 120.40 119.76 3kc0 s VAL 130 Ca 0.00 0.55 -0.20 0.00 -2.93 0.00 0.00 61.98 59.40 3kc0 s VAL 130 Cb 0.00 -3.08 -0.06 0.00 -1.53 0.00 0.00 36.38 31.71 3kc0 s VAL 130 CO 0.00 -0.50 1.07 -1.20 -3.33 0.00 0.00 175.10 171.14 3kc0 n SER 131 N -2.87 1.31 -4.18 3.54 7.64 -1.26 -4.77 113.62 113.02 3kc0 n SER 131 Ca 0.09 0.88 -0.11 0.00 1.01 0.00 0.00 58.87 60.75 3kc0 n SER 131 Cb 0.53 -1.43 -0.10 0.00 -1.01 0.00 0.00 64.21 62.20 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 -1.42 0.19 0.40 0.44 -7.23 -1.20 -4.77 120.40 106.80 3kc0 s VAL 132 Ca 0.73 -1.94 -0.15 0.00 -1.81 0.00 0.00 61.98 58.80 3kc0 s VAL 132 Cb -0.44 -2.19 0.06 0.00 0.56 0.00 0.00 36.38 34.37 3kc0 s VAL 132 CO 0.49 -0.34 0.80 -0.83 -0.31 0.00 0.00 175.10 174.91 3kc0 s GLY 133 N -3.11 0.44 -0.14 2.32 0.00 -0.40 -0.23 107.32 106.20 3kc0 s GLY 133 Ca 0.28 -0.81 0.01 0.00 0.00 0.00 0.00 44.72 44.19 3kc0 s GLY 133 CO 0.05 -0.35 -0.15 -1.59 0.00 0.00 0.00 173.10 171.06 3kc0 s THR 134 N -2.12 1.61 -0.04 0.90 2.01 -0.24 0.31 115.64 118.07 3kc0 s THR 134 Ca 0.16 -0.67 -0.01 0.00 0.31 0.00 0.00 61.69 61.49 3kc0 s THR 134 Cb -0.05 -1.49 -0.04 0.00 0.01 0.00 0.00 72.50 70.93 3kc0 s THR 134 CO 0.12 0.47 0.02 -0.63 -0.69 0.00 0.00 174.62 173.91 3kc0 s ILE 135 N 1.33 4.38 -0.01 1.82 1.01 -0.22 -0.24 121.20 129.27 3kc0 s ILE 135 Ca 0.02 -0.39 -0.12 0.00 0.00 0.00 0.00 60.65 60.16 3kc0 s ILE 135 Cb -0.13 -2.92 0.02 0.00 0.01 0.00 0.00 42.46 39.43 3kc0 s ILE 135 CO -0.08 0.47 0.25 0.72 0.00 0.00 0.00 174.94 176.29 3kc0 s PHE 136 N -1.03 -0.11 -0.02 3.97 -0.71 -0.22 -0.39 117.98 119.46 3kc0 s PHE 136 Ca 0.18 0.16 0.00 0.00 -1.04 0.00 0.00 56.93 56.23 3kc0 s PHE 136 Cb -0.12 0.05 0.03 0.00 -1.21 0.00 0.00 43.02 41.77 3kc0 s PHE 136 CO 0.08 -0.34 0.02 0.20 -1.34 0.00 0.00 175.22 173.84 3kc0 s GLY 137 N -1.24 0.15 -0.15 1.99 0.00 0.12 -1.63 107.32 106.57 3kc0 s GLY 137 Ca -0.13 0.26 -0.00 0.00 0.00 0.00 0.00 44.72 44.85 3kc0 s GLY 137 CO 0.03 0.66 -0.14 -0.42 0.00 0.00 0.00 173.10 173.23 3kc0 s ILE 138 N 1.06 2.84 0.29 0.90 1.01 0.52 -0.83 121.20 127.00 3kc0 s ILE 138 Ca -0.09 -0.72 0.11 0.00 0.00 0.00 0.00 60.65 59.95 3kc0 s ILE 138 Cb -0.13 -2.20 -0.05 0.00 0.01 0.00 0.00 42.46 40.09 3kc0 s ILE 138 CO -0.03 0.52 -0.17 -0.31 0.00 0.00 0.00 174.94 174.95 3kc0 s TYR 139 N 0.64 2.33 -0.17 3.97 2.02 0.32 -0.38 117.35 126.07 3kc0 s TYR 139 Ca -0.08 -0.36 -0.09 0.00 -0.37 0.00 0.00 57.07 56.18 3kc0 s TYR 139 Cb -0.16 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3kc0 s TYR 139 CO 0.03 0.69 0.13 0.50 -1.57 0.00 0.00 175.55 175.33 3kc0 s ARG 140 N -3.54 3.90 0.08 -0.62 3.52 -1.26 -0.48 118.95 120.55 3kc0 s ARG 140 Ca 0.31 -0.19 -0.31 0.00 -0.13 0.00 0.00 55.73 55.41 3kc0 s ARG 140 Cb -0.04 -3.33 -0.10 0.00 -1.56 0.00 0.00 34.95 29.92 3kc0 s ARG 140 CO 0.16 0.48 1.89 1.17 -0.81 0.00 0.00 175.30 178.19 3kc0 n LYS 141 N 2.95 2.77 0.07 5.12 4.81 0.22 -4.85 118.16 129.26 3kc0 n LYS 141 Ca -0.17 1.01 0.04 0.00 -0.87 0.00 0.00 58.31 58.32 3kc0 n LYS 141 Cb 0.53 -2.93 -0.04 0.00 0.02 0.00 0.00 35.03 32.62 3kc0 n LYS 141 CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 3kc0 h LYS 142 N 9.36 0.00 -6.19 1.64 1.79 -1.89 -3.47 116.57 117.80 3kc0 h LYS 142 Ca -0.48 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.48 3kc0 h LYS 142 Cb 1.23 0.00 -0.05 0.00 -1.58 0.00 0.00 32.23 31.84 3kc0 h LYS 142 CO 0.94 0.20 -0.52 0.45 -1.08 0.00 0.00 179.45 179.44 3kc0 s SER 143 N -5.71 5.58 0.00 0.86 0.15 -1.26 -5.01 113.70 108.31 3kc0 s SER 143 Ca -0.01 -0.21 0.22 0.00 0.70 0.00 0.00 55.95 56.65 3kc0 s SER 143 Cb 0.09 -1.45 -0.13 0.00 -1.71 0.00 0.00 66.02 62.83 3kc0 s SER 143 CO 0.79 -0.02 0.99 0.35 1.20 0.00 0.00 173.24 176.55 3kc0 n THR 144 N -1.08 0.00 -1.26 6.45 -2.24 -1.26 -4.96 114.28 109.93 3kc0 n THR 144 Ca -0.08 -0.11 -0.36 0.00 -2.27 0.00 0.00 64.05 61.23 3kc0 n THR 144 Cb 0.57 1.10 0.07 0.00 -2.10 0.00 0.00 70.33 69.98 3kc0 n THR 144 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kc0 n ASP 145 N -0.86 -0.95 -4.53 3.42 8.00 -1.26 -4.76 116.55 115.60 3kc0 n ASP 145 Ca 0.06 0.60 -0.46 0.00 0.71 0.00 0.00 54.79 55.70 3kc0 n ASP 145 Cb 0.39 -1.25 -0.02 0.00 -0.02 0.00 0.00 41.12 40.22 3kc0 n ASP 145 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3kc0 n GLU 146 N -0.94 0.91 -1.70 -1.24 -0.58 -1.26 -4.77 120.64 111.07 3kc0 n GLU 146 Ca 0.10 0.32 -0.43 0.00 -0.42 0.00 0.00 57.16 56.73 3kc0 n GLU 146 Cb 0.50 -1.60 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 3kc0 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kc0 n PRO 147 N 0.92 2.26 -3.94 3.49 -0.04 -1.26 -4.98 135.00 131.44 3kc0 n PRO 147 Ca 0.13 0.80 -0.10 0.00 -0.04 0.00 0.00 63.50 64.29 3kc0 n PRO 147 Cb 0.29 -2.48 -0.02 0.00 -0.04 0.00 0.00 33.50 31.25 3kc0 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kc0 s SER 148 N 0.17 0.15 0.59 3.54 1.04 -1.26 -5.02 113.70 112.91 3kc0 s SER 148 Ca 0.63 -1.07 0.29 0.00 0.48 0.00 0.00 55.95 56.28 3kc0 s SER 148 Cb -0.58 0.70 1.65 0.00 0.10 0.00 0.00 66.02 67.89 3kc0 s SER 148 CO 0.53 -1.37 2.08 1.05 0.98 0.00 0.00 173.24 176.52 3kc0 h GLU 149 N 2.11 0.00 -0.14 4.02 4.11 -1.93 -1.20 114.58 121.55 3kc0 h GLU 149 Ca -0.27 0.00 0.04 0.00 0.07 0.00 0.00 59.36 59.20 3kc0 h GLU 149 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.49 3kc0 h GLU 149 CO 0.35 0.00 0.11 0.87 0.07 0.00 0.00 179.01 180.41 3kc0 h LYS 150 N 0.00 0.00 0.00 1.06 1.57 -1.96 -1.53 116.57 115.71 3kc0 h LYS 150 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3kc0 h LYS 150 Cb 0.55 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3kc0 h LYS 150 CO -0.00 0.00 0.00 -0.25 -0.57 0.00 0.00 179.45 178.63 3kc0 n ASP 151 N -4.35 0.00 -0.47 0.86 8.00 -0.45 -1.98 116.55 118.16 3kc0 n ASP 151 Ca 0.00 0.39 0.11 0.00 0.71 0.00 0.00 54.79 56.01 3kc0 n ASP 151 Cb 0.23 -0.45 0.01 0.00 -0.02 0.00 0.00 41.12 40.89 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 -1.45 3.58 -1.99 2.24 0.00 -0.58 -4.57 120.51 117.74 3kc0 n ALA 152 Ca 0.05 -0.63 -0.40 0.00 0.00 0.00 0.00 53.44 52.47 3kc0 n ALA 152 Cb 0.19 -0.81 -0.01 0.00 0.00 0.00 0.00 19.45 18.82 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 7.98 -4.53 0.00 4.77 -0.84 -4.93 117.00 119.35 3kc0 n LEU 153 Ca 0.09 -4.87 -0.30 0.00 -0.03 0.00 0.00 56.01 50.90 3kc0 n LEU 153 Cb 0.46 -1.35 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 3kc0 n LEU 153 CO 0.29 2.05 -0.45 -1.10 -1.33 0.00 0.00 177.39 176.84 3kc0 s GLN 154 N -1.26 2.01 0.34 3.23 -0.21 -1.26 -4.62 119.66 117.89 3kc0 s GLN 154 Ca 0.54 -1.07 -0.28 0.00 0.02 0.00 0.00 55.36 54.58 3kc0 s GLN 154 Cb 0.19 -2.23 -0.09 0.00 1.00 0.00 0.00 33.01 31.88 3kc0 s GLN 154 CO -0.10 0.50 1.20 -1.25 -2.12 0.00 0.00 175.29 173.52 3kc0 s PRO 155 N -2.06 4.33 0.58 2.91 0.04 -1.26 -4.61 135.00 134.92 3kc0 s