#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc1 n VAL 10 N 0.00 4.69 -3.94 2.53 3.14 -1.26 -5.03 118.33 118.46 3kc1 n VAL 10 Ca 0.00 -0.48 -0.10 0.00 -2.96 0.00 0.00 64.34 60.80 3kc1 n VAL 10 Cb 0.00 -1.46 -0.12 0.00 -1.06 0.00 0.00 33.84 31.20 3kc1 n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3kc1 s ASN 11 N -1.44 0.15 0.35 6.55 3.84 -1.26 -5.09 114.94 118.05 3kc1 s ASN 11 Ca 0.82 -0.31 0.08 0.00 0.21 0.00 0.00 52.86 53.66 3kc1 s ASN 11 Cb -0.37 0.06 -0.07 0.00 -0.55 0.00 0.00 41.25 40.32 3kc1 s ASN 11 CO 0.41 -0.19 -0.05 0.42 -2.79 0.00 0.00 177.10 174.91 3kc1 s THR 12 N -0.91 2.01 0.20 -5.21 -4.23 -1.26 -1.95 115.64 104.27 3kc1 s THR 12 Ca -0.10 -2.12 -0.11 0.00 -1.18 0.00 0.00 61.69 58.18 3kc1 s THR 12 Cb -0.06 -2.74 0.12 0.00 1.34 0.00 0.00 72.50 71.16 3kc1 s THR 12 CO -0.01 -0.14 1.83 0.25 -0.54 0.00 0.00 174.62 176.02 3kc1 h LEU 13 N 1.99 0.83 -0.31 4.79 5.85 -1.46 0.75 115.31 127.75 3kc1 h LEU 13 Ca -0.42 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.23 3kc1 h LEU 13 Cb 1.24 -0.21 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3kc1 h LEU 13 CO 0.73 0.65 0.19 0.74 -0.34 0.00 0.00 178.44 180.41 3kc1 h THR 14 N 0.94 1.10 -0.37 1.05 2.02 -1.96 -0.51 112.91 115.17 3kc1 h THR 14 Ca 0.25 -0.24 -0.06 0.00 0.77 0.00 0.00 66.41 67.13 3kc1 h THR 14 Cb -0.02 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 3kc1 h THR 14 CO -0.05 0.10 -0.01 -0.09 0.37 0.00 0.00 175.52 175.85 3kc1 h ARG 15 N 0.40 0.66 -0.02 6.66 2.43 -1.89 -1.66 114.38 120.96 3kc1 h ARG 15 Ca 0.11 -0.22 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3kc1 h ARG 15 Cb 0.00 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kc1 h ARG 15 CO -0.02 0.77 -0.02 0.35 -1.51 0.00 0.00 179.97 179.54 3kc1 h PHE 16 N 0.48 -0.05 -0.61 2.20 3.57 -0.69 -1.77 116.94 120.07 3kc1 h PHE 16 Ca 0.10 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3kc1 h PHE 16 Cb 0.48 0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.22 3kc1 h PHE 16 CO 0.04 -0.04 0.11 0.28 -2.23 0.00 0.00 178.31 176.47 3kc1 h VAL 17 N -0.03 1.26 -0.63 1.41 2.07 -1.08 -2.03 116.25 117.21 3kc1 h VAL 17 Ca 0.02 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.56 3kc1 h VAL 17 Cb 0.06 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3kc1 h VAL 17 CO -0.04 0.36 0.42 -0.03 0.02 0.00 0.00 177.57 178.30 3kc1 h MET 18 N 0.91 0.83 -0.07 1.57 1.85 -1.14 0.26 114.93 119.13 3kc1 h MET 18 Ca 0.19 -0.05 -0.01 0.00 -0.61 0.00 0.00 59.70 59.22 3kc1 h MET 18 Cb 0.41 -0.19 -0.00 0.00 0.43 0.00 0.00 31.60 32.25 3kc1 h MET 18 CO 0.01 0.55 0.02 1.49 -0.40 0.00 0.00 176.91 178.58 3kc1 h GLU 19 N 0.86 0.12 -0.78 0.39 4.57 -1.17 -0.71 114.58 117.87 3kc1 h GLU 19 Ca 0.23 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.37 3kc1 h GLU 19 Cb -0.10 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.44 3kc1 h GLU 19 CO -0.05 0.32 0.44 0.93 -1.18 0.00 0.00 179.01 179.47 3kc1 h GLU 20 N -0.10 1.07 -0.76 1.92 4.39 -1.20 -1.92 114.58 117.97 3kc1 h GLU 20 Ca 0.02 -0.11 -0.02 0.00 0.34 0.00 0.00 59.36 59.59 3kc1 h GLU 20 Cb 0.26 -0.22 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 3kc1 h GLU 20 CO 0.00 0.78 0.40 0.78 -1.16 0.00 0.00 179.01 179.81 3kc1 h GLY 21 N 1.07 1.15 1.14 -3.84 0.00 -0.82 -2.37 103.07 99.40 3kc1 h GLY 21 Ca 0.28 -0.53 -0.05 0.00 0.00 0.00 0.00 47.33 47.02 3kc1 h GLY 21 CO -0.05 0.51 0.23 -0.09 0.00 0.00 0.00 176.54 177.14 3kc1 h ARG 22 N 1.07 1.08 0.00 4.80 1.12 -0.41 -2.36 114.38 119.69 3kc1 h ARG 22 Ca 0.27 -0.22 -0.04 0.00 -1.11 0.00 0.00 59.98 58.87 3kc1 h ARG 22 Cb 0.06 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 29.85 3kc1 h ARG 22 CO -0.04 0.92 -0.21 0.87 -3.11 0.00 0.00 179.97 178.39 3kc1 h LYS 23 N 1.04 0.00 0.00 0.20 1.57 -0.87 -2.34 116.57 116.17 3kc1 h LYS 23 Ca 0.23 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 3kc1 h LYS 23 Cb 0.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.59 3kc1 h LYS 23 CO -0.01 0.21 0.00 0.00 -0.57 0.00 0.00 179.45 179.08 3kc1 n ALA 24 N -2.41 2.10 -3.97 3.86 0.00 -0.90 -4.94 120.51 114.26 3kc1 n ALA 24 Ca -0.02 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.16 3kc1 n ALA 24 Cb 0.29 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 3kc1 n ALA 24 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3kc1 n ARG 25 N -2.20 -3.38 0.00 0.00 1.74 -0.88 -4.97 116.66 106.96 3kc1 n ARG 25 Ca 0.05 0.41 0.00 0.00 -0.77 0.00 0.00 57.85 57.54 3kc1 n ARG 25 Cb 0.37 -4.61 0.00 0.00 -1.02 0.00 0.00 32.46 27.19 3kc1 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc1 n GLY 26 N -1.92 2.78 0.09 -0.13 0.00 -1.26 -5.03 105.19 99.72 3kc1 n GLY 26 Ca -0.27 -1.82 0.12 0.00 0.00 0.00 0.00 46.02 44.04 3kc1 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kc1 h THR 27 N 0.00 0.00 0.00 2.61 1.35 -1.94 -3.48 112.91 111.46 3kc1 h THR 27 Ca 0.00 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.15 3kc1 h THR 27 Cb 0.00 1.23 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 3kc1 h THR 27 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 3kc1 n GLY 28 N 1.27 0.60 0.13 5.82 0.00 -1.26 -4.99 105.19 106.76 3kc1 n GLY 28 Ca 0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.91 3kc1 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kc1 h GLU 29 N 4.58 -0.19 -0.43 1.61 5.08 -1.97 -2.15 114.58 121.11 3kc1 h GLU 29 Ca 0.00 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.40 3kc1 h GLU 29 Cb 0.00 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.27 3kc1 h GLU 29 CO 0.00 -0.13 0.29 1.25 -1.00 0.00 0.00 179.01 179.42 3kc1 h LEU 30 N -0.20 0.41 -0.23 1.33 5.85 -1.94 0.15 115.31 120.69 3kc1 h LEU 30 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kc1 h LEU 30 Cb 0.18 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 3kc1 h LEU 30 CO -0.01 0.29 0.09 0.74 -0.34 0.00 0.00 178.44 179.20 3kc1 h THR 31 N 0.48 1.17 -0.63 1.05 2.02 -1.83 0.09 112.91 115.27 3kc1 h THR 31 Ca 0.17 -0.52 -0.06 0.00 0.77 0.00 0.00 66.41 66.77 3kc1 h THR 31 Cb 0.09 1.09 -0.03 0.00 -1.74 0.00 0.00 68.15 67.56 3kc1 h THR 31 CO -0.04 0.17 0.14 1.56 0.37 0.00 0.00 175.52 177.72 3kc1 h GLN 