PRO 155 Ca 0.19 1.97 0.33 0.00 0.04 0.00 0.00 61.00 63.53 3kc0 s PRO 155 Cb -0.11 -2.97 1.37 0.00 0.04 0.00 0.00 34.50 32.83 3kc0 s PRO 155 CO 0.11 -0.12 1.66 0.78 0.04 0.00 0.00 177.00 179.47 3kc0 h GLY 156 N 3.24 0.00 1.81 0.56 0.00 -1.64 0.29 103.07 107.34 3kc0 h GLY 156 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3kc0 h GLY 156 CO 0.65 0.00 0.08 0.07 0.00 0.00 0.00 176.54 177.34 3kc0 h ARG 157 N 0.00 0.00 -0.01 4.80 0.11 -1.12 -0.48 114.38 117.68 3kc0 h ARG 157 Ca 0.47 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.55 3kc0 h ARG 157 Cb 2.29 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.37 3kc0 h ARG 157 CO -0.00 0.00 -0.23 0.09 0.10 0.00 0.00 179.97 179.93 3kc0 n ASN 158 N -2.65 0.87 -4.64 0.08 4.13 0.10 -4.96 115.26 108.20 3kc0 n ASN 158 Ca -0.02 -0.78 -0.45 0.00 1.68 0.00 0.00 54.58 55.01 3kc0 n ASN 158 Cb 0.13 0.09 -0.03 0.00 -1.54 0.00 0.00 39.78 38.43 3kc0 n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kc0 n LEU 159 N -0.76 2.54 -0.04 3.41 4.77 -0.19 -4.66 117.00 122.07 3kc0 n LEU 159 Ca 0.12 1.16 -0.03 0.00 -0.03 0.00 0.00 56.01 57.23 3kc0 n LEU 159 Cb 0.33 -1.36 -0.14 0.00 -2.33 0.00 0.00 43.42 39.92 3kc0 n LEU 159 CO 0.26 -0.85 -0.78 0.52 -1.33 0.00 0.00 177.39 175.20 3kc0 n VAL 160 N 1.31 1.07 -3.52 4.08 0.31 0.48 -4.95 118.33 117.11 3kc0 n VAL 160 Ca 0.11 -0.73 -0.11 0.00 -0.01 0.00 0.00 64.34 63.59 3kc0 n VAL 160 Cb 0.30 -0.49 -0.04 0.00 -0.91 0.00 0.00 33.84 32.70 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 -2.83 -1.83 -0.07 3.52 0.00 -1.17 -4.29 121.76 115.09 3kc0 s ALA 161 Ca -0.07 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.81 3kc0 s ALA 161 Cb 0.09 -0.02 0.11 0.00 0.00 0.00 0.00 23.12 23.30 3kc0 s ALA 161 CO 0.84 -0.50 0.99 0.00 0.00 0.00 0.00 175.76 177.09 3kc0 s ALA 162 N -2.09 -1.90 0.00 0.00 0.00 -0.36 -0.35 121.76 117.04 3kc0 s ALA 162 Ca -0.01 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.17 3kc0 s ALA 162 Cb -0.01 0.21 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3kc0 s ALA 162 CO -0.02 -0.64 0.00 0.41 0.00 0.00 0.00 175.76 175.51 3kc0 n GLY 163 N -0.16 -1.01 3.47 0.00 0.00 -0.64 -0.14 105.19 106.71 3kc0 n GLY 163 Ca -0.06 -1.01 -0.09 0.00 0.00 0.00 0.00 46.02 44.86 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 0.27 -0.15 1.61 1.13 -0.65 -1.06 117.35 115.51 3kc0 s TYR 164 Ca 0.00 -0.63 0.02 0.00 -1.41 0.00 0.00 57.07 55.05 3kc0 s TYR 164 Cb 0.00 0.13 0.01 0.00 -1.10 0.00 0.00 41.96 41.00 3kc0 s TYR 164 CO 0.00 -0.86 -0.21 0.00 -2.51 0.00 0.00 175.55 171.97 3kc0 s ALA 165 N -3.97 2.30 -0.25 9.51 0.00 0.67 -0.34 121.76 129.68 3kc0 s ALA 165 Ca 0.17 -1.11 -0.09 0.00 0.00 0.00 0.00 51.96 50.93 3kc0 s ALA 165 Cb 0.01 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.02 3kc0 s ALA 165 CO 0.03 -0.09 0.13 -1.17 0.00 0.00 0.00 175.76 174.65 3kc0 s LEU 166 N 0.91 3.82 -1.06 0.00 2.96 0.28 -1.08 118.68 124.51 3kc0 s LEU 166 Ca -0.04 -0.04 -0.05 0.00 -0.22 0.00 0.00 54.13 53.77 3kc0 s LEU 166 Cb -0.15 -2.03 0.29 0.00 0.50 0.00 0.00 46.19 44.79 3kc0 s LEU 166 CO -0.04 0.00 1.26 -1.22 -1.32 0.00 0.00 176.35 175.03 3kc0 n TYR 167 N 4.69 3.64 0.00 5.38 4.01 0.68 -1.14 117.16 134.42 3kc0 n TYR 167 Ca -0.15 -3.29 0.00 0.00 -0.16 0.00 0.00 57.90 54.30 3kc0 n TYR 167 Cb 0.52 -1.39 0.00 0.00 -0.31 0.00 0.00 39.34 38.16 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 1.89 2.23 0.36 2.72 0.00 -1.26 -3.26 105.19 107.87 3kc0 n GLY 168 Ca 0.25 -1.02 0.09 0.00 0.00 0.00 0.00 46.02 45.33 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 0.60 -4.70 1.61 4.64 -1.99 -3.42 113.55 110.29 3kc0 h SER 169 Ca 0.00 0.01 -0.22 0.00 -0.47 0.00 0.00 61.79 61.11 3kc0 h SER 169 Cb 0.00 -0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 61.83 3kc0 h SER 169 CO 0.00 0.37 -0.68 0.00 -0.87 0.00 0.00 176.83 175.64 3kc0 s ALA 170 N -5.62 1.01 -0.22 5.18 0.00 -1.26 -5.14 121.76 115.72 3kc0 s ALA 170 Ca -0.09 -1.40 -0.13 0.00 0.00 0.00 0.00 51.96 50.33 3kc0 s ALA 170 Cb 0.20 0.30 -0.04 0.00 0.00 0.00 0.00 23.12 23.58 3kc0 s ALA 170 CO 0.77 -0.28 0.29 0.99 0.00 0.00 0.00 175.76 177.53 3kc0 s THR 171 N -3.69 5.27 0.02 0.00 2.01 -1.26 -4.51 115.64 113.49 3kc0 s THR 171 Ca 0.15 0.47 0.04 0.00 0.31 0.00 0.00 61.69 62.66 3kc0 s THR 171 Cb 0.06 -3.63 -0.02 0.00 0.01 0.00 0.00 72.50 68.92 3kc0 s THR 171 CO -0.03 0.29 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.75 3kc0 s MET 172 N 1.19 0.91 -0.24 4.92 -2.45 -0.29 -0.73 119.30 122.60 3kc0 s MET 172 Ca 0.14 -0.64 -0.01 0.00 -1.25 0.00 0.00 55.69 53.93 3kc0 s MET 172 Cb -0.14 -0.89 0.03 0.00 1.25 0.00 0.00 34.83 35.08 3kc0 s MET 172 CO 0.06 0.23 -0.08 -1.17 1.05 0.00 0.00 175.02 175.11 3kc0 s LEU 173 N -0.87 3.12 -0.27 4.11 1.98 -0.16 0.10 118.68 126.69 3kc0 s LEU 173 Ca 0.02 -0.89 -0.12 0.00 -2.89 0.00 0.00 54.13 50.25 3kc0 s LEU 173 Cb -0.07 -1.64 -0.05 0.00 0.66 0.00 0.00 46.19 45.10 3kc0 s LEU 173 CO 0.01 -0.12 0.26 -0.69 -1.89 0.00 0.00 176.35 173.91 3kc0 s VAL 174 N 1.31 5.26 -0.18 1.68 1.01 0.54 -1.52 120.40 128.49 3kc0 s VAL 174 Ca -0.00 0.32 -0.01 0.00 0.00 0.00 0.00 61.98 62.29 3kc0 s VAL 174 Cb -0.17 -3.59 0.00 0.00 0.00 0.00 0.00 36.38 32.62 3kc0 s VAL 174 CO -0.05 0.22 -0.12 -0.22 0.00 0.00 0.00 175.10 174.93 3kc0 s LEU 175 N 1.82 2.55 -0.11 3.92 2.96 -0.39 -1.63 118.68 127.80 3kc0 s LEU 175 Ca 0.10 -0.48 0.02 0.00 -0.22 0.00 0.00 54.13 53.55 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 0.10 0.03 -0.18 0.00 -1.32 0.00 0.00 176.35 174.98 3kc0 s ALA 176 N 1.17 2.43 0.36 5.97 0.00 0.80 -1.16 121.76 131.34 3kc0 s ALA 176 Ca 0.01 -0.94 0.07 0.00 0.00 0.00 0.00 51.96 51.10 3kc0 s ALA 176 Cb -0.14 -1.01 -0.02 0.00 0.00 0.00 0.00 23.12 21.94 3kc0 s ALA 176 CO -0.05 0.30 0.24 -1.33 0.00 0.00 0.00 175.76 174.92 3kc0 n MET 177 N 3.38 0.46 -0.24 0.00 2.81 -0.33 -1.23 117.12 121.98 3kc0 n MET 177 Ca -0.18 -3.38 0.21 0.00 -1.81 0.00 0.00 57.70 52.53 3kc0 n MET 177 Cb 0.53 2.45 0.54 0.00 -0.71 0.00 0.00 33.22 36.03 3kc0 n MET 177 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 3kc0 h ASP 178 N 1.91 0.35 0.18 7.83 3.58 -1.93 -0.07 116.42 128.27 3kc0 h ASP 178 Ca -0.26 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.23 3kc0 h ASP 178 Cb 1.21 -0.02 0.00 0.00 1.72 0.00 0.00 39.33 42.23 3kc0 h ASP 178 CO 0.40 0.13 -0.01 0.00 -2.88 0.00 0.00 179.24 176.88 3kc0 n GLY 180 N 1.10 0.58 3.38 0.00 0.00 -0.04 -4.96 105.19 105.25 3kc0 n GLY 180 Ca 0.21 -2.13 -0.33 0.00 0.00 0.00 0.00 46.02 43.77 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 -0.94 2.93 -0.00 1.61 1.01 -1.26 -1.19 120.40 122.55 3kc0 s VAL 181 Ca 0.00 -0.72 0.04 0.00 0.00 0.00 0.00 61.98 61.29 3kc0 s VAL 181 Cb 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 36.38 34.17 3kc0 s VAL 181 CO 0.00 0.54 -0.12 0.20 0.00 0.00 0.00 175.10 175.73 3kc0 s ASN 182 N 0.09 1.36 -0.11 3.32 -0.87 -0.31 -0.47 114.94 117.95 3kc0 s ASN 182 Ca -0.06 -0.23 -0.01 0.00 -1.57 0.00 0.00 52.86 50.99 3kc0 s ASN 182 Cb -0.15 -0.14 -0.02 0.00 -0.02 0.00 0.00 41.25 40.91 3kc0 s ASN 182 CO 0.05 0.13 -0.08 0.00 -2.57 0.00 0.00 177.10 174.62 3kc0 s PHE 184 N -0.11 2.14 -0.13 0.00 0.40 -0.58 -0.97 117.98 118.73 3kc0 s PHE 184 Ca 0.00 -0.75 -0.12 0.00 -0.60 0.00 0.00 56.93 55.47 3kc0 s PHE 184 Cb -0.13 -1.44 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 3kc0 s PHE 184 CO 0.03 -0.28 0.25 1.41 0.70 0.00 0.00 175.22 177.33 3kc0 s MET 185 N 0.19 3.98 -0.30 0.44 1.75 0.60 -0.99 119.30 124.98 3kc0 s MET 185 Ca -0.11 0.05 -0.26 0.00 -1.25 0.00 0.00 55.69 54.13 3kc0 s MET 185 Cb -0.15 -3.33 0.01 0.00 2.84 0.00 0.00 34.83 34.20 3kc0 s MET 185 CO 0.05 0.46 0.90 -1.17 -0.65 0.00 0.00 175.02 174.62 3kc0 s LEU 186 N -0.20 4.04 -0.63 4.11 2.96 0.10 0.32 118.68 129.39 3kc0 s LEU 186 Ca 0.16 0.86 -0.22 0.00 -0.22 0.00 0.00 54.13 54.72 3kc0 s LEU 186 Cb -0.13 -3.27 0.07 0.00 0.50 0.00 0.00 46.19 43.36 3kc0 s LEU 186 CO 0.05 -0.70 0.90 -0.62 -1.32 0.00 0.00 176.35 174.65 3kc0 s ASP 187 N 1.58 6.19 0.49 3.68 -1.08 -0.08 -4.66 116.67 122.80 3kc0 s ASP 187 Ca 0.38 -1.00 0.22 0.00 -0.52 0.00 0.00 52.55 51.63 3kc0 s ASP 187 Cb -0.14 -2.39 1.26 0.00 -1.46 0.00 0.00 42.92 40.19 3kc0 s ASP 187 CO 0.13 -1.33 1.96 -0.65 0.52 0.00 0.00 175.17 175.80 3kc0 h PRO 188 N 9.44 0.16 -0.75 4.34 0.11 -1.94 0.17 132.00 143.53 3kc0 h PRO 188 Ca -0.29 -0.01 0.06 0.00 0.11 0.00 0.00 66.00 65.87 3kc0 h PRO 188 Cb 1.07 -0.04 -0.05 0.00 0.11 0.00 0.00 31.00 32.10 3kc0 h PRO 188 CO 1.15 0.11 0.49 0.00 -0.21 0.00 0.00 178.00 179.53 3kc0 h ALA 189 N 1.69 1.66 0.00 -0.75 0.00 -1.97 -3.23 119.26 116.67 3kc0 h ALA 189 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 3kc0 h ALA 189 Cb 0.96 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.54 3kc0 h ALA 189 CO -0.05 0.23 0.00 0.44 0.00 0.00 0.00 179.25 179.88 3kc0 n ILE 190 N -4.48 0.48 -3.73 0.00 -5.35 -0.86 -5.02 119.36 100.40 3kc0 n ILE 190 Ca 0.11 -0.55 -0.22 0.00 -0.27 0.00 0.00 62.75 61.81 3kc0 n ILE 190 Cb 0.20 0.84 0.02 0.00 -1.74 0.00 0.00 39.64 38.97 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 -0.24 -0.29 3.01 3.28 0.00 0.53 -4.99 105.19 106.49 3kc0 n GLY 191 Ca 0.00 0.13 -0.20 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 -6.05 0.94 -0.43 1.61 2.56 -1.17 -4.96 118.70 111.19 3kc0 s GLU 192 Ca 0.00 -0.31 -0.23 0.00 0.00 0.00 0.00 54.97 54.43 3kc0 s GLU 192 Cb -0.00 -0.88 0.02 0.00 2.00 0.00 0.00 34.13 35.27 3kc0 s GLU 192 CO 0.82 0.13 0.80 -0.06 -0.56 0.00 0.00 175.26 176.39 3kc0 s PHE 193 N 0.13 3.01 -0.20 5.30 0.08 -1.26 -0.90 117.98 124.13 3kc0 s PHE 193 Ca -0.02 0.27 -0.16 0.00 0.12 0.00 0.00 56.93 57.14 3kc0 s PHE 193 Cb -0.08 -3.63 -0.04 0.00 -0.57 0.00 0.00 43.02 38.70 3kc0 s PHE 193 CO 0.00 -0.94 0.41 0.42 -0.10 0.00 0.00 175.22 175.02 3kc0 s ILE 194 N 3.29 5.19 -0.09 0.64 -1.09 0.15 -1.05 121.20 128.23 3kc0 s ILE 194 Ca 0.31 0.74 -0.29 0.00 -2.23 0.00 0.00 60.65 59.17 3kc0 s ILE 194 Cb -0.12 -3.74 -0.05 0.00 -1.58 0.00 0.00 42.46 36.96 3kc0 s ILE 194 CO 0.22 0.24 1.76 -0.22 -1.23 0.00 0.00 174.94 175.71 3kc0 s LEU 195 N 1.34 4.16 0.00 2.97 2.96 0.26 -0.29 118.68 130.09 3kc0 s LEU 195 Ca 0.20 2.14 0.00 0.00 -0.22 0.00 0.00 54.13 56.25 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 -1.12 0.46 1.33 -1.32 0.00 0.00 176.35 175.78 3kc0 n VAL 196 N 5.92 0.09 -3.26 1.68 0.24 -0.15 -4.74 118.33 118.11 3kc0 n VAL 196 Ca 0.19 -0.45 -0.04 0.00 -2.04 0.00 0.00 64.34 62.00 3kc0 n VAL 196 Cb 0.43 1.12 -0.05 0.00 -1.47 0.00 0.00 33.84 33.88 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 -0.09 -0.37 0.12 -1.34 1.01 -1.11 -4.98 116.67 109.91 3kc0 s ASP 197 Ca 0.00 0.21 -0.15 0.00 0.71 0.00 0.00 52.55 53.32 3kc0 s ASP 197 Cb 0.00 1.49 -0.07 0.00 1.01 0.00 0.00 42.92 45.35 3kc0 s ASP 197 CO 0.00 -0.31 0.54 -0.54 0.21 0.00 0.00 175.17 175.07 3kc0 s LYS 198 N 2.66 4.01 -0.90 8.23 1.02 -1.26 -0.94 119.74 132.55 3kc0 s LYS 198 Ca 0.13 0.52 -0.26 0.00 0.02 0.00 0.00 55.97 56.39 3kc0 s LYS 198 Cb -0.14 -3.02 0.04 0.00 -0.52 0.00 0.00 37.83 34.19 3kc0 s LYS 198 CO -0.22 0.53 0.50 -3.47 -0.92 0.00 0.00 175.35 171.76 3kc0 n ASP 199 N 1.08 -2.97 -4.76 2.83 2.03 -0.95 -4.85 116.55 108.96 3kc0 n ASP 199 Ca -0.07 -0.97 -0.39 0.00 0.52 0.00 0.00 54.79 53.87 3kc0 n ASP 199 Cb 0.52 -1.17 0.02 0.00 -0.72 0.00 0.00 41.12 39.77 3kc0 n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kc0 s VAL 200 N -3.92 2.10 -0.04 5.18 1.01 0.38 -4.84 120.40 120.27 3kc0 s VAL 200 Ca 0.36 0.09 0.00 0.00 0.00 0.00 0.00 61.98 62.44 3kc0 s VAL 200 Cb -0.20 -3.05 0.03 0.00 0.00 0.00 0.00 36.38 33.15 3kc0 s VAL 200 CO 0.72 0.01 -0.01 -0.54 0.00 0.00 0.00 175.10 175.28 3kc0 s LYS 201 N -2.54 0.47 0.58 2.72 -0.14 -1.26 -4.45 119.74 115.11 3kc0 s LYS 201 Ca 0.63 0.04 -0.18 0.00 -1.36 0.00 0.00 55.97 55.10 3kc0 s LYS 201 Cb -0.43 -0.63 -0.04 0.00 -1.68 0.00 0.00 37.83 35.05 3kc0 s LYS 201 CO 0.54 -0.14 1.11 -1.50 -0.76 0.00 0.00 175.35 174.60 3kc0 s ILE 202 N 1.12 3.29 0.49 2.17 2.07 0.40 -4.98 121.20 125.76 3kc0 s ILE 202 Ca -0.08 0.72 -0.23 0.00 -1.41 0.00 0.00 60.65 59.64 3kc0 s ILE 202 Cb -0.14 -3.25 -0.06 0.00 0.13 0.00 0.00 42.46 39.14 3kc0 s ILE 202 CO -0.02 -0.25 1.34 -0.75 -1.91 0.00 0.00 174.94 173.35 3kc0 s LYS 203 N -3.59 3.45 0.38 3.50 2.20 -1.26 -4.89 119.74 119.53 3kc0 s LYS 203 Ca 0.70 2.19 0.05 0.00 -0.36 0.00 0.00 55.97 58.55 3kc0 s LYS 203 Cb -0.22 -2.43 0.77 0.00 -1.51 0.00 0.00 37.83 34.44 3kc0 s LYS 203 CO 0.32 -0.93 2.03 -0.22 -0.36 0.00 0.00 175.35 176.19 3kc0 h LYS 204 N 1.89 0.67 -2.92 4.03 3.64 -1.94 -3.39 116.57 118.55 3kc0 h LYS 204 Ca -0.50 -0.04 -0.13 0.00 -1.27 0.00 0.00 60.65 58.70 3kc0 h LYS 204 Cb 1.28 -0.15 -0.24 0.00 -0.41 0.00 0.00 32.23 32.71 3kc0 h LYS 204 CO 0.59 0.44 -0.30 0.21 -2.27 0.00 0.00 179.45 178.13 3kc0 s LYS 205 N -5.60 0.47 0.00 1.90 2.20 -1.26 -1.72 119.74 115.73 3kc0 s LYS 205 Ca -0.09 0.33 0.00 0.00 -0.36 0.00 0.00 55.97 55.85 3kc0 s LYS 205 Cb 0.18 0.22 0.00 0.00 -1.51 0.00 0.00 37.83 36.72 3kc0 s LYS 205 CO 0.75 -0.08 0.00 0.41 -0.36 0.00 0.00 175.35 176.07 3kc0 n GLY 206 N 2.51 3.69 0.22 5.54 0.00 -1.26 -4.70 105.19 111.19 3kc0 n GLY 206 Ca -0.15 -2.18 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 -0.25 0.68 -4.61 1.61 5.02 -1.26 -4.75 118.16 114.59 3kc0 n LYS 207 Ca 0.00 -1.28 -0.23 0.00 -2.02 0.00 0.00 58.31 54.78 3kc0 n LYS 207 Cb 0.00 -0.78 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 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 -0.75 1.09 -0.03 -0.18 1.01 -1.26 0.33 121.20 121.41 3kc0 s ILE 208 Ca 0.07 -0.54 0.07 0.00 0.00 0.00 0.00 60.65 60.25 3kc0 s ILE 208 Cb 0.06 -0.94 -0.02 0.00 0.01 