32 N 0.22 1.01 -0.10 6.66 1.08 -0.60 -0.26 115.11 123.11 3kc1 h GLN 32 Ca 0.08 -0.23 -0.00 0.00 -1.45 0.00 0.00 58.65 57.04 3kc1 h GLN 32 Cb 0.19 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3kc1 h GLN 32 CO -0.01 0.90 0.06 1.25 -0.95 0.00 0.00 178.83 180.09 3kc1 h LEU 33 N 0.96 0.13 -0.79 1.46 6.46 -0.49 -0.73 115.31 122.30 3kc1 h LEU 33 Ca 0.20 -0.07 -0.10 0.00 -0.12 0.00 0.00 57.88 57.79 3kc1 h LEU 33 Cb 0.36 -0.03 -0.02 0.00 -0.73 0.00 0.00 40.66 40.24 3kc1 h LEU 33 CO 0.00 0.16 -0.19 -0.07 -0.62 0.00 0.00 178.44 177.73 3kc1 h LEU 34 N 0.08 0.71 -0.38 2.25 3.38 -0.77 -0.36 115.31 120.22 3kc1 h LEU 34 Ca 0.04 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kc1 h LEU 34 Cb 0.06 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 3kc1 h LEU 34 CO -0.01 0.89 0.20 0.78 0.09 0.00 0.00 178.44 180.40 3kc1 h ASN 35 N 0.63 0.48 -0.63 -0.43 -0.26 -0.85 0.61 115.58 115.13 3kc1 h ASN 35 Ca 0.10 -0.10 -0.06 0.00 -0.56 0.00 0.00 56.30 55.68 3kc1 h ASN 35 Cb 0.66 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.77 3kc1 h ASN 35 CO 0.05 0.45 0.17 0.28 -1.06 0.00 0.00 177.43 177.31 3kc1 h SER 36 N 0.48 0.94 -0.61 5.81 0.02 -0.91 -1.67 113.55 117.62 3kc1 h SER 36 Ca 0.13 -0.22 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3kc1 h SER 36 Cb 0.08 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kc1 h SER 36 CO -0.02 0.92 0.17 0.25 -1.14 0.00 0.00 176.83 177.01 3kc1 h LEU 37 N 0.91 0.91 -0.45 5.07 5.85 -0.76 -1.71 115.31 125.13 3kc1 h LEU 37 Ca 0.20 -0.22 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3kc1 h LEU 37 Cb 0.33 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 3kc1 h LEU 37 CO -0.00 0.89 0.21 0.00 -0.34 0.00 0.00 178.44 179.20 3kc1 h THR 39 N 0.42 1.18 -0.72 0.00 2.02 -1.00 -1.93 112.91 112.88 3kc1 h THR 39 Ca 0.20 -0.42 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3kc1 h THR 39 Cb 0.13 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 66.97 3kc1 h THR 39 CO -0.15 0.18 0.39 0.00 0.37 0.00 0.00 175.52 176.31 3kc1 h ALA 40 N 1.14 0.92 -0.90 6.16 0.00 -0.69 -2.07 119.26 123.83 3kc1 h ALA 40 Ca 0.19 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3kc1 h ALA 40 Cb 0.02 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3kc1 h ALA 40 CO -0.03 0.45 0.59 0.28 0.00 0.00 0.00 179.25 180.54 3kc1 h VAL 41 N 0.99 1.23 -0.43 0.00 2.07 -0.61 0.82 116.25 120.33 3kc1 h VAL 41 Ca 0.25 -0.43 -0.07 0.00 0.82 0.00 0.00 66.70 67.27 3kc1 h VAL 41 Cb 0.05 -0.09 -0.02 0.00 -1.52 0.00 0.00 31.29 29.71 3kc1 h VAL 41 CO -0.04 0.23 -0.02 0.11 0.02 0.00 0.00 177.57 177.86 3kc1 h LYS 42 N 1.22 0.71 -0.36 1.57 1.57 -0.97 0.81 116.57 121.13 3kc1 h LYS 42 Ca 0.33 -0.19 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 3kc1 h LYS 42 Cb -0.14 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.08 3kc1 h LYS 42 CO -0.07 0.74 -0.33 0.00 -0.57 0.00 0.00 179.45 179.22 3kc1 h ALA 43 N 1.31 0.52 -0.31 3.86 0.00 -0.66 -1.24 119.26 122.74 3kc1 h ALA 43 Ca 0.13 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 3kc1 h ALA 43 Cb 0.45 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 3kc1 h ALA 43 CO 0.02 0.58 0.10 0.82 0.00 0.00 0.00 179.25 180.77 3kc1 h ILE 44 N 0.65 1.20 -0.36 0.00 2.04 -0.55 -2.20 117.51 118.30 3kc1 h ILE 44 Ca 0.06 -0.64 0.05 0.00 1.00 0.00 0.00 64.86 65.33 3kc1 h ILE 44 Cb 0.91 1.04 -0.05 0.00 -0.74 0.00 0.00 36.82 37.98 3kc1 h ILE 44 CO 0.08 0.22 0.07 -1.28 0.00 0.00 0.00 178.15 177.24 3kc1 h SER 45 N 0.35 0.01 -0.51 1.72 0.87 -0.72 0.21 113.55 115.47 3kc1 h SER 45 Ca 0.10 0.06 0.07 0.00 -1.23 0.00 0.00 61.79 60.79 3kc1 h SER 45 Cb 0.24 0.08 -0.06 0.00 -0.44 0.00 0.00 62.40 62.22 3kc1 h SER 45 CO -0.00 0.04 0.19 -1.28 -0.53 0.00 0.00 176.83 175.25 3kc1 h SER 46 N 0.19 0.21 -0.30 6.23 0.87 -1.03 -0.54 113.55 119.19 3kc1 h SER 46 Ca 0.17 0.06 -0.15 0.00 -1.23 0.00 0.00 61.79 60.64 3kc1 h SER 46 Cb 0.20 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 3kc1 h SER 46 CO -0.23 0.15 -0.38 0.00 -0.53 0.00 0.00 176.83 175.84 3kc1 h ALA 47 N 1.34 0.66 -0.83 6.23 0.00 -0.81 -2.61 119.26 123.22 3kc1 h ALA 47 Ca 0.25 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.69 3kc1 h ALA 47 Cb 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 3kc1 h ALA 47 CO -0.24 0.67 0.44 0.28 0.00 0.00 0.00 179.25 180.40 3kc1 h VAL 48 N 0.69 1.25 0.00 0.00 2.07 -0.03 0.01 116.25 120.24 3kc1 h VAL 48 Ca 0.06 -0.65 0.00 0.00 0.82 0.00 0.00 66.70 66.93 3kc1 h VAL 48 Cb 0.95 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 3kc1 h VAL 48 CO 0.09 0.29 0.00 0.54 0.02 0.00 0.00 177.57 178.51 3kc1 n ARG 49 N -4.37 0.66 -2.66 1.57 3.00 -0.26 -4.87 116.66 109.73 3kc1 n ARG 49 Ca 0.08 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.79 3kc1 n ARG 49 Cb 0.11 -1.31 0.02 0.00 0.00 0.00 0.00 32.46 31.28 3kc1 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kc1 n LYS 50 N -0.81 -2.77 -1.98 5.56 4.76 -0.01 -4.98 118.16 117.92 3kc1 n LYS 50 Ca 0.10 0.57 -0.42 0.00 -2.87 0.00 0.00 58.31 55.70 3kc1 n LYS 50 Cb 0.05 -4.72 -0.02 0.00 -1.84 0.00 0.00 35.03 28.49 3kc1 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc1 s ALA 51 N -2.89 3.67 0.00 7.82 0.00 -0.99 -2.08 121.76 127.29 3kc1 s ALA 51 Ca 0.16 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.47 3kc1 s ALA 51 Cb -0.07 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.47 3kc1 s ALA 51 CO 0.20 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.61 3kc1 n GLY 52 N 2.67 0.85 0.32 0.00 0.00 -1.26 -4.85 105.19 102.92 3kc1 n GLY 52 Ca 0.09 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.27 3kc1 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc1 h ILE 53 N 0.00 0.56 -0.70 -0.61 2.10 -1.82 -1.02 117.51 116.02 3kc1 h ILE 53 Ca 0.00 0.00 0.05 0.00 1.08 0.00 0.00 64.86 65.99 3kc1 h ILE 53 Cb 0.00 0.88 -0.04 0.00 -1.09 0.00 0.00 36.82 36.57 3kc1 h ILE 53 CO 0.00 0.00 0.46 0.00 -1.08 0.00 0.00 178.15 177.53 3kc1 h ALA 54 N 1.84 1.65 -0.03 0.18 0.00 -1.90 -0.65 119.26 120.35 3kc1 h ALA 54 Ca 0.07 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 3kc1 h ALA 54 Cb 0.36 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3kc1 