0.00 0.00 42.46 41.57 3kc0 s ILE 208 CO 0.01 0.32 -0.25 -0.72 0.00 0.00 0.00 174.94 174.29 3kc0 s TYR 209 N 0.02 2.37 -0.11 3.97 -0.85 -0.27 -1.48 117.35 121.00 3kc0 s TYR 209 Ca -0.01 -0.49 -0.01 0.00 -0.52 0.00 0.00 57.07 56.04 3kc0 s TYR 209 Cb -0.09 -1.52 0.03 0.00 0.38 0.00 0.00 41.96 40.75 3kc0 s TYR 209 CO 0.01 -0.07 -0.05 0.45 -1.52 0.00 0.00 175.55 174.37 3kc0 s SER 210 N -0.52 2.10 -0.18 -0.18 0.15 -0.16 -2.48 113.70 112.43 3kc0 s SER 210 Ca 0.07 -0.29 -0.31 0.00 0.70 0.00 0.00 55.95 56.12 3kc0 s SER 210 Cb -0.11 -0.72 0.14 0.00 -1.71 0.00 0.00 66.02 63.62 3kc0 s SER 210 CO -0.00 -0.15 1.13 -1.48 1.20 0.00 0.00 173.24 173.94 3kc0 s LEU 211 N 1.78 -0.22 -0.68 3.45 2.34 -1.25 -0.98 118.68 123.12 3kc0 s LEU 211 Ca 0.04 0.15 -0.27 0.00 0.06 0.00 0.00 54.13 54.11 3kc0 s LEU 211 Cb -0.13 1.56 0.02 0.00 -0.56 0.00 0.00 46.19 47.07 3kc0 s LEU 211 CO -0.07 -0.27 1.42 0.21 -1.06 0.00 0.00 176.35 176.58 3kc0 s ASN 212 N -1.57 5.98 0.00 1.48 3.04 -1.26 -4.83 114.94 117.77 3kc0 s ASN 212 Ca 0.05 -0.15 0.21 0.00 0.04 0.00 0.00 52.86 53.01 3kc0 s ASN 212 Cb -0.01 -2.55 1.23 0.00 -1.54 0.00 0.00 41.25 38.38 3kc0 s ASN 212 CO -0.04 -1.92 1.62 -0.62 -3.04 0.00 0.00 177.10 173.10 3kc0 n GLU 213 N 9.19 0.63 0.25 0.43 1.02 -1.26 -2.77 120.64 128.13 3kc0 n GLU 213 Ca 0.08 0.01 0.11 0.00 -0.02 0.00 0.00 57.16 57.34 3kc0 n GLU 213 Cb 0.50 -1.50 0.63 0.00 -0.02 0.00 0.00 31.44 31.04 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 3.24 0.00 -0.33 0.62 0.00 -2.06 -1.14 103.07 103.40 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 -3.69 0.15 -0.31 5.60 0.53 -1.11 -4.34 117.16 113.98 3kc0 n TYR 215 Ca -0.02 -0.07 0.15 0.00 -1.02 0.00 0.00 57.90 56.94 3kc0 n TYR 215 Cb 0.29 0.00 0.33 0.00 -1.03 0.00 0.00 39.34 38.93 3kc0 n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kc0 h ALA 216 N 3.38 1.49 -0.02 -0.72 0.00 -1.43 0.22 119.26 122.17 3kc0 h ALA 216 Ca 0.00 0.18 0.01 0.00 0.00 0.00 0.00 54.91 55.10 3kc0 h ALA 216 Cb 0.17 0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3kc0 h ALA 216 CO 0.00 -0.40 0.02 -0.22 0.00 0.00 0.00 179.25 178.65 3kc0 h LYS 217 N 0.35 0.00 -0.28 0.00 3.64 -1.84 -2.39 116.57 116.06 3kc0 h LYS 217 Ca 0.59 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.97 3kc0 h LYS 217 Cb 1.17 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3kc0 h LYS 217 CO -0.57 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.36 3kc0 n ASP 218 N -4.10 2.86 -4.66 4.20 8.00 0.72 -5.03 116.55 118.53 3kc0 n ASP 218 Ca -0.02 -1.84 -0.37 0.00 0.71 0.00 0.00 54.79 53.26 3kc0 n ASP 218 Cb 0.11 -0.18 0.06 0.00 -0.02 0.00 0.00 41.12 41.10 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 0.93 1.25 -2.60 1.24 3.72 -0.85 -4.56 117.46 116.58 3kc0 n PHE 219 Ca 0.13 0.43 -0.40 0.00 -0.05 0.00 0.00 57.45 57.55 3kc0 n PHE 219 Cb 0.45 -2.19 -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 -1.31 7.41 0.38 4.37 -1.08 -1.26 -4.84 116.67 120.34 3kc0 s ASP 220 Ca 0.79 2.06 0.21 0.00 -0.52 0.00 0.00 52.55 55.09 3kc0 s ASP 220 Cb -0.40 -2.61 1.24 0.00 -1.46 0.00 0.00 42.92 39.69 3kc0 s ASP 220 CO 0.44 -0.07 1.65 -0.65 0.52 0.00 0.00 175.17 177.06 3kc0 h PRO 221 N 4.51 0.20 -0.26 4.34 0.11 -1.96 0.14 132.00 139.08 3kc0 h PRO 221 Ca -0.45 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 3kc0 h PRO 221 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kc0 h PRO 221 CO 0.69 0.13 0.12 0.00 -0.21 0.00 0.00 178.00 178.74 3kc0 h ALA 222 N 1.78 0.33 -0.32 -0.75 0.00 -1.91 -0.53 119.26 117.86 3kc0 h ALA 222 Ca 0.77 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 55.58 3kc0 h ALA 222 Cb 2.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.70 3kc0 h ALA 222 CO -0.55 -0.11 0.19 0.28 0.00 0.00 0.00 179.25 179.07 3kc0 h VAL 223 N 0.28 1.12 -0.45 0.00 2.07 -1.15 -0.87 116.25 117.25 3kc0 h VAL 223 Ca 0.09 -0.27 0.06 0.00 0.82 0.00 0.00 66.70 67.40 3kc0 h VAL 223 Cb 0.12 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.55 3kc0 h VAL 223 CO -0.01 0.11 0.14 0.74 0.02 0.00 0.00 177.57 178.57 3kc0 h THR 224 N 0.41 0.82 -0.51 2.57 2.02 -1.00 -0.84 112.91 116.39 3kc0 h THR 224 Ca 0.12 -0.10 -0.11 0.00 0.77 0.00 0.00 66.41 67.08 3kc0 h THR 224 Cb 0.02 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 3kc0 h THR 224 CO -0.02 0.05 -0.13 -0.08 0.37 0.00 0.00 175.52 175.71 3kc0 h GLU 225 N 0.29 0.98 -0.04 6.66 4.81 -0.85 -1.91 114.58 124.53 3kc0 h GLU 225 Ca 0.21 -0.38 -0.00 0.00 -0.13 0.00 0.00 59.36 59.07 3kc0 h GLU 225 Cb 0.23 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.56 3kc0 h GLU 225 CO -0.24 1.05 0.02 -0.92 -0.73 0.00 0.00 179.01 178.19 3kc0 h TYR 226 N 0.84 0.05 -0.98 0.92 3.20 -0.74 -0.55 116.97 119.72 3kc0 h TYR 226 Ca 0.13 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 62.05 3kc0 h TYR 226 Cb 0.69 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.89 3kc0 h TYR 226 CO 0.05 0.10 0.63 0.82 -1.64 0.00 0.00 178.16 178.12 3kc0 h ILE 227 N -0.01 1.11 -0.56 1.81 1.08 -1.14 -0.59 117.51 119.22 3kc0 h ILE 227 Ca 0.01 -0.40 -0.02 0.00 -0.39 0.00 0.00 64.86 64.06 3kc0 h ILE 227 Cb 0.06 -0.16 -0.03 0.00 -3.07 0.00 0.00 36.82 33.63 3kc0 h ILE 227 CO -0.00 0.21 0.26 -0.61 -0.69 0.00 0.00 178.15 177.32 3kc0 h GLN 228 N 1.17 0.79 0.00 2.37 5.75 -0.77 -0.60 115.11 123.82 3kc0 h GLN 228 Ca 0.41 -0.10 0.00 0.00 -0.15 0.00 0.00 58.65 58.81 3kc0 h GLN 228 Cb 0.12 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.52 3kc0 h GLN 228 CO -0.15 0.62 0.00 0.00 -2.65 0.00 0.00 178.83 176.65 3kc0 h ARG 229 N 0.79 0.00 0.03 1.69 3.08 0.46 0.62 114.38 121.05 3kc0 h ARG 229 Ca 0.20 0.00 -0.26 0.00 0.07 0.00 0.00 59.98 59.99 3kc0 h ARG 229 Cb 0.09 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.11 3kc0 h ARG 229 CO -0.03 0.00 -1.36 0.87 -1.07 0.00 0.00 179.97 178.39 3kc0 h LYS 230 N 0.00 0.06 0.00 0.04 1.79 -0.48 -2.99 116.57 114.98 3kc0 h LYS 230 Ca 0.00 -0.10 -0.24 0.00 -2.18 0.00 0.00 60.65 58.13 3kc0 h LYS 230 Cb 0.57 0.04 -0.04 0.00 -1.58 0.00 0.00 32.23 31.21 3kc0 h LYS 230 CO 0.00 0.86 -1.56 0.87 -1.08 0.00 0.00 179.45 178.54 3kc0 h LYS 231 N 0.02 0.00 -2.19 3.15 1.57 -1.12 -0.06 116.57 117.93 3kc0 h LYS 231 Ca -0.15 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.05 3kc0 h LYS 231 Cb 1.91 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 33.82 3kc0 h LYS 231 CO 0.12 0.43 -0.93 1.19 -0.57 0.00 0.00 179.45 179.69 3kc0 n PHE 232 N -3.00 0.71 -1.66 -1.35 3.01 0.19 -4.75 117.46 110.62 3kc0 n PHE 232 Ca -0.13 -3.71 -0.52 0.00 1.01 0.00 0.00 57.45 54.10 3kc0 n PHE 232 Cb 0.96 -0.31 -0.06 0.00 -0.01 0.00 0.00 39.48 40.07 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 1.58 1.48 0.26 -1.08 -0.02 -1.13 -4.56 135.00 131.54 3kc0 n PRO 233 Ca 0.25 0.54 0.13 0.00 -2.02 0.00 0.00 63.50 62.39 3kc0 n PRO 233 Cb 0.48 -2.25 0.69 0.00 -0.02 0.00 0.00 33.50 32.40 3kc0 n PRO 233 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 3kc0 h PRO 234 N 6.41 0.00 -0.74 0.52 0.13 -1.92 -1.25 132.00 135.14 3kc0 h PRO 234 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 3kc0 h PRO 234 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3kc0 h PRO 234 CO 0.88 0.13 0.00 -0.40 -0.23 0.00 0.00 178.00 178.39 3kc0 n ASP 235 N -3.55 3.80 -2.61 1.44 5.75 -1.26 -4.89 116.55 115.22 3kc0 n ASP 235 Ca -0.01 -2.54 -0.11 0.00 -0.01 0.00 0.00 54.79 52.11 3kc0 n ASP 235 Cb 0.27 -0.60 -0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3kc0 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kc0 n ASN 236 N 0.39 -3.13 -3.20 -1.12 5.03 -0.47 -4.96 115.26 107.79 3kc0 n ASN 236 Ca 0.17 0.17 -0.19 0.00 0.87 0.00 0.00 54.58 55.60 3kc0 n ASN 236 Cb 0.81 -2.69 0.14 0.00 -1.02 0.00 0.00 39.78 37.01 3kc0 n ASN 236 CO 0.00 0.00 0.00 -1.54 -1.83 0.00 0.00 177.26 173.89 3kc0 n SER 237 N -1.80 -0.32 -4.72 6.41 3.41 -1.26 -4.99 113.62 110.35 3kc0 n SER 237 Ca -0.09 -1.22 -0.42 0.00 -0.26 0.00 0.00 58.87 56.88 3kc0 n SER 237 Cb 0.57 -0.65 -0.03 0.00 -0.26 0.00 0.00 64.21 63.84 3kc0 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc0 s ALA 238 N -3.77 3.21 0.55 7.33 0.00 -1.26 -4.60 121.76 123.21 3kc0 s ALA 238 Ca 0.47 0.58 -0.22 0.00 0.00 0.00 0.00 51.96 52.80 3kc0 s ALA 238 Cb -0.02 -3.33 -0.05 0.00 0.00 0.00 0.00 23.12 19.72 3kc0 s ALA 238 CO 0.34 -0.18 1.33 -1.25 0.00 0.00 0.00 175.76 176.00 3kc0 s PRO 239 N 0.65 3.16 0.60 0.00 0.04 -1.26 -4.92 135.00 133.26 3kc0 s PRO 239 Ca 0.51 2.17 -0.18 0.00 0.04 0.00 0.00 61.00 63.54 3kc0 s PRO 239 Cb -0.23 -2.24 -0.03 0.00 0.04 0.00 0.00 34.50 32.05 3kc0 s PRO 239 CO 0.29 -1.16 1.14 0.71 0.04 0.00 0.00 177.00 178.02 3kc0 s TYR 240 N -1.34 2.59 0.40 0.56 1.51 -0.04 -5.01 117.35 116.02 3kc0 s TYR 240 Ca 0.72 1.55 -0.09 0.00 -1.01 0.00 0.00 57.07 58.23 3kc0 s TYR 240 Cb -0.39 -3.28 -0.06 0.00 -0.11 0.00 0.00 41.96 38.12 3kc0 s TYR 240 CO 0.46 -1.74 0.75 0.20 -1.11 0.00 0.00 175.55 174.10 3kc0 s GLY 241 N -2.03 1.86 -0.07 0.71 0.00 0.15 -4.81 107.32 103.14 3kc0 s GLY 241 Ca 0.71 -0.29 0.01 0.00 0.00 0.00 0.00 44.72 45.15 3kc0 s GLY 241 CO 0.33 -0.12 -0.07 0.00 0.00 0.00 0.00 173.10 173.24 3kc0 s ALA 242 N -2.39 2.96 -0.14 3.20 0.00 -1.26 -1.11 121.76 123.00 3kc0 s ALA 242 Ca 0.50 -0.90 -0.10 0.00 0.00 0.00 0.00 51.96 51.46 3kc0 s ALA 242 Cb -0.10 -1.21 0.05 0.00 0.00 0.00 0.00 23.12 21.85 3kc0 s ALA 242 CO 0.33 0.57 0.36 1.03 0.00 0.00 0.00 175.76 178.06 3kc0 s ARG 243 N -0.81 0.38 -0.29 0.00 1.81 -1.04 -4.96 118.95 114.04 3kc0 s ARG 243 Ca 0.12 0.61 0.03 0.00 -1.72 0.00 0.00 55.73 54.78 3kc0 s ARG 243 Cb -0.11 0.07 0.18 0.00 -0.45 0.00 0.00 34.95 34.64 3kc0 s ARG 243 CO 0.01 -0.11 0.52 -0.47 -0.68 0.00 0.00 175.30 174.57 3kc0 s TYR 244 N 0.82 -1.49 0.11 -0.53 5.04 -1.26 -3.93 117.35 116.10 3kc0 s TYR 244 Ca -0.05 0.92 -0.05 0.00 -2.44 0.00 0.00 57.07 55.45 3kc0 s TYR 244 Cb -0.06 0.18 -0.16 0.00 0.35 0.00 0.00 41.96 42.27 3kc0 s TYR 244 CO -0.06 -1.00 1.24 0.28 -1.34 0.00 0.00 175.55 174.67 3kc0 h VAL 245 N 6.06 1.42 0.00 3.14 2.07 -1.97 -3.48 116.25 123.49 3kc0 h VAL 245 Ca -0.08 -2.62 0.00 0.00 0.82 0.00 0.00 66.70 64.82 3kc0 h VAL 245 Cb 1.16 2.59 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3kc0 h VAL 245 CO 0.21 0.78 0.00 0.61 0.02 0.00 0.00 177.57 179.19 3kc0 n GLY 246 N 1.15 2.81 3.42 2.17 0.00 -1.26 -5.01 105.19 108.46 3kc0 n GLY 246 Ca -0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.54 3kc0 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kc0 s SER 247 N -1.32 5.71 0.22 1.61 0.15 -1.26 -4.85 113.70 113.96 3kc0 s SER 247 Ca 0.00 -0.75 -0.10 0.00 0.70 0.00 0.00 55.95 55.80 3kc0 s SER 247 Cb 0.00 -2.03 0.32 0.00 -1.71 0.00 0.00 66.02 62.59 3kc0 s SER 247 CO 0.00 -0.30 1.66 -0.03 1.20 0.00 0.00 173.24 175.77 3kc0 h MET 248 N 8.42 0.12 -0.57 5.44 4.05 -1.94 -0.57 114.93 129.87 3kc0 h MET 248 Ca -0.29 -0.01 0.09 0.00 -0.28 0.00 0.00 59.70 59.22 3kc0 h MET 248 Cb 1.13 -0.03 -0.07 0.00 -0.80 0.00 0.00 31.60 31.83 3kc0 h MET 248 CO 0.65 0.08 0.17 0.28 0.23 0.00 0.00 176.91 178.32 3kc0 h VAL 249 N 0.12 0.73 -0.13 -5.77 2.07 -1.94 0.21 116.25 111.54 3kc0 h VAL 249 Ca 0.34 -0.11 -0.01 0.00 0.82 0.00 0.00 66.70 67.73 3kc0 h VAL 249 Cb 0.55 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.69 3kc0 h VAL 249 CO -0.55 0.06 0.03 0.00 0.02 0.00 0.00 177.57 177.13 3kc0 h ALA 250 N 1.42 0.17 -0.61 1.67 0.00 -1.50 -1.44 119.26 118.98 3kc0 h ALA 250 Ca 0.29 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3kc0 h ALA 250 Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3kc0 h ALA 250 CO -0.33 -0.19 0.21 -0.44 0.00 0.00 0.00 179.25 178.50 3kc0 h ASP 251 N 0.01 0.86 -0.34 0.00 3.32 -0.70 -1.88 116.42 117.69 3kc0 h ASP 251 Ca 0.04 -0.19 -0.13 0.00 0.02 0.00 0.00 57.03 56.77 3kc0 h ASP 251 Cb 0.26 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3kc0 h ASP 251 CO 0.00 0.82 -0.27 0.58 -1.72 0.00 0.00 179.24 178.65 3kc0 h VAL 252 N 0.85 1.27 -0.59 -1.35 2.07 -0.59 -2.31 116.25 115.61 3kc0 h VAL 252 Ca 0.20 -1.42 -0.08 0.00 0.82 0.00 0.00 66.70 66.21 3kc0 h VAL 252 Cb 0.25 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3kc0 h VAL 252 CO -0.01 0.48 0.05 -0.74 0.02 0.00 0.00 177.57 177.36 3kc0 h HIS 253 N 0.72 1.05 -0.36 1.57 -0.00 -1.07 -0.05 115.15 117.02 3kc0 h HIS 253 Ca 0.09 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.29 3kc0 h HIS 253 Cb 0.82 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.93 3kc0 h HIS 253 CO 0.05 0.92 0.17 -0.09 -0.00 0.00 0.00 177.93 178.98 3kc0 h ARG 254 N 0.92 0.52 -0.58 5.26 2.43 -1.23 -0.72 114.38 120.97 3kc0 h ARG 254 Ca 0.18 -0.08 0.08 0.00 -0.81 0.00 0.00 59.98 59.34 3kc0 h ARG 254 Cb 0.47 -0.09 -0.06 0.00 -0.42 0.00 0.00 29.97 29.87 3kc0 h ARG 254 CO 0.02 0.47 0.25 1.15 -1.51 0.00 0.00 179.97 180.35 3kc0 h THR 255 N 0.44 0.84 -0.02 0.20 2.02 -0.95 0.72 112.91 116.17 3kc0 h THR 255 Ca 0.12 -0.16 0.00 0.00 0.77 0.00 0.00 66.41 67.15 3kc0 h THR 255 Cb 0.12 0.34 -0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3kc0 h THR 255 CO -0.02 0.08 -0.00 0.25 0.37 0.00 0.00 175.52 176.20 3kc0 h LEU 256 N 0.46 -0.01 -0.15 2.58 5.85 -0.55 0.88 115.31 124.38 3kc0 h LEU 256 Ca 0.28 0.00 -0.06 0.00 0.84 0.00 0.00 57.88 58.94 3kc0 h LEU 256 Cb 0.29 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.32 3kc0 h LEU 256 CO -0.25 -0.01 -0.15 0.58 -0.34 0.00 0.00 178.44 178.28 3kc0 h VAL 257 N -0.00 1.35 0.00 1.05 2.07 -0.45 -3.35 116.25 116.92 3kc0 h VAL 257 Ca 0.01 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3kc0 h VAL 257 Cb 0.01 1.88 0.00 0.00 -1.52 0.00 0.00 31.29 31.66 3kc0 h VAL 257 CO -0.02 0.38 -1.12 -1.22 0.02 0.00 0.00 177.57 175.62 3kc0 n TYR 258 N -4.55 