h ALA 54 CO -0.00 0.26 -0.36 0.45 0.00 0.00 0.00 179.25 179.60 3kc1 h HIS 55 N 0.79 0.06 0.00 0.00 3.86 -1.59 -2.17 115.15 116.10 3kc1 h HIS 55 Ca 0.29 -0.01 -0.09 0.00 -1.16 0.00 0.00 60.37 59.40 3kc1 h HIS 55 Cb 0.14 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.58 3kc1 h HIS 55 CO -0.00 0.40 -0.42 1.25 0.86 0.00 0.00 177.93 180.03 3kc1 h LEU 56 N 0.04 0.00 -3.04 2.43 5.85 -1.19 -3.03 115.31 116.38 3kc1 h LEU 56 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3kc1 h LEU 56 Cb 0.65 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.68 3kc1 h LEU 56 CO 0.05 0.42 0.00 -1.22 -0.34 0.00 0.00 178.44 177.35 3kc1 n TYR 57 N -3.65 1.65 -1.27 1.25 4.02 -0.87 -4.95 117.16 113.35 3kc1 n TYR 57 Ca -0.01 -0.58 0.00 0.00 -0.01 0.00 0.00 57.90 57.30 3kc1 n TYR 57 Cb 0.51 -0.40 0.00 0.00 -0.02 0.00 0.00 39.34 39.43 3kc1 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc1 n GLY 58 N 0.63 0.47 0.27 2.72 0.00 -1.14 -4.96 105.19 103.17 3kc1 n GLY 58 Ca 0.23 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.43 3kc1 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc1 h ILE 59 N 0.00 0.83 -0.45 -0.61 2.10 -1.63 -1.30 117.51 116.45 3kc1 h ILE 59 Ca 0.00 -0.16 0.00 0.00 1.08 0.00 0.00 64.86 65.78 3kc1 h ILE 59 Cb 0.36 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 37.18 3kc1 h ILE 59 CO 0.00 0.04 0.00 0.00 -1.08 0.00 0.00 178.15 177.11 3kc1 n ALA 60 N -2.44 2.85 -0.20 0.18 0.00 -1.26 -5.07 120.51 114.57 3kc1 n ALA 60 Ca -0.03 -1.71 0.00 0.00 0.00 0.00 0.00 53.44 51.70 3kc1 n ALA 60 Cb 0.13 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.81 3kc1 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc1 n GLY 61 N 0.44 0.65 0.00 0.00 0.00 -0.49 -5.21 105.19 100.58 3kc1 n GLY 61 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3kc1 n GLY 61 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3kc1 n VAL 70 N -2.03 0.00 -1.53 1.61 0.24 -1.26 -4.74 118.33 110.61 3kc1 n VAL 70 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.34 61.99 3kc1 n VAL 70 Cb 0.00 0.00 0.06 0.00 -1.47 0.00 0.00 33.84 32.43 3kc1 n VAL 70 CO 0.00 0.00 0.00 -1.59 -2.14 0.00 0.00 176.83 173.10 3kc1 s LYS 71 N 0.00 2.76 0.58 7.34 -2.85 -1.26 -4.98 119.74 121.32 3kc1 s LYS 71 Ca 0.00 1.07 -0.20 0.00 -1.00 0.00 0.00 55.97 55.85 3kc1 s LYS 71 Cb 0.00 -1.96 -0.04 0.00 -2.06 0.00 0.00 37.83 33.77 3kc1 s LYS 71 CO 0.00 -1.25 1.26 0.15 0.10 0.00 0.00 175.35 175.61 3kc1 s LYS 72 N -4.84 3.00 0.26 1.78 3.01 -1.26 -4.82 119.74 116.88 3kc1 s LYS 72 Ca 0.60 1.98 -0.04 0.00 -1.01 0.00 0.00 55.97 57.50 3kc1 s LYS 72 Cb -0.16 -2.04 0.33 0.00 -1.01 0.00 0.00 37.83 34.95 3kc1 s LYS 72 CO 0.53 -1.22 1.86 -0.07 0.51 0.00 0.00 175.35 176.96 3kc1 h LEU 73 N 1.07 0.96 -0.85 3.17 3.38 -1.99 -0.66 115.31 120.40 3kc1 h LEU 73 Ca -0.51 -0.11 -0.04 0.00 0.09 0.00 0.00 57.88 57.31 3kc1 h LEU 73 Cb 1.30 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 3kc1 h LEU 73 CO 0.56 0.81 0.30 -2.24 0.09 0.00 0.00 178.44 177.96 3kc1 h ASP 74 N 1.06 1.05 -0.19 -0.43 -0.00 -1.92 0.76 116.42 116.76 3kc1 h ASP 74 Ca 0.26 -0.16 -0.04 0.00 -0.00 0.00 0.00 57.03 57.09 3kc1 h ASP 74 Cb 0.10 -0.27 -0.01 0.00 -0.00 0.00 0.00 39.33 39.15 3kc1 h ASP 74 CO -0.03 0.94 -0.03 0.58 -0.00 0.00 0.00 179.24 180.69 3kc1 h VAL 75 N 1.11 1.28 -0.58 4.15 2.07 -1.84 -1.81 116.25 120.62 3kc1 h VAL 75 Ca 0.26 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.80 3kc1 h VAL 75 Cb 0.22 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3kc1 h VAL 75 CO -0.02 0.29 0.37 0.25 0.02 0.00 0.00 177.57 178.49 3kc1 h LEU 76 N 0.07 0.68 -0.59 2.57 5.85 -0.89 -0.87 115.31 122.13 3kc1 h LEU 76 Ca 0.05 -0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.73 3kc1 h LEU 76 Cb 0.46 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 3kc1 h LEU 76 CO 0.02 0.51 0.35 0.28 -0.34 0.00 0.00 178.44 179.26 3kc1 h SER 77 N 0.79 0.70 -0.55 1.25 0.02 -0.77 -0.00 113.55 114.98 3kc1 h SER 77 Ca 0.21 -0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 3kc1 h SER 77 Cb -0.07 -0.18 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 3kc1 h SER 77 CO -0.04 0.55 0.30 -1.13 -1.14 0.00 0.00 176.83 175.37 3kc1 h ASN 78 N 0.79 0.69 -0.72 3.07 -0.00 -0.96 -1.67 115.58 116.79 3kc1 h ASN 78 Ca 0.21 -0.09 -0.00 0.00 -0.00 0.00 0.00 56.30 56.41 3kc1 h ASN 78 Cb -0.02 -0.18 -0.03 0.00 -0.00 0.00 0.00 38.32 38.09 3kc1 h ASN 78 CO -0.04 0.59 0.44 0.44 -0.00 0.00 0.00 177.43 178.86 3kc1 h ASP 79 N 0.74 0.86 -0.03 1.15 3.32 -0.63 0.06 116.42 121.90 3kc1 h ASP 79 Ca 0.19 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 57.19 3kc1 h ASP 79 Cb 0.05 -0.22 -0.00 0.00 0.22 0.00 0.00 39.33 39.38 3kc1 h ASP 79 CO -0.03 0.66 0.01 -0.07 -1.72 0.00 0.00 179.24 178.09 3kc1 h LEU 80 N 0.98 0.03 -0.07 1.55 3.38 -0.69 -0.54 115.31 119.96 3kc1 h LEU 80 Ca 0.26 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 58.10 3kc1 h LEU 80 Cb -0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3kc1 h LEU 80 CO -0.05 0.15 0.02 0.58 0.09 0.00 0.00 178.44 179.23 3kc1 h VAL 81 N -0.08 1.19 -0.03 1.22 2.07 -1.16 -1.29 116.25 118.16 3kc1 h VAL 81 Ca 0.01 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3kc1 h VAL 81 Cb 0.12 1.46 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 3kc1 h VAL 81 CO -0.00 0.16 -0.20 0.24 0.02 0.00 0.00 177.57 177.80 3kc1 h MET 82 N -0.10 -0.29 -0.39 1.57 2.86 -0.97 0.12 114.93 117.72 3kc1 h MET 82 Ca 0.02 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 3kc1 h MET 82 Cb 0.25 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.95 3kc1 h MET 82 CO 0.00 -0.19 0.20 -0.97 1.06 0.00 0.00 176.91 177.01 3kc1 h ASN 83 N -0.30 0.51 -0.51 1.22 -1.24 -1.08 -0.59 115.58 113.59 3kc1 h ASN 83 Ca 0.07 -0.11 -0.07 0.00 0.71 0.00 0.00 56.30 56.90 3kc1 h ASN 83 Cb 0.39 -0.13 -0.02 0.00 0.73 0.00 0.00 38.32 39.29 3kc1 h ASN 83 CO -0.21 0.48 0.06 0.24 -1.29 0.00 0.00 177.43 176.71 3kc1 h MET 84 N 0.50 0.86 -0.38 6.67 2.86 -1.08 -1.19 114.93 123.17 3kc1 h MET 84 Ca 0.14 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.49 3kc1 h MET 84 Cb 0.10 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.65 3kc1 h MET 84 CO -0.02 0.86 0.08 -0.07 1.06 0.00 0.00 176.91 178.82 3kc1 h LEU 85 N 0.73 0.58 -0.26 1.22 3.38 -0.85 -2.15 115.31 117.97 3kc1 h LEU 85 Ca 0.15 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kc1 h LEU 85 Cb 0.43 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3kc1 h LEU 85 CO 0.01 0.68 0.17 0.11 0.09 0.00 0.00 178.44 179.50 3kc1 h LYS 86 N 0.46 0.34 0.00 1.13 1.57 -1.01 -2.13 116.57 116.92 3kc1 h LYS 86 Ca 0.12 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 3kc1 h LYS 86 Cb 0.33 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.57 3kc1 h LYS 86 CO 0.00 0.22 0.00 -1.13 -0.57 0.00 0.00 179.45 177.98 3kc1 n SER 87 N -4.91 0.00 0.19 0.86 3.41 -0.46 -2.41 113.62 110.29 3kc1 n SER 87 Ca -0.02 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.00 3kc1 n SER 87 Cb 0.03 -0.38 0.29 0.00 -0.26 0.00 0.00 64.21 63.89 3kc1 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kc1 h SER 88 N 0.00 0.00 -0.45 4.04 4.64 -0.70 -3.47 113.55 117.62 3kc1 h SER 88 Ca 0.00 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.13 3kc1 h SER 88 Cb 0.16 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.18 3kc1 h SER 88 CO 0.00 0.00 -0.18 0.49 -0.87 0.00 0.00 176.83 176.27 3kc1 n PHE 89 N -2.81 0.00 0.43 4.77 3.01 -1.01 -4.75 117.46 117.09 3kc1 n PHE 89 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.55 3kc1 n PHE 89 Cb 0.47 -2.17 0.03 0.00 -0.01 0.00 0.00 39.48 37.80 3kc1 n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kc1 n ALA 90 N 1.18 2.60 -2.47 4.37 0.00 -1.26 -3.28 120.51 121.65 3kc1 n ALA 90 Ca -0.09 -0.53 -0.23 0.00 0.00 0.00 0.00 53.44 52.58 3kc1 n ALA 90 Cb 0.44 -0.35 -0.10 0.00 0.00 0.00 0.00 19.45 19.44 3kc1 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kc1 s THR 91 N -1.03 2.17 0.00 0.00 -4.23 -1.26 -0.77 115.64 110.52 3kc1 s THR 91 Ca 0.11 -2.28 0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3kc1 s THR 91 Cb 0.08 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.53 3kc1 s THR 91 CO 0.17 -0.35 0.00 0.00 -0.54 0.00 0.00 174.62 173.90 3kc1 s VAL 93 N -1.16 0.30 -0.15 0.00 1.01 -1.25 -1.12 120.40 118.02 3kc1 s VAL 93 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.04 3kc1 s VAL 93 Cb 0.00 -0.39 0.02 0.00 0.00 0.00 0.00 36.38 36.01 3kc1 s VAL 93 CO 0.00 0.19 -0.14 -0.76 0.00 0.00 0.00 175.10 174.39 3kc1 s LEU 94 N 1.25 1.70 -0.19 3.92 1.43 0.59 -1.74 118.68 125.62 3kc1 s LEU 94 Ca -0.06 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.51 3kc1 s LEU 94 Cb -0.13 -1.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.89 3kc1 s LEU 94 CO -0.02 -0.06 -0.05 -0.69 0.23 0.00 0.00 176.35 175.76 3kc1 s VAL 95 N 1.49 3.46 0.17 -1.59 1.01 -0.20 -0.34 120.40 124.39 3kc1 s VAL 95 Ca 0.05 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.58 3kc1 s VAL 95 Cb -0.13 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 3kc1 s VAL 95 CO -0.11 0.45 -0.05 -0.55 0.00 0.00 0.00 175.10 174.84 3kc1 s SER 96 N 1.06 1.59 0.39 3.32 0.15 -1.26 -0.36 113.70 118.59 3kc1 s SER 96 Ca 0.01 -1.10 0.19 0.00 0.70 0.00 0.00 55.95 55.75 3kc1 s SER 96 Cb -0.15 0.04 0.76 0.00 -1.71 0.00 0.00 66.02 64.96 3kc1 s SER 96 CO -0.00 -0.44 1.78 -0.08 1.20 0.00 0.00 173.24 175.69 3kc1 h GLU 97 N 2.71 0.00 -0.09 5.44 4.81 -1.98 -3.27 114.58 122.20 3kc1 h GLU 97 Ca -0.37 0.00 0.04 0.00 -0.13 0.00 0.00 59.36 58.90 3kc1 h GLU 97 Cb 1.20 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.52 3kc1 h GLU 97 CO 0.64 0.35 -0.28 1.49 -0.73 0.00 0.00 179.01 180.48 3kc1 h GLU 98 N 0.00 -0.36 -5.21 1.92 4.22 -1.96 -3.40 114.58 109.79 3kc1 h GLU 98 Ca -0.00 0.02 -0.61 0.00 0.08 0.00 0.00 59.36 58.85 3kc1 h GLU 98 Cb 0.81 0.08 -0.13 0.00 0.50 0.00 0.00 28.75 30.01 3kc1 h GLU 98 CO 0.05 -0.24 -0.38 0.34 -2.18 0.00 0.00 179.01 176.60 3kc1 s ASP 99 N -4.93 6.24 0.33 1.04 -1.08 -1.23 -4.96 116.67 112.07 3kc1 s ASP 99 Ca -0.15 0.27 0.09 0.00 -0.52 0.00 0.00 52.55 52.23 3kc1 s ASP 99 Cb 0.10 -2.16 0.82 0.00 -1.46 0.00 0.00 42.92 40.23 3kc1 s ASP 99 CO 0.66 0.00 1.78 0.50 0.52 0.00 0.00 175.17 178.63 3kc1 h LYS 100 N 7.50 0.66 -6.17 4.34 1.63 -1.85 -3.42 116.57 119.25 3kc1 h LYS 100 Ca -0.37 -0.04 -0.55 0.00 -0.85 0.00 0.00 60.65 58.84 3kc1 h LYS 100 Cb 1.17 -0.15 -0.05 0.00 -0.60 0.00 0.00 32.23 32.59 3kc1 h LYS 100 CO 0.68 0.44 -0.53 -1.01 -3.45 0.00 0.00 179.45 175.57 3kc1 s HIS 101 N -5.77 3.22 0.38 1.91 3.76 -1.26 -4.94 115.29 112.58 3kc1 s HIS 101 Ca -0.11 -0.01 -0.27 0.00 -0.15 0.00 0.00 55.06 54.53 3kc1 s HIS 101 Cb 0.25 -1.52 -0.09 0.00 1.11 0.00 0.00 32.58 32.33 3kc1 s HIS 101 CO 0.80 0.51 1.25 0.00 -0.85 0.00 0.00 174.74 176.46 3kc1 s ALA 102 N -1.83 3.30 -0.11 -1.40 0.00 -1.26 -4.85 121.76 115.61 3kc1 s ALA 102 Ca 0.32 1.14 -0.19 0.00 0.00 0.00 0.00 51.96 53.23 3kc1 s ALA 102 Cb -0.10 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.54 3kc1 s ALA 102 CO 0.25 -0.65 0.53 0.42 0.00 0.00 0.00 175.76 176.31 3kc1 s ILE 103 N -1.26 5.15 -0.27 0.00 1.09 0.54 -4.90 121.20 121.56 3kc1 s ILE 103 Ca 0.54 1.07 -0.10 0.00 -1.10 0.00 0.00 60.65 61.06 3kc1 s ILE 103 Cb -0.36 -3.87 -0.04 0.00 -1.06 0.00 0.00 42.46 37.13 3kc1 s ILE 103 CO 0.47 0.31 0.15 -0.63 -0.10 0.00 0.00 174.94 175.13 3kc1 s ILE 104 N 0.65 4.95 0.31 2.92 -1.09 -1.26 -0.30 121.20 127.38 3kc1 s ILE 104 Ca 0.29 0.05 -0.29 0.00 -2.23 0.00 0.00 60.65 58.46 3kc1 s ILE 104 Cb -0.16 -3.34 -0.10 0.00 -1.58 0.00 0.00 42.46 37.28 3kc1 s ILE 104 CO 0.12 0.29 1.36 -0.69 -1.23 0.00 0.00 174.94 174.79 3kc1 s VAL 105 N 1.68 2.65 0.47 2.92 1.01 -0.28 -4.95 120.40 123.90 3kc1 s VAL 105 Ca 0.07 0.62 -0.24 0.00 0.00 0.00 0.00 61.98 62.42 3kc1 s VAL 105 Cb -0.16 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 3kc1 s VAL 105 CO 0.08 0.13 1.35 -1.84 0.00 0.00 0.00 175.10 174.83 3kc1 n GLU 106 N 1.27 1.99 -0.32 2.72 0.28 -1.26 -4.78 120.64 120.55 3kc1 n GLU 106 Ca 0.02 0.71 0.18 0.00 -0.16 0.00 0.00 57.16 57.91 3kc1 n GLU 106 Cb 0.41 -2.53 0.37 0.00 1.43 0.00 0.00 31.44 31.12 3kc1 n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3kc1 h PRO 107 N 1.99 0.23 0.00 3.44 0.13 -1.99 -1.35 132.00 134.45 3kc1 h PRO 107 