0.01 0.00 1.57 4.01 0.24 -4.90 117.16 113.54 3kc0 n TYR 258 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.68 3kc0 n TYR 258 Cb 0.36 -0.10 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 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 -1.33 0.00 2.72 0.00 0.31 -4.67 105.19 103.68 3kc0 n GLY 259 Ca 0.03 -1.58 0.00 0.00 0.00 0.00 0.00 46.02 44.47 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 -1.42 0.24 3.02 -0.02 0.00 -1.26 -4.53 105.19 101.23 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 0.02 -0.05 -0.61 2.07 -0.55 0.33 121.20 122.41 3kc0 s ILE 261 Ca 0.00 -0.15 0.06 0.00 -1.41 0.00 0.00 60.65 59.15 3kc0 s ILE 261 Cb 0.00 -0.23 -0.01 0.00 0.13 0.00 0.00 42.46 42.34 3kc0 s ILE 261 CO 0.00 -0.08 -0.23 0.12 -1.91 0.00 0.00 174.94 172.83 3kc0 s PHE 262 N -0.24 2.25 0.00 3.50 5.36 0.95 -0.99 117.98 128.82 3kc0 s PHE 262 Ca -0.03 -0.63 0.01 0.00 -0.96 0.00 0.00 56.93 55.32 3kc0 s PHE 262 Cb -0.02 -1.48 -0.00 0.00 -0.34 0.00 0.00 43.02 41.17 3kc0 s PHE 262 CO 0.00 -0.18 -0.04 -0.51 -1.46 0.00 0.00 175.22 173.04 3kc0 s LEU 263 N -0.19 2.03 -0.44 6.12 1.02 -0.15 -1.10 118.68 125.96 3kc0 s LEU 263 Ca -0.02 -0.11 0.06 0.00 0.02 0.00 0.00 54.13 54.08 3kc0 s LEU 263 Cb -0.13 -0.16 0.22 0.00 0.02 0.00 0.00 46.19 46.14 3kc0 s LEU 263 CO 0.03 0.01 0.63 0.00 0.02 0.00 0.00 176.35 177.04 3kc0 n TYR 264 N 2.83 -1.91 -1.96 0.29 4.19 -0.43 -4.43 117.16 115.74 3kc0 n TYR 264 Ca -0.14 -2.63 -0.29 0.00 3.31 0.00 0.00 57.90 58.15 3kc0 n TYR 264 Cb 0.58 0.62 0.13 0.00 0.49 0.00 0.00 39.34 41.16 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 -0.07 1.47 0.40 2.98 0.04 -1.26 -1.90 135.00 136.66 3kc0 s PRO 265 Ca 0.33 -0.16 0.03 0.00 0.04 0.00 0.00 61.00 61.24 3kc0 s PRO 265 Cb 0.14 -1.94 -0.00 0.00 0.04 0.00 0.00 34.50 32.73 3kc0 s PRO 265 CO -0.16 -1.88 0.59 0.00 0.04 0.00 0.00 177.00 175.59 3kc0 s ALA 266 N -3.66 3.99 0.06 8.56 0.00 -1.26 -4.61 121.76 124.84 3kc0 s ALA 266 Ca 0.67 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 51.35 3kc0 s ALA 266 Cb -0.08 -1.92 0.01 0.00 0.00 0.00 0.00 23.12 21.12 3kc0 s ALA 266 CO 0.50 -0.24 0.10 0.27 0.00 0.00 0.00 175.76 176.39 3kc0 n ASN 267 N -1.89 -0.29 -0.34 0.00 0.23 -0.80 -4.42 115.26 107.75 3kc0 n ASN 267 Ca 0.01 -1.29 -0.01 0.00 -0.53 0.00 0.00 54.58 52.76 3kc0 n ASN 267 Cb 0.58 0.51 0.14 0.00 -2.08 0.00 0.00 39.78 38.94 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 1.25 0.00 -3.83 1.79 -1.94 -2.24 116.57 111.60 3kc0 h LYS 268 Ca -0.05 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.34 3kc0 h LYS 268 Cb 0.20 -0.28 -0.00 0.00 -1.58 0.00 0.00 32.23 30.57 3kc0 h LYS 268 CO 0.06 0.83 -0.08 0.87 -1.08 0.00 0.00 179.45 180.06 3kc0 h LYS 269 N 1.28 0.00 -2.33 3.15 1.57 -1.97 -3.37 116.57 114.90 3kc0 h LYS 269 Ca 0.35 0.00 -0.59 0.00 -1.87 0.00 0.00 60.65 58.54 3kc0 h LYS 269 Cb -0.15 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 31.77 3kc0 h LYS 269 CO -0.07 0.04 -0.90 0.43 -0.57 0.00 0.00 179.45 178.37 3kc0 n SER 270 N -3.09 0.93 0.09 0.86 7.64 -0.94 -4.97 113.62 114.14 3kc0 n SER 270 Ca 0.04 -2.77 0.20 0.00 1.01 0.00 0.00 58.87 57.34 3kc0 n SER 270 Cb 0.55 -0.63 0.66 0.00 -1.01 0.00 0.00 64.21 63.77 3kc0 n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kc0 h PRO 271 N 4.84 0.00 0.00 1.43 0.11 -1.59 -1.60 132.00 135.18 3kc0 h PRO 271 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3kc0 h PRO 271 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 3kc0 h PRO 271 CO 0.53 0.00 -0.08 0.09 -0.21 0.00 0.00 178.00 178.33 3kc0 n ASN 272 N -3.39 1.63 0.00 -2.05 4.13 -1.26 -4.74 115.26 109.58 3kc0 n ASN 272 Ca 0.08 -2.35 0.00 0.00 1.68 0.00 0.00 54.58 53.99 3kc0 n ASN 272 Cb 0.77 -0.21 0.00 0.00 -1.54 0.00 0.00 39.78 38.80 3kc0 n ASN 272 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3kc0 n GLY 273 N -0.77 -2.20 0.04 7.41 0.00 -0.67 -0.75 105.19 108.25 3kc0 n GLY 273 Ca 0.07 -1.67 -0.06 0.00 0.00 0.00 0.00 46.02 44.36 3kc0 n GLY 273 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc0 n LYS 274 N -0.15 0.34 -1.97 1.61 5.02 -1.26 -4.64 118.16 117.11 3kc0 n LYS 274 Ca 0.00 0.05 -0.35 0.00 -2.02 0.00 0.00 58.31 55.99 3kc0 n LYS 274 Cb 0.00 -1.18 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3kc0 n LYS 274 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3kc0 s LEU 275 N -5.46 3.61 0.09 -0.35 1.43 -1.26 -4.79 118.68 111.94 3kc0 s LEU 275 Ca -0.11 2.29 -0.17 0.00 -1.03 0.00 0.00 54.13 55.10 3kc0 s LEU 275 Cb 0.03 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.60 3kc0 s LEU 275 CO 0.21 -1.59 0.54 -0.13 0.23 0.00 0.00 176.35 175.61 3kc0 s ARG 276 N -3.48 4.10 0.01 1.70 3.00 -1.26 -0.88 118.95 122.14 3kc0 s ARG 276 Ca 0.75 0.62 -0.25 0.00 0.00 0.00 0.00 55.73 56.85 3kc0 s ARG 276 Cb -0.28 -3.14 -0.18 0.00 0.00 0.00 0.00 34.95 31.36 3kc0 s ARG 276 CO 0.34 0.60 1.30 1.25 0.00 0.00 0.00 175.30 178.79 3kc0 h LEU 277 N 4.25 -0.18 -0.20 2.53 5.85 -1.43 0.12 115.31 126.25 3kc0 h LEU 277 Ca -0.50 -0.27 0.01 0.00 0.84 0.00 0.00 57.88 57.97 3kc0 h LEU 277 Cb 1.21 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.27 3kc0 h LEU 277 CO 0.64 0.19 0.10 -0.07 -0.34 0.00 0.00 178.44 178.96 3kc0 h LEU 278 N -0.56 0.15 -1.56 2.25 3.38 -1.79 -0.32 115.31 116.86 3kc0 h LEU 278 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3kc0 h LEU 278 Cb 0.43 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.16 3kc0 h LEU 278 CO 0.03 0.12 0.00 0.00 0.09 0.00 0.00 178.44 178.68 3kc0 n TYR 279 N -5.00 0.05 0.02 1.13 0.18 -1.26 -4.48 117.16 107.80 3kc0 n TYR 279 Ca -0.03 -0.06 0.00 0.00 1.88 0.00 0.00 57.90 59.69 3kc0 n TYR 279 Cb 0.05 -0.00 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 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 0.51 0.00 0.05 -3.48 1.02 -0.97 -4.25 120.64 113.52 3kc0 n GLU 280 Ca 0.06 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.10 3kc0 n GLU 280 Cb 0.26 -0.40 -0.07 0.00 -0.02 0.00 0.00 31.44 31.20 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 -0.90 -0.19 -0.36 0.00 -0.26 -1.29 0.29 115.58 112.87 3kc0 h ASN 282 Ca -0.02 0.04 0.07 0.00 -0.56 0.00 0.00 56.30 55.83 3kc0 h ASN 282 Cb 0.51 0.10 -0.07 0.00 -1.06 0.00 0.00 38.32 37.80 3kc0 h ASN 282 CO 0.04 -0.08 -0.10 -0.65 -1.06 0.00 0.00 177.43 175.58 3kc0 h PRO 283 N -0.06 -0.01 -0.49 0.81 0.11 -1.79 0.32 132.00 130.89 3kc0 h PRO 283 Ca 0.06 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.09 3kc0 h PRO 283 Cb 0.15 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.24 3kc0 h PRO 283 CO -0.13 -0.01 -0.02 0.52 -0.21 0.00 0.00 178.00 178.15 3kc0 h MET 284 N -0.01 0.84 -0.42 1.05 2.86 -1.47 -1.60 114.93 116.18 3kc0 h MET 284 Ca 0.17 -0.24 -0.01 0.00 -2.06 0.00 0.00 59.70 57.57 3kc0 h MET 284 Cb 0.28 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 