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3kc1 h PRO 107 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3kc1 h PRO 107 CO 0.59 0.15 0.00 0.39 -0.23 0.00 0.00 178.00 178.91 3kc1 n GLU 108 N -5.17 0.33 -0.06 0.86 1.02 -1.26 -2.82 120.64 113.54 3kc1 n GLU 108 Ca 0.26 0.09 0.01 0.00 -0.02 0.00 0.00 57.16 57.50 3kc1 n GLU 108 Cb 0.82 -1.50 0.01 0.00 -0.02 0.00 0.00 31.44 30.75 3kc1 n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kc1 n LYS 109 N -1.18 1.36 -2.40 3.49 5.02 -0.52 -5.06 118.16 118.87 3kc1 n LYS 109 Ca 0.09 -1.17 -0.41 0.00 -2.02 0.00 0.00 58.31 54.80 3kc1 n LYS 109 Cb 0.10 -0.81 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 3kc1 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kc1 s ARG 110 N -0.71 4.56 0.46 1.97 0.52 -1.13 -3.96 118.95 120.67 3kc1 s ARG 110 Ca 0.03 1.88 0.03 0.00 -0.52 0.00 0.00 55.73 57.15 3kc1 s ARG 110 Cb 0.03 -3.19 -0.01 0.00 0.52 0.00 0.00 34.95 32.30 3kc1 s ARG 110 CO 0.00 0.07 0.09 0.20 0.02 0.00 0.00 175.30 175.68 3kc1 s GLY 111 N -0.51 2.86 0.00 -3.53 0.00 0.19 -4.71 107.32 101.62 3kc1 s GLY 111 Ca 0.48 -0.76 0.25 0.00 0.00 0.00 0.00 44.72 44.69 3kc1 s GLY 111 CO 0.41 -1.97 1.78 0.58 0.00 0.00 0.00 173.10 173.90 3kc1 n LYS 112 N -1.08 1.43 -4.02 2.90 2.85 -1.12 -3.47 118.16 115.65 3kc1 n LYS 112 Ca -0.12 -0.63 -0.28 0.00 -1.05 0.00 0.00 58.31 56.23 3kc1 n LYS 112 Cb 0.65 -1.42 -0.05 0.00 -0.65 0.00 0.00 35.03 33.56 3kc1 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kc1 s TYR 113 N -1.94 3.29 -0.12 5.58 2.02 0.05 -0.60 117.35 125.64 3kc1 s TYR 113 Ca 0.36 0.08 0.01 0.00 -0.37 0.00 0.00 57.07 57.15 3kc1 s TYR 113 Cb 0.19 -1.61 -0.01 0.00 -0.40 0.00 0.00 41.96 40.12 3kc1 s TYR 113 CO 0.30 0.53 -0.16 0.08 -1.57 0.00 0.00 175.55 174.73 3kc1 s VAL 114 N -1.62 2.79 -0.09 0.71 1.01 0.24 -1.15 120.40 122.28 3kc1 s VAL 114 Ca 0.32 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.56 3kc1 s VAL 114 Cb -0.11 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.14 3kc1 s VAL 114 CO 0.25 0.54 -0.18 -0.69 0.00 0.00 0.00 175.10 175.02 3kc1 s VAL 115 N 0.26 1.61 -0.15 2.92 1.01 -0.71 -0.18 120.40 125.16 3kc1 s VAL 115 Ca -0.11 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3kc1 s VAL 115 Cb -0.16 -1.43 -0.02 0.00 0.00 0.00 0.00 36.38 34.77 3kc1 s VAL 115 CO 0.06 0.46 -0.10 0.00 0.00 0.00 0.00 175.10 175.52 3kc1 s PHE 117 N 0.52 0.08 -0.34 0.00 -0.71 0.52 -0.36 117.98 117.69 3kc1 s PHE 117 Ca -0.07 -0.45 0.03 0.00 -1.04 0.00 0.00 56.93 55.41 3kc1 s PHE 117 Cb -0.15 0.10 0.10 0.00 -1.21 0.00 0.00 43.02 41.85 3kc1 s PHE 117 CO 0.04 -0.69 0.05 0.34 -1.34 0.00 0.00 175.22 173.61 3kc1 s ASP 118 N -2.88 4.79 0.25 1.98 3.68 -0.05 -3.66 116.67 120.78 3kc1 s ASP 118 Ca 0.08 -2.09 -0.04 0.00 2.13 0.00 0.00 52.55 52.64 3kc1 s ASP 118 Cb 0.03 -1.64 0.46 0.00 -1.45 0.00 0.00 42.92 40.32 3kc1 s ASP 118 CO -0.07 -0.38 1.75 1.55 0.13 0.00 0.00 175.17 178.15 3kc1 h PRO 119 N 7.66 0.52 -2.00 4.34 0.13 -1.88 -2.17 132.00 138.61 3kc1 h PRO 119 Ca -0.06 -0.03 -0.43 0.00 -0.87 0.00 0.00 66.00 64.61 3kc1 h PRO 119 Cb 1.02 -0.12 -0.32 0.00 0.13 0.00 0.00 31.00 31.72 3kc1 h PRO 119 CO 0.53 0.35 -0.77 -1.17 -0.23 0.00 0.00 178.00 176.70 3kc1 s LEU 120 N -10.39 0.32 0.18 1.56 2.96 -1.25 -4.38 118.68 107.68 3kc1 s LEU 120 Ca -0.12 -2.20 -0.31 0.00 -0.22 0.00 0.00 54.13 51.28 3kc1 s LEU 120 Cb 0.20 0.34 -0.09 0.00 0.50 0.00 0.00 46.19 47.15 3kc1 s LEU 120 CO 0.77 -0.20 1.41 -0.62 -1.32 0.00 0.00 176.35 176.39 3kc1 s ASP 121 N 0.81 6.77 0.00 3.68 2.15 0.15 -2.86 116.67 127.37 3kc1 s ASP 121 Ca 0.25 2.47 0.00 0.00 0.43 0.00 0.00 52.55 55.70 3kc1 s ASP 121 Cb -0.07 -2.60 0.00 0.00 -0.30 0.00 0.00 42.92 39.95 3kc1 s ASP 121 CO -0.09 -0.65 0.00 0.61 -0.17 0.00 0.00 175.17 174.87 3kc1 n GLY 122 N 2.92 0.66 0.28 2.66 0.00 -1.26 -2.34 105.19 108.11 3kc1 n GLY 122 Ca 0.09 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.30 3kc1 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc1 h SER 123 N 0.00 0.00 -0.89 1.61 4.64 -1.89 -3.11 113.55 113.91 3kc1 h SER 123 Ca 0.00 0.00 0.16 0.00 -0.47 0.00 0.00 61.79 61.48 3kc1 h SER 123 Cb 0.00 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 61.99 3kc1 h SER 123 CO 0.00 0.00 0.48 -1.28 -0.87 0.00 0.00 176.83 175.16 3kc1 h SER 124 N 0.00 0.59 -1.67 4.97 0.87 -1.92 -2.10 113.55 114.30 3kc1 h SER 124 Ca 0.00 0.09 -0.63 0.00 -1.23 0.00 0.00 61.79 60.03 3kc1 h SER 124 Cb 0.32 -0.00 -0.39 0.00 -0.44 0.00 0.00 62.40 61.89 3kc1 h SER 124 CO 0.00 0.23 -0.35 0.59 -0.53 0.00 0.00 176.83 176.77 3kc1 n ASN 125 N -4.85 5.28 0.16 6.23 5.03 -1.17 -4.80 115.26 121.14 3kc1 n ASN 125 Ca 0.19 -3.74 0.12 0.00 0.87 0.00 0.00 54.58 52.02 3kc1 n ASN 125 Cb 0.48 -0.59 0.22 0.00 -1.02 0.00 0.00 39.78 38.86 3kc1 n ASN 125 CO 0.00 0.00 0.00 -0.29 -1.83 0.00 0.00 177.26 175.14 3kc1 h ILE 126 N 2.49 0.00 0.00 2.41 2.10 -1.49 -3.31 117.51 119.70 3kc1 h ILE 126 Ca 0.34 -0.80 -0.00 0.00 1.08 0.00 0.00 64.86 65.48 3kc1 h ILE 126 Cb 0.71 1.70 -0.00 0.00 -1.09 0.00 0.00 36.82 38.14 3kc1 h ILE 126 CO 0.97 0.00 -0.02 0.44 -1.08 0.00 0.00 178.15 178.46 3kc1 h ASP 127 N 0.00 0.00 -0.24 2.19 3.32 -1.87 -1.24 116.42 118.59 3kc1 h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kc1 h ASP 127 Cb 0.90 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.45 3kc1 h ASP 127 CO 0.00 0.02 0.00 0.00 -1.72 0.00 0.00 179.24 177.54 3kc1 n LEU 129 N 0.36 -1.57 -4.75 0.00 4.77 -0.47 -4.96 117.00 110.37 3kc1 n LEU 129 Ca 0.14 0.19 -0.35 0.00 -0.03 0.00 0.00 56.01 55.96 3kc1 n LEU 129 Cb 0.30 -2.55 0.04 0.00 -2.33 0.00 0.00 43.42 38.88 3kc1 n LEU 129 CO 0.11 -0.53 0.81 0.54 -1.33 0.00 0.00 177.39 176.99 3kc1 s VAL 130 N -2.78 2.75 0.39 4.08 0.11 -1.26 -4.93 120.40 118.76 3kc1 s VAL 130 Ca 0.00 0.43 -0.27 0.00 -2.93 0.00 0.00 61.98 59.21 3kc1 s VAL 130 Cb 0.00 -3.10 -0.11 0.00 -1.53 0.00 0.00 36.38 31.64 3kc1 s VAL 130 CO 0.00 -0.13 1.35 -1.20 -3.33 0.00 0.00 175.10 171.79 3kc1 n SER 131 N -1.84 3.04 -4.33 3.54 7.64 -1.26 -4.91 113.62 115.50 3kc1 n SER 131 Ca 0.13 1.18 -0.20 0.00 1.01 0.00 0.00 58.87 60.98 3kc1 n SER 131 Cb 0.50 -1.54 -0.10 0.00 -1.01 0.00 0.00 64.21 62.06 3kc1 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kc1 s VAL 132 N -1.14 0.84 0.26 0.44 -7.23 -1.19 -4.77 120.40 107.61 3kc1 s VAL 132 Ca 0.57 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.54 3kc1 s VAL 132 Cb -0.51 -2.66 0.06 0.00 0.56 0.00 0.00 36.38 33.83 3kc1 s VAL 132 CO 0.61 0.00 0.93 -0.83 -0.31 0.00 0.00 175.10 175.50 3kc1 s GLY 133 N -3.44 0.16 -0.09 2.32 0.00 -0.99 -0.18 107.32 105.10 3kc1 s GLY 133 Ca 0.35 -0.44 0.04 0.00 0.00 0.00 0.00 44.72 44.67 3kc1 s GLY 133 CO 0.15 1.08 -0.23 -1.59 0.00 0.00 0.00 173.10 172.52 3kc1 s THR 134 N -2.41 1.94 -0.01 0.90 2.01 0.29 0.34 115.64 118.70 3kc1 s THR 134 Ca 0.18 -0.96 0.06 0.00 0.31 0.00 0.00 61.69 61.28 3kc1 s THR 134 Cb -0.04 -1.68 -0.03 0.00 0.01 0.00 0.00 72.50 70.77 3kc1 s THR 134 CO 0.07 0.54 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.73 3kc1 s ILE 135 N 0.28 2.77 -0.01 1.82 1.01 -0.81 -0.10 121.20 126.16 3kc1 s ILE 135 Ca -0.16 -0.95 -0.13 0.00 0.00 0.00 0.00 60.65 59.42 3kc1 s ILE 135 Cb -0.17 -2.09 0.02 0.00 0.01 0.00 0.00 42.46 40.23 3kc1 s ILE 135 CO 0.07 0.51 0.26 0.72 0.00 0.00 0.00 174.94 176.50 3kc1 s PHE 136 N -0.77 -0.11 -0.02 3.97 -0.12 -0.53 -0.88 117.98 119.52 3kc1 s PHE 136 Ca 0.12 0.14 0.00 0.00 -0.05 0.00 0.00 56.93 57.15 3kc1 s PHE 136 Cb -0.10 0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.37 3kc1 s PHE 136 CO 0.02 -0.36 0.02 0.20 -0.05 0.00 0.00 175.22 175.04 3kc1 s GLY 137 N -1.36 0.12 -0.13 1.99 0.00 0.51 -1.70 107.32 106.75 3kc1 s GLY 137 Ca -0.14 0.24 0.02 0.00 0.00 0.00 0.00 44.72 44.84 3kc1 s GLY 137 CO 0.03 0.60 -0.18 -0.42 0.00 0.00 0.00 173.10 173.13 3kc1 s ILE 138 N 0.95 2.49 0.17 0.90 1.01 0.56 -0.92 121.20 126.37 3kc1 s ILE 138 Ca -0.08 -0.85 0.10 0.00 0.00 0.00 0.00 60.65 59.82 3kc1 s ILE 138 Cb -0.12 -2.02 -0.04 0.00 0.01 0.00 0.00 42.46 40.29 3kc1 s ILE 138 CO -0.02 0.53 -0.22 -0.31 0.00 0.00 0.00 174.94 174.92 3kc1 s TYR 139 N 0.58 2.12 -0.10 3.97 2.02 0.75 -1.22 117.35 125.46 3kc1 s TYR 139 Ca -0.11 -0.40 -0.17 0.00 -0.37 0.00 0.00 57.07 56.03 3kc1 s TYR 139 Cb -0.16 -1.07 -0.05 0.00 -0.40 0.00 0.00 41.96 40.28 3kc1 s TYR 139 CO 0.03 0.42 0.43 0.50 -1.57 0.00 0.00 175.55 175.36 3kc1 s ARG 140 N -2.60 4.25 0.21 -0.62 3.52 -1.26 0.80 118.95 123.24 3kc1 s ARG 140 Ca 0.18 0.37 -0.32 0.00 -0.13 0.00 0.00 55.73 55.83 3kc1 s ARG 140 Cb -0.08 -3.39 -0.13 0.00 -1.56 0.00 0.00 34.95 29.79 3kc1 s ARG 140 CO 0.08 0.27 1.63 1.17 -0.81 0.00 0.00 175.30 177.65 3kc1 n LYS 141 N 3.31 2.51 -0.12 5.12 4.81 0.23 -4.85 118.16 129.17 3kc1 n LYS 141 Ca -0.09 0.90 -0.24 0.00 -0.87 0.00 0.00 58.31 58.01 3kc1 n LYS 141 Cb 0.52 -2.70 -0.11 0.00 0.02 0.00 0.00 35.03 32.75 3kc1 n LYS 141 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3kc1 n LYS 142 N 3.35 0.63 -0.65 1.64 4.01 -1.26 -5.00 118.16 120.87 3kc1 n LYS 142 Ca 0.15 0.26 -0.31 0.00 -0.51 0.00 0.00 58.31 57.89 3kc1 n LYS 142 Cb 0.33 -1.55 0.18 0.00 -0.51 0.00 0.00 35.03 33.48 3kc1 n LYS 142 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3kc1 n SER 143 N -3.84 -1.99 -0.04 4.39 2.88 -1.26 -4.94 113.62 108.81 3kc1 n SER 143 Ca -0.47 -0.00 0.02 0.00 -1.33 0.00 0.00 58.87 57.09 3kc1 n SER 143 Cb 0.92 -1.11 -0.01 0.00 -0.75 0.00 0.00 64.21 63.25 3kc1 n SER 143 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3kc1 n THR 144 N -4.37 0.00 -0.67 2.46 -2.24 -1.26 -5.03 114.28 103.17 3kc1 n THR 144 Ca 0.03 -0.42 -0.01 0.00 -2.27 0.00 0.00 64.05 61.37 3kc1 n THR 144 Cb 0.58 1.02 0.01 0.00 -2.10 0.00 0.00 70.33 69.84 3kc1 n THR 144 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3kc1 n ASP 145 N -0.78 -0.75 -4.75 3.42 10.43 -1.26 -5.00 116.55 117.86 3kc1 n ASP 145 Ca 0.01 -0.67 -0.40 0.00 2.57 0.00 0.00 54.79 56.30 3kc1 n ASP 145 Cb 0.08 -0.05 -0.05 0.00 1.84 0.00 0.00 41.12 42.94 3kc1 n ASP 145 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3kc1 s GLU 146 N -3.12 4.73 0.18 -1.24 2.56 -1.26 -4.96 118.70 115.59 3kc1 s GLU 146 Ca 0.03 1.59 -0.33 0.00 0.00 0.00 0.00 54.97 56.27 3kc1 s GLU 146 Cb -0.00 -3.28 -0.14 0.00 2.00 0.00 0.00 34.13 32.71 3kc1 s GLU 146 CO 0.02 0.32 1.43 -0.35 -0.56 0.00 0.00 175.26 176.12 3kc1 n PRO 147 N 1.82 1.83 -4.03 4.30 -0.04 -1.26 -4.98 135.00 132.64 3kc1 n PRO 147 Ca -0.00 0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 63.99 3kc1 n PRO 147 Cb 0.47 -2.33 -0.03 0.00 -0.04 0.00 0.00 33.50 31.56 3kc1 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kc1 s SER 148 N 0.50 0.60 0.46 3.54 1.04 -1.26 -4.99 113.70 113.59 3kc1 s SER 148 Ca 0.75 -1.34 0.17 0.00 0.48 0.00 0.00 55.95 56.01 3kc1 s SER 148 Cb -0.73 0.68 1.13 0.00 0.10 0.00 0.00 66.02 67.20 3kc1 s SER 148 CO 0.45 -1.33 1.98 -0.08 0.98 0.00 0.00 173.24 175.25 3kc1 h GLU 149 N 2.12 0.28 -0.21 4.02 4.81 -1.93 -1.73 114.58 121.94 3kc1 h GLU 149 Ca -0.29 -0.02 0.06 0.00 -0.13 0.00 0.00 59.36 58.99 3kc1 h GLU 149 Cb 1.24 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 3kc1 h GLU 149 CO 0.39 0.19 0.16 -0.22 -0.73 0.00 0.00 179.01 178.80 3kc1 h LYS 150 N 0.29 0.00 0.00 1.92 3.11 -1.97 -1.37 116.57 118.55 3kc1 h LYS 150 Ca 0.28 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.12 3kc1 h LYS 150 Cb 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.92 3kc1 h LYS 150 CO -0.06 0.00 0.00 -0.25 -2.81 0.00 0.00 179.45 176.33 3kc1 n ASP 151 N -4.35 0.63 -0.45 4.20 8.00 -0.65 -1.70 116.55 122.23 3kc1 n ASP 151 Ca 0.02 0.67 0.12 0.00 0.71 0.00 0.00 54.79 56.32 3kc1 n ASP 151 Cb 0.31 -0.80 0.26 0.00 -0.02 0.00 0.00 41.12 40.87 3kc1 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc1 n ALA 152 N -1.76 3.05 -1.97 2.24 0.00 -0.52 -4.50 120.51 117.04 3kc1 n ALA 152 Ca 0.02 -0.52 -0.38 0.00 0.00 0.00 0.00 53.44 52.56 3kc1 n ALA 152 Cb 0.21 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 18.64 3kc1 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc1 n LEU 153 N -0.07 7.70 -4.54 0.00 4.77 -0.69 -4.93 117.00 119.23 3kc1 n LEU 153 Ca 0.13 -4.80 -0.30 0.00 -0.03 0.00 0.00 56.01 51.01 3kc1 n LEU 153 Cb 0.41 -1.31 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 3kc1 n LEU 153 CO 0.24 2.00 -0.45 -1.10 -1.33 0.00 0.00 177.39 