3kc0 h MET 284 CO -0.38 0.85 0.23 0.00 1.06 0.00 0.00 176.91 178.67 3kc0 h ALA 285 N 1.20 0.54 -0.08 6.32 0.00 0.78 -0.76 119.26 127.26 3kc0 h ALA 285 Ca 0.15 -0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kc0 h ALA 285 Cb 0.49 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3kc0 h ALA 285 CO 0.02 0.06 -0.01 -0.92 0.00 0.00 0.00 179.25 178.41 3kc0 h TYR 286 N 0.54 -0.02 -0.26 0.00 3.20 -0.12 -1.27 116.97 119.05 3kc0 h TYR 286 Ca 0.15 0.01 0.04 0.00 3.14 0.00 0.00 58.73 62.06 3kc0 h TYR 286 Cb 0.05 0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.31 3kc0 h TYR 286 CO -0.02 -0.02 0.04 0.28 -1.64 0.00 0.00 178.16 176.80 3kc0 h VAL 287 N 0.02 0.86 -0.02 1.81 2.07 -1.06 -1.77 116.25 118.17 3kc0 h VAL 287 Ca 0.04 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.53 3kc0 h VAL 287 Cb 0.05 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 3kc0 h VAL 287 CO -0.07 0.02 -0.10 0.24 0.02 0.00 0.00 177.57 177.69 3kc0 h MET 288 N 0.13 -0.15 -0.89 1.57 2.86 -0.88 -2.03 114.93 115.55 3kc0 h MET 288 Ca 0.12 0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.80 3kc0 h MET 288 Cb 0.13 0.03 -0.05 0.00 0.06 0.00 0.00 31.60 31.77 3kc0 h MET 288 CO -0.17 -0.10 0.58 0.93 1.06 0.00 0.00 176.91 179.21 3kc0 h GLU 289 N -0.16 1.11 0.00 1.72 5.08 -1.02 0.70 114.58 122.02 3kc0 h GLU 289 Ca 0.04 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3kc0 h GLU 289 Cb 0.21 -0.25 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 3kc0 h GLU 289 CO -0.11 0.73 -0.08 0.87 -1.00 0.00 0.00 179.01 179.42 3kc0 h LYS 290 N 1.14 0.00 -0.31 2.33 6.56 -1.15 -1.75 116.57 123.40 3kc0 h LYS 290 Ca 0.35 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.94 3kc0 h LYS 290 Cb -0.04 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.62 3kc0 h LYS 290 CO -0.10 0.08 0.00 0.00 -2.06 0.00 0.00 179.45 177.37 3kc0 n ALA 291 N -2.16 2.46 -0.67 3.86 0.00 -0.32 -4.54 120.51 119.14 3kc0 n ALA 291 Ca -0.00 -0.75 0.00 0.00 0.00 0.00 0.00 53.44 52.68 3kc0 n ALA 291 Cb 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.77 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 1.29 0.62 0.90 0.00 0.00 -0.66 -0.45 105.19 106.88 3kc0 n GLY 292 Ca 0.17 -0.40 -0.05 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.67 2.32 3.26 -0.02 0.00 0.23 -4.49 105.19 103.82 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 -2.58 1.09 -0.24 1.61 1.00 -0.83 -3.71 119.30 115.63 3kc0 s MET 294 Ca 0.12 -1.44 -0.02 0.00 0.00 0.00 0.00 55.69 54.35 3kc0 s MET 294 Cb -0.01 -0.72 0.12 0.00 0.00 0.00 0.00 34.83 34.22 3kc0 s MET 294 CO 0.07 0.10 0.31 0.00 0.00 0.00 0.00 175.02 175.51 3kc0 s ALA 295 N -3.11 -0.70 0.25 3.03 0.00 -1.26 -1.91 121.76 118.06 3kc0 s ALA 295 Ca 0.16 0.38 0.11 0.00 0.00 0.00 0.00 51.96 52.60 3kc0 s ALA 295 Cb 0.01 -1.62 -0.05 0.00 0.00 0.00 0.00 23.12 21.46 3kc0 s ALA 295 CO 0.02 -1.39 -0.18 -0.08 0.00 0.00 0.00 175.76 174.13 3kc0 s THR 296 N 2.44 2.24 -1.66 0.00 -1.32 -0.12 -1.21 115.64 116.00 3kc0 s THR 296 Ca 0.10 -2.32 0.22 0.00 -1.21 0.00 0.00 61.69 58.48 3kc0 s THR 296 Cb -0.15 -2.20 -0.09 0.00 -1.51 0.00 0.00 72.50 68.55 3kc0 s THR 296 CO -0.20 -0.44 1.02 0.35 -2.21 0.00 0.00 174.62 173.14 3kc0 n THR 297 N -0.49 0.00 0.00 5.08 -2.24 0.15 -0.54 114.28 116.25 3kc0 n THR 297 Ca -0.06 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 3kc0 n THR 297 Cb 0.60 1.16 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 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 -4.72 105.19 107.20 3kc0 n GLY 298 Ca 0.07 -1.00 -0.02 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 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.24 3kc0 n LYS 299 Cb 0.00 -1.60 -0.02 0.00 -0.02 0.00 0.00 35.03 33.39 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 -2.88 1.26 0.22 1.97 -1.05 -1.26 -5.13 118.70 111.82 3kc0 s GLU 300 Ca -0.08 -0.67 -0.31 0.00 -0.15 0.00 0.00 54.97 53.77 3kc0 s GLU 300 Cb 0.09 0.45 -0.11 0.00 -0.44 0.00 0.00 34.13 34.12 3kc0 s GLU 300 CO 0.85 -0.57 1.55 0.00 0.95 0.00 0.00 175.26 178.04 3kc0 s ALA 301 N -3.40 3.74 0.24 -0.84 0.00 -1.26 -0.67 121.76 119.57 3kc0 s ALA 301 Ca 0.11 1.43 -0.06 0.00 0.00 0.00 0.00 51.96 53.43 3kc0 s ALA 301 Cb -0.02 -3.62 0.43 0.00 0.00 0.00 0.00 23.12 19.91 3kc0 s ALA 301 CO 0.01 -0.83 1.69 0.28 0.00 0.00 0.00 175.76 176.91 3kc0 h VAL 302 N 3.71 0.53 0.00 0.00 2.07 -1.45 0.02 116.25 121.13 3kc0 h VAL 302 Ca -0.45 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 66.98 3kc0 h VAL 302 Cb 1.21 0.25 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 3kc0 h VAL 302 CO 0.85 0.05 0.00 -0.07 0.02 0.00 0.00 177.57 178.42 3kc0 h LEU 303 N 0.26 0.00 0.00 2.57 3.38 -1.90 -2.47 115.31 117.15 3kc0 h LEU 303 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 3kc0 h LEU 303 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 3kc0 h LEU 303 CO -0.50 0.00 -0.63 0.47 0.09 0.00 0.00 178.44 177.87 3kc0 n ASP 304 N -2.91 0.59 -4.71 -0.43 8.00 -0.01 -0.49 116.55 116.59 3kc0 n ASP 304 Ca -0.02 -0.11 -0.42 0.00 0.71 0.00 0.00 54.79 54.95 3kc0 n ASP 304 Cb 0.09 0.31 -0.03 0.00 -0.02 0.00 0.00 41.12 41.47 3kc0 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kc0 s VAL 305 N -3.09 2.69 -0.38 2.53 1.01 -0.93 -4.94 120.40 117.28 3kc0 s VAL 305 Ca 0.08 0.40 -0.17 0.00 0.00 0.00 0.00 61.98 62.28 3kc0 s VAL 305 Cb 0.15 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.28 3kc0 s VAL 305 CO 0.72 0.02 0.45 -0.63 0.00 0.00 0.00 175.10 175.67 3kc0 s ILE 306 N 1.70 5.07 0.67 2.22 1.01 -1.26 -4.24 121.20 126.36 3kc0 s ILE 306 Ca 0.72 0.00 -0.16 0.00 0.00 0.00 0.00 60.65 61.22 3kc0 s ILE 306 Cb -0.43 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.08 3kc0 s ILE 306 CO 0.32 -0.28 1.15 -2.16 0.00 0.00 0.00 174.94 173.97 3kc0 s PRO 307 N 2.23 2.64 0.00 2.79 0.04 -1.26 -4.96 135.00 136.48 3kc0 s PRO 307 Ca 0.15 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.75 3kc0 s PRO 307 Cb -0.16 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3kc0 s PRO 307 CO 0.13 -1.40 0.00 0.25 0.04 0.00 0.00 177.00 176.02 3kc0 n THR 308 N -2.35 0.00 -3.90 1.26 -2.24 -1.26 -4.79 114.28 100.99 3kc0 n THR 308 Ca 0.12 -0.05 -0.20 0.00 -2.27 0.00 0.00 64.05 61.65 3kc0 n THR 308 Cb 0.51 0.43 -0.17 0.00 -2.10 0.00 0.00 70.33 69.00 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 -1.20 0.99 0.58 3.42 2.15 -1.26 -5.04 116.67 116.30 3kc0 s ASP 309 Ca 0.00 -0.06 0.29 0.00 0.43 0.00 0.00 52.55 53.21 3kc0 s ASP 309 Cb 0.00 -0.33 1.48 0.00 -0.30 0.00 0.00 42.92 43.77 3kc0 s ASP 309 CO 0.00 -0.14 1.91 0.16 -0.17 0.00 0.00 175.17 176.94 3kc0 h ILE 310 N 6.27 0.41 -0.36 4.11 3.07 -1.92 -0.53 117.51 128.55 3kc0 h ILE 310 Ca -0.31 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.10 3kc0 h ILE 310 Cb 1.13 0.63 0.00 0.00 -0.27 