176.75 3kc1 s GLN 154 N -1.65 2.04 0.53 3.23 -0.21 -1.26 -4.64 119.66 117.70 3kc1 s GLN 154 Ca 0.53 -1.05 -0.20 0.00 0.02 0.00 0.00 55.36 54.66 3kc1 s GLN 154 Cb 0.23 -2.25 -0.06 0.00 1.00 0.00 0.00 33.01 31.93 3kc1 s GLN 154 CO -0.13 0.51 1.16 -1.25 -2.12 0.00 0.00 175.29 173.46 3kc1 s PRO 155 N -2.08 3.36 0.66 2.91 0.04 -1.26 -4.70 135.00 133.93 3kc1 s PRO 155 Ca 0.20 1.71 0.34 0.00 0.04 0.00 0.00 61.00 63.29 3kc1 s PRO 155 Cb -0.11 -2.09 1.85 0.00 0.04 0.00 0.00 34.50 34.19 3kc1 s PRO 155 CO 0.12 -0.86 2.06 0.78 0.04 0.00 0.00 177.00 179.13 3kc1 h GLY 156 N 1.34 0.00 2.00 0.56 0.00 -1.53 -0.34 103.07 105.10 3kc1 h GLY 156 Ca -0.50 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 46.83 3kc1 h GLY 156 CO 0.57 0.00 -0.01 -0.09 0.00 0.00 0.00 176.54 177.01 3kc1 h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.31 -1.65 114.38 125.86 3kc1 h ARG 157 Ca 0.01 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 3kc1 h ARG 157 Cb 0.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.07 3kc1 h ARG 157 CO -0.00 0.01 -0.08 0.09 2.80 0.00 0.00 179.97 182.79 3kc1 n ASN 158 N -3.55 0.93 -4.71 -3.80 4.13 -0.14 -4.95 115.26 103.16 3kc1 n ASN 158 Ca -0.03 -1.06 -0.42 0.00 1.68 0.00 0.00 54.58 54.75 3kc1 n ASN 158 Cb 0.10 0.01 -0.01 0.00 -1.54 0.00 0.00 39.78 38.34 3kc1 n ASN 158 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 3kc1 n LEU 159 N -0.46 3.77 -0.08 3.41 4.77 -0.62 -4.68 117.00 123.11 3kc1 n LEU 159 Ca 0.17 1.20 -0.06 0.00 -0.03 0.00 0.00 56.01 57.29 3kc1 n LEU 159 Cb 0.30 -1.51 -0.16 0.00 -2.33 0.00 0.00 43.42 39.72 3kc1 n LEU 159 CO 0.21 -0.33 -1.06 1.33 -1.33 0.00 0.00 177.39 176.21 3kc1 n VAL 160 N 0.64 1.15 -3.54 4.08 0.24 -0.36 -4.98 118.33 115.56 3kc1 n VAL 160 Ca 0.05 -0.79 -0.17 0.00 -2.04 0.00 0.00 64.34 61.39 3kc1 n VAL 160 Cb 0.36 -0.40 -0.06 0.00 -1.47 0.00 0.00 33.84 32.27 3kc1 n VAL 160 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3kc1 s ALA 161 N -2.68 -1.78 0.12 2.33 0.00 -1.20 -4.40 121.76 114.15 3kc1 s ALA 161 Ca -0.09 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.05 3kc1 s ALA 161 Cb 0.07 -0.20 0.07 0.00 0.00 0.00 0.00 23.12 23.07 3kc1 s ALA 161 CO 0.84 -0.36 0.76 0.00 0.00 0.00 0.00 175.76 177.00 3kc1 s ALA 162 N -0.95 -1.63 0.00 0.00 0.00 -0.57 -0.32 121.76 118.29 3kc1 s ALA 162 Ca -0.09 0.51 0.00 0.00 0.00 0.00 0.00 51.96 52.38 3kc1 s ALA 162 Cb -0.01 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3kc1 s ALA 162 CO 0.08 -0.81 0.00 0.41 0.00 0.00 0.00 175.76 175.44 3kc1 n GLY 163 N -0.36 -0.52 3.55 0.00 0.00 -0.69 -0.13 105.19 107.05 3kc1 n GLY 163 Ca -0.11 -0.92 -0.09 0.00 0.00 0.00 0.00 46.02 44.89 3kc1 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kc1 s TYR 164 N -3.17 -0.38 -0.12 1.61 -0.85 -0.64 -1.45 117.35 112.35 3kc1 s TYR 164 Ca 0.00 0.14 0.03 0.00 -0.52 0.00 0.00 57.07 56.72 3kc1 s TYR 164 Cb 0.00 0.58 0.00 0.00 0.38 0.00 0.00 41.96 42.93 3kc1 s TYR 164 CO 0.00 -0.81 -0.21 0.00 -1.52 0.00 0.00 175.55 173.01 3kc1 s ALA 165 N -3.52 2.29 -0.22 9.51 0.00 0.85 -0.26 121.76 130.41 3kc1 s ALA 165 Ca 0.05 -1.01 -0.07 0.00 0.00 0.00 0.00 51.96 50.93 3kc1 s ALA 165 Cb -0.02 -0.97 -0.03 0.00 0.00 0.00 0.00 23.12 22.11 3kc1 s ALA 165 CO -0.07 0.15 0.05 -1.17 0.00 0.00 0.00 175.76 174.72 3kc1 s LEU 166 N 0.55 3.47 -1.07 0.00 2.96 0.78 -0.55 118.68 124.82 3kc1 s LEU 166 Ca -0.13 -0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3kc1 s LEU 166 Cb -0.17 -1.91 0.28 0.00 0.50 0.00 0.00 46.19 44.89 3kc1 s LEU 166 CO 0.04 0.03 1.15 -1.22 -1.32 0.00 0.00 176.35 175.03 3kc1 n TYR 167 N 4.48 4.50 0.00 5.38 4.01 0.75 -1.67 117.16 134.60 3kc1 n TYR 167 Ca -0.16 -3.68 0.00 0.00 -0.16 0.00 0.00 57.90 53.90 3kc1 n TYR 167 Cb 0.52 -1.52 0.00 0.00 -0.31 0.00 0.00 39.34 38.03 3kc1 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc1 n GLY 168 N 2.31 2.42 0.37 2.72 0.00 -1.26 -3.20 105.19 108.55 3kc1 n GLY 168 Ca 0.24 -0.91 0.13 0.00 0.00 0.00 0.00 46.02 45.48 3kc1 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc1 h SER 169 N 0.00 0.54 -5.23 1.61 4.64 -1.99 -3.41 113.55 109.70 3kc1 h SER 169 Ca 0.00 0.03 -0.25 0.00 -0.47 0.00 0.00 61.79 61.10 3kc1 h SER 169 Cb 0.00 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 61.86 3kc1 h SER 169 CO 0.00 0.29 -0.63 0.00 -0.87 0.00 0.00 176.83 175.62 3kc1 s ALA 170 N -5.56 1.22 -0.22 5.18 0.00 -1.26 -5.14 121.76 115.98 3kc1 s ALA 170 Ca -0.09 -1.67 -0.10 0.00 0.00 0.00 0.00 51.96 50.11 3kc1 s ALA 170 Cb 0.21 1.11 -0.05 0.00 0.00 0.00 0.00 23.12 24.40 3kc1 s ALA 170 CO 0.78 -0.51 0.13 0.99 0.00 0.00 0.00 175.76 177.14 3kc1 s THR 171 N -4.00 5.19 0.01 0.00 2.01 -1.26 -4.49 115.64 113.10 3kc1 s THR 171 Ca 0.34 0.12 0.04 0.00 0.31 0.00 0.00 61.69 62.49 3kc1 s THR 171 Cb 0.07 -3.39 -0.01 0.00 0.01 0.00 0.00 72.50 69.17 3kc1 s THR 171 CO 0.09 0.39 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.96 3kc1 s MET 172 N 0.82 0.92 -0.20 4.92 -2.45 -0.67 -0.55 119.30 122.09 3kc1 s MET 172 Ca 0.07 -0.57 -0.03 0.00 -1.25 0.00 0.00 55.69 53.90 3kc1 s MET 172 Cb -0.13 -0.90 -0.01 0.00 1.25 0.00 0.00 34.83 35.04 3kc1 s MET 172 CO 0.02 0.24 -0.07 -1.17 1.05 0.00 0.00 175.02 175.09 3kc1 s LEU 173 N -0.69 2.80 -0.28 4.11 0.20 0.50 -0.15 118.68 125.17 3kc1 s LEU 173 Ca 0.03 -0.40 -0.08 0.00 0.69 0.00 0.00 54.13 54.36 3kc1 s LEU 173 Cb -0.06 -1.69 -0.02 0.00 -0.43 0.00 0.00 46.19 43.99 3kc1 s LEU 173 CO 0.00 0.01 0.11 -0.69 -0.29 0.00 0.00 176.35 175.50 3kc1 s VAL 174 N 1.26 4.45 -0.16 1.68 1.01 0.64 -0.93 120.40 128.35 3kc1 s VAL 174 Ca 0.03 -0.28 0.01 0.00 0.00 0.00 0.00 61.98 61.73 3kc1 s VAL 174 Cb -0.14 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.07 3kc1 s VAL 174 CO -0.03 0.21 -0.17 -0.22 0.00 0.00 0.00 175.10 174.90 3kc1 s LEU 175 N 1.61 2.36 -0.08 3.92 2.96 -0.41 -1.63 118.68 127.42 3kc1 s LEU 175 Ca 0.05 -0.53 0.03 0.00 -0.22 0.00 0.00 54.13 53.46 3kc1 s LEU 175 Cb -0.16 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3kc1 s LEU 175 CO 0.05 0.06 -0.16 0.00 -1.32 0.00 0.00 176.35 174.98 3kc1 s ALA 176 N 0.98 2.55 0.24 5.97 0.00 0.82 -1.20 121.76 131.12 3kc1 s ALA 176 Ca -0.02 -0.96 -0.03 0.00 0.00 0.00 0.00 51.96 50.95 3kc1 s ALA 176 Cb -0.15 -1.01 0.01 0.00 0.00 0.00 0.00 23.12 21.97 3kc1 s ALA 176 CO -0.04 0.41 0.36 -1.33 0.00 0.00 0.00 175.76 175.16 3kc1 n MET 177 N 2.91 0.52 -0.28 0.00 2.81 -0.69 -1.50 117.12 120.89 3kc1 n MET 177 Ca -0.18 -1.78 0.13 0.00 -1.81 0.00 0.00 57.70 54.06 3kc1 n MET 177 Cb 0.52 1.80 0.38 0.00 -0.71 0.00 0.00 33.22 35.21 3kc1 n MET 177 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 3kc1 h ASP 178 N 1.31 0.66 0.34 7.83 3.32 -1.94 -0.17 116.42 127.77 3kc1 h ASP 178 Ca -0.19 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.91 3kc1 h ASP 178 Cb 0.79 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 40.27 3kc1 h ASP 178 CO 0.25 0.31 0.00 0.00 -1.72 0.00 0.00 179.24 178.08 3kc1 n GLY 180 N -0.10 0.39 3.49 0.00 0.00 -0.08 -4.90 105.19 103.99 3kc1 n GLY 180 Ca 0.05 -2.29 -0.34 0.00 0.00 0.00 0.00 46.02 43.44 3kc1 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc1 s VAL 181 N -0.08 3.91 -0.03 1.61 1.01 -1.26 -1.70 120.40 123.86 3kc1 s VAL 181 Ca 0.00 -0.34 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3kc1 s VAL 181 Cb 0.00 -2.73 -0.00 0.00 0.00 0.00 0.00 36.38 33.65 3kc1 s VAL 181 CO 0.00 0.48 -0.13 0.20 0.00 0.00 0.00 175.10 175.64 3kc1 s ASN 182 N 0.51 1.73 -0.17 3.32 -0.87 -0.34 -0.29 114.94 118.84 3kc1 s ASN 182 Ca -0.03 -0.28 -0.04 0.00 -1.57 0.00 0.00 52.86 50.94 3kc1 s ASN 182 Cb -0.14 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.25 40.60 3kc1 s ASN 182 CO 0.03 0.12 -0.02 0.00 -2.57 0.00 0.00 177.10 174.65 3kc1 s PHE 184 N 0.53 2.44 -0.16 0.00 0.08 -0.11 -1.05 117.98 119.71 3kc1 s PHE 184 Ca -0.02 -0.91 -0.11 0.00 0.12 0.00 0.00 56.93 56.01 3kc1 s PHE 184 Cb -0.14 -1.63 -0.05 0.00 -0.57 0.00 0.00 43.02 40.63 3kc1 s PHE 184 CO 0.02 -0.34 0.20 1.41 -0.10 0.00 0.00 175.22 176.42 3kc1 s MET 185 N 0.19 4.08 -0.23 0.44 -2.45 0.16 -0.37 119.30 121.13 3kc1 s MET 185 Ca -0.13 -0.06 -0.29 0.00 -1.25 0.00 0.00 55.69 53.96 3kc1 s MET 185 Cb -0.16 -3.38 0.01 0.00 1.25 0.00 0.00 34.83 32.55 3kc1 s MET 185 CO 0.07 0.37 1.03 -1.17 1.05 0.00 0.00 175.02 176.37 3kc1 s LEU 186 N 0.11 4.10 -0.54 4.11 2.96 0.29 0.40 118.68 130.11 3kc1 s LEU 186 Ca 0.13 1.37 -0.19 0.00 -0.22 0.00 0.00 54.13 55.22 3kc1 s LEU 186 Cb -0.12 -3.53 0.08 0.00 0.50 0.00 0.00 46.19 43.12 3kc1 s LEU 186 CO 0.02 -0.66 0.65 -0.62 -1.32 0.00 0.00 176.35 174.42 3kc1 s ASP 187 N 1.20 6.20 0.63 3.68 -1.08 0.11 -4.65 116.67 122.76 3kc1 s ASP 187 Ca 0.44 -1.13 0.36 0.00 -0.52 0.00 0.00 52.55 51.70 3kc1 s ASP 187 Cb -0.15 -2.29 2.06 0.00 -1.46 0.00 0.00 42.92 41.08 3kc1 s ASP 187 CO 0.06 -0.98 2.27 1.55 0.52 0.00 0.00 175.17 178.59 3kc1 h PRO 188 N 9.07 0.00 -0.20 4.34 0.13 -1.94 0.21 132.00 143.60 3kc1 h PRO 188 Ca -0.28 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 3kc1 h PRO 188 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3kc1 h PRO 188 CO 1.02 0.00 -0.22 0.00 -0.23 0.00 0.00 178.00 178.56 3kc1 h ALA 189 N 1.92 1.24 0.00 -0.56 0.00 -1.97 -3.30 119.26 116.59 3kc1 h ALA 189 Ca 0.01 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3kc1 h ALA 189 Cb 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3kc1 h ALA 189 CO -0.00 0.50 0.00 0.44 0.00 0.00 0.00 179.25 180.19 3kc1 n ILE 190 N -4.16 0.27 -3.65 0.00 -5.35 -0.89 -5.03 119.36 100.56 3kc1 n ILE 190 Ca -0.00 -0.49 -0.22 0.00 -0.27 0.00 0.00 62.75 61.77 3kc1 n ILE 190 Cb 0.37 1.05 0.05 0.00 -1.74 0.00 0.00 39.64 39.36 3kc1 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kc1 n GLY 191 N -0.14 -0.37 3.05 3.28 0.00 0.69 -5.00 105.19 106.71 3kc1 n GLY 191 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 46.02 45.94 3kc1 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kc1 s GLU 192 N -5.94 1.28 -0.37 1.61 0.41 -1.16 -4.95 118.70 109.57 3kc1 s GLU 192 Ca 0.16 -0.42 -0.24 0.00 -0.41 0.00 0.00 54.97 54.07 3kc1 s GLU 192 Cb -0.08 -1.15 0.01 0.00 -1.78 0.00 0.00 34.13 31.13 3kc1 s GLU 192 CO 0.78 0.16 0.81 -0.06 -0.49 0.00 0.00 175.26 176.46 3kc1 s PHE 193 N 0.15 3.09 -0.20 1.61 0.08 -1.26 -0.71 117.98 120.74 3kc1 s PHE 193 Ca -0.04 0.56 -0.13 0.00 0.12 0.00 0.00 56.93 57.45 3kc1 s PHE 193 Cb -0.10 -3.47 -0.05 0.00 -0.57 0.00 0.00 43.02 38.83 3kc1 s PHE 193 CO 0.01 -0.77 0.27 0.42 -0.10 0.00 0.00 175.22 175.04 3kc1 s ILE 194 N 3.19 5.30 -0.18 0.64 -1.09 0.16 -1.03 121.20 128.20 3kc1 s ILE 194 Ca 0.32 0.44 -0.29 0.00 -2.23 0.00 0.00 60.65 58.90 3kc1 s ILE 194 Cb -0.13 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.12 3kc1 s ILE 194 CO 0.18 0.34 1.64 -0.22 -1.23 0.00 0.00 174.94 175.65 3kc1 s LEU 195 N 0.87 3.99 -0.00 2.97 2.96 -0.82 0.39 118.68 129.04 3kc1 s LEU 195 Ca 0.14 1.78 0.04 0.00 -0.22 0.00 0.00 54.13 55.87 3kc1 s LEU 195 Cb -0.13 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.97 3kc1 s LEU 195 CO 0.04 -1.20 0.12 1.33 -1.32 0.00 0.00 176.35 175.33 3kc1 n VAL 196 N 6.21 0.00 -3.59 1.68 0.24 -0.22 -4.77 118.33 117.89 3kc1 n VAL 196 Ca 0.19 -0.24 -0.20 0.00 -2.04 0.00 0.00 64.34 62.04 3kc1 n VAL 196 Cb 0.45 0.70 -0.15 0.00 -1.47 0.00 0.00 33.84 33.36 3kc1 n VAL 196 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3kc1 s ASP 197 N -1.92 1.45 0.02 -1.34 -1.08 -1.10 -5.02 116.67 107.68 3kc1 s ASP 197 Ca -0.00 -0.15 -0.08 0.00 -0.52 0.00 0.00 52.55 51.80 3kc1 s ASP 197 Cb 0.03 0.14 -0.05 0.00 -1.46 0.00 0.00 42.92 41.57 3kc1 s ASP 197 CO 0.16 -0.30 0.30 -0.54 0.52 0.00 0.00 175.17 175.31 3kc1 s LYS 198 N 2.25 3.64 -1.01 4.34 1.02 -1.26 -1.07 119.74 127.65 3kc1 s LYS 198 Ca 0.04 0.01 -0.27 0.00 0.02 0.00 0.00 55.97 55.78 3kc1 s LYS 198 Cb -0.14 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.13 3kc1 s LYS 198 CO -0.09 0.64 0.58 -3.47 -0.92 0.00 0.00 175.35 172.09 3kc1 n ASP 199 N 1.17 -3.65 -4.77 2.83 2.03 -0.81 -4.84 116.55 108.52 3kc1 n ASP 199 Ca -0.11 -1.10 -0.40 0.00 0.52 0.00 0.00 54.79 53.69 3kc1 n ASP 199 Cb 0.53 -1.37 -0.03 0.00 -0.72 0.00 0.00 41.12 39.53 3kc1 n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kc1 s VAL 200 N -3.59 2.98 -0.03 5.18 1.01 0.61 -4.84 120.40 121.71 3kc1 s VAL 200 Ca 0.37 0.97 0.03 0.00 0.00 0.00 0.00 61.98 63.35 3kc1 s VAL 200 Cb -0