0.00 0.00 36.82 38.31 3kc0 h ILE 310 CO 0.37 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 3kc0 n HIS 311 N -3.81 0.98 -2.01 0.16 8.25 -1.26 -4.50 115.22 113.03 3kc0 n HIS 311 Ca 0.09 -0.73 -0.38 0.00 -0.26 0.00 0.00 57.72 56.44 3kc0 n HIS 311 Cb 0.67 -0.25 0.02 0.00 1.12 0.00 0.00 29.99 31.55 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 -2.23 3.41 0.62 -0.41 -2.07 -0.21 -4.84 119.66 113.93 3kc0 s GLN 312 Ca 0.39 2.00 -0.05 0.00 -1.82 0.00 0.00 55.36 55.88 3kc0 s GLN 312 Cb 0.29 -2.30 0.03 0.00 -1.09 0.00 0.00 33.01 29.93 3kc0 s GLN 312 CO 0.13 -0.90 0.91 1.03 -1.32 0.00 0.00 175.29 175.14 3kc0 s ARG 313 N -2.84 2.65 -0.28 9.60 0.52 -1.26 -1.26 118.95 126.09 3kc0 s ARG 313 Ca 0.68 -0.19 -0.19 0.00 -0.52 0.00 0.00 55.73 55.51 3kc0 s ARG 313 Cb -0.34 -2.28 0.08 0.00 0.52 0.00 0.00 34.95 32.93 3kc0 s ARG 313 CO 0.41 -0.85 0.74 0.00 0.02 0.00 0.00 175.30 175.61 3kc0 s ALA 314 N -3.03 -1.88 0.59 2.13 0.00 0.07 -4.60 121.76 115.04 3kc0 s ALA 314 Ca 0.56 2.26 -0.17 0.00 0.00 0.00 0.00 51.96 54.61 3kc0 s ALA 314 Cb -0.11 -1.37 -0.04 0.00 0.00 0.00 0.00 23.12 21.61 3kc0 s ALA 314 CO 0.44 -0.36 1.09 -1.25 0.00 0.00 0.00 175.76 175.69 3kc0 s PRO 315 N 1.15 3.20 -0.15 0.00 0.04 -0.37 -4.30 135.00 134.58 3kc0 s PRO 315 Ca -0.06 1.41 -0.08 0.00 0.04 0.00 0.00 61.00 62.30 3kc0 s PRO 315 Cb -0.05 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.54 3kc0 s PRO 315 CO -0.12 -0.93 0.36 0.54 0.04 0.00 0.00 177.00 176.89 3kc0 s VAL 316 N -2.16 -0.03 -0.13 -0.36 0.11 -0.80 -4.26 120.40 112.78 3kc0 s VAL 316 Ca 0.68 0.10 -0.00 0.00 -2.93 0.00 0.00 61.98 59.82 3kc0 s VAL 316 Cb -0.20 -0.54 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3kc0 s VAL 316 CO 0.34 0.04 -0.07 -0.63 -3.33 0.00 0.00 175.10 171.44 3kc0 s ILE 317 N 1.25 1.08 0.18 7.04 1.09 0.30 -1.32 121.20 130.83 3kc0 s ILE 317 Ca -0.09 -0.41 -0.03 0.00 -1.10 0.00 0.00 60.65 59.02 3kc0 s ILE 317 Cb -0.08 -1.14 -0.03 0.00 -1.06 0.00 0.00 42.46 40.14 3kc0 s ILE 317 CO -0.10 0.30 0.16 -1.48 -0.10 0.00 0.00 174.94 173.71 3kc0 s LEU 318 N 1.68 1.25 0.00 2.97 0.05 -0.26 -0.95 118.68 123.42 3kc0 s LEU 318 Ca 0.04 -1.23 0.00 0.00 0.05 0.00 0.00 54.13 52.99 3kc0 s LEU 318 Cb -0.13 0.58 0.00 0.00 -2.05 0.00 0.00 46.19 44.59 3kc0 s LEU 318 CO -0.08 -0.84 0.00 0.61 -0.55 0.00 0.00 176.35 175.49 3kc0 n GLY 319 N -0.22 0.55 3.65 -3.48 0.00 -0.80 -0.03 105.19 104.86 3kc0 n GLY 319 Ca -0.02 -1.73 -0.45 0.00 0.00 0.00 0.00 46.02 43.82 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 2.41 -0.02 1.61 7.64 0.15 -1.96 113.62 123.45 3kc0 n SER 320 Ca 0.00 1.15 -0.09 0.00 1.01 0.00 0.00 58.87 60.95 3kc0 n SER 320 Cb 0.00 -1.39 -0.03 0.00 -1.01 0.00 0.00 64.21 61.78 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 3.65 -0.08 -0.07 1.43 0.13 -1.74 -1.08 132.00 134.23 3kc0 h PRO 321 Ca -0.44 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 64.71 3kc0 h PRO 321 Cb 1.29 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 3kc0 h PRO 321 CO 0.72 -0.05 0.05 -0.44 -0.23 0.00 0.00 178.00 178.05 3kc0 h ASP 322 N -0.08 0.00 0.04 1.44 3.45 -1.68 0.12 116.42 119.72 3kc0 h ASP 322 Ca 0.10 0.00 -0.19 0.00 0.43 0.00 0.00 57.03 57.37 3kc0 h ASP 322 Cb 0.23 0.00 0.02 0.00 -0.56 0.00 0.00 39.33 39.01 3kc0 h ASP 322 CO -0.22 0.00 -0.77 0.44 -1.57 0.00 0.00 179.24 177.11 3kc0 h ASP 323 N 0.00 0.60 -0.43 6.45 3.45 -1.56 -2.01 116.42 122.92 3kc0 h ASP 323 Ca 0.03 -0.81 -0.06 0.00 0.43 0.00 0.00 57.03 56.62 3kc0 h ASP 323 Cb 0.14 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 3kc0 h ASP 323 CO -0.00 1.34 0.02 0.58 -1.57 0.00 0.00 179.24 179.61 3kc0 h VAL 324 N -0.06 1.26 -0.93 -1.35 2.07 -0.77 -1.88 116.25 114.58 3kc0 h VAL 324 Ca -0.11 -0.99 0.04 0.00 0.82 0.00 0.00 66.70 66.46 3kc0 h VAL 324 Cb 1.50 1.05 -0.06 0.00 -1.52 0.00 0.00 31.29 32.26 3kc0 h VAL 324 CO 0.15 0.34 0.61 -0.07 0.02 0.00 0.00 177.57 178.62 3kc0 h LEU 325 N 0.59 0.99 -0.67 2.57 4.07 -0.82 -0.07 115.31 121.97 3kc0 h LEU 325 Ca 0.12 -0.01 -0.09 0.00 0.08 0.00 0.00 57.88 57.99 3kc0 h LEU 325 Cb 0.46 -0.22 -0.02 0.00 1.08 0.00 0.00 40.66 41.95 3kc0 h LEU 325 CO 0.02 0.67 0.07 -0.08 -1.08 0.00 0.00 178.44 178.03 3kc0 h GLU 326 N 1.14 1.10 -0.33 1.13 4.81 -1.00 -1.67 114.58 119.76 3kc0 h GLU 326 Ca 0.38 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.29 3kc0 h GLU 326 Cb 0.06 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 3kc0 h GLU 326 CO -0.12 1.03 0.17 0.35 -0.73 0.00 0.00 179.01 179.71 3kc0 h PHE 327 N 1.02 0.47 -0.51 0.92 3.57 -0.43 -2.37 116.94 119.61 3kc0 h PHE 327 Ca 0.19 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.73 3kc0 h PHE 327 Cb 0.49 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 3kc0 h PHE 327 CO 0.04 0.39 0.34 -0.07 -2.23 0.00 0.00 178.31 176.78 3kc0 h LEU 328 N 0.41 0.43 -0.40 0.59 3.38 -0.69 0.25 115.31 119.28 3kc0 h LEU 328 Ca 0.12 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3kc0 h LEU 328 Cb 0.08 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3kc0 h LEU 328 CO -0.02 0.28 0.17 0.50 0.09 0.00 0.00 178.44 179.46 3kc0 h LYS 329 N 0.49 0.60 -0.41 1.13 3.64 -0.81 -0.26 116.57 120.95 3kc0 h LYS 329 Ca 0.22 -0.10 -0.14 0.00 -1.27 0.00 0.00 60.65 59.36 3kc0 h LYS 329 Cb 0.24 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 31.95 3kc0 h LYS 329 CO -0.06 0.56 -0.28 0.28 -2.27 0.00 0.00 179.45 177.67 3kc0 h VAL 330 N 0.51 1.27 -0.57 2.00 2.07 -0.86 -1.97 116.25 118.70 3kc0 h VAL 330 Ca 0.13 -1.44 0.00 0.00 0.82 0.00 0.00 66.70 66.22 3kc0 h VAL 330 Cb 0.18 1.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kc0 h VAL 330 CO -0.01 0.48 0.36 0.22 0.02 0.00 0.00 177.57 178.64 3kc0 h TYR 331 N 0.74 0.74 -0.69 1.57 3.20 -0.21 -2.48 116.97 119.84 3kc0 h TYR 331 Ca 0.09 0.01 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3kc0 h TYR 331 Cb 0.84 -0.24 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 3kc0 h TYR 331 CO 0.05 0.49 0.26 1.49 -1.64 0.00 0.00 178.16 178.81 3kc0 h GLU 332 N 0.77 1.04 -0.57 1.82 4.57 -0.94 -2.13 114.58 119.15 3kc0 h GLU 332 Ca 0.21 -0.20 0.16 0.00 -1.18 0.00 0.00 59.36 58.35 3kc0 h GLU 332 Cb -0.05 -0.17 -0.02 0.00 -0.16 0.00 0.00 28.75 28.35 3kc0 h GLU 332 CO -0.04 0.87 0.40 -0.22 -1.18 0.00 0.00 179.01 178.85 3kc0 h LYS 333 N 0.99 0.04 -0.77 1.92 3.64 -0.90 0.17 116.57 121.66 3kc0 h LYS 333 Ca 0.23 -0.00 -0.28 0.00 -1.27 0.00 0.00 60.65 59.33 3kc0 h LYS 333 Cb 0.23 -0.01 -0.16 0.00 -0.41 0.00 0.00 32.23 31.88 3kc0 h LYS 333 CO -0.02 0.03 0.33 0.72 -2.27 0.00 0.00 179.45 178.25 3kc0 n HIS 334 N -4.38 2.51 -0.84 1.91 8.25 -0.81 -5.11 115.22 116.75 3kc0 n HIS 334 Ca 0.11 -1.35 0.00 0.00 -0.26 0.00 0.00 57.72 56.21 3kc0 n HIS 334 Cb 0.61 -0.73 0.00 0.00 1.12 0.00 0.00 29.99 30.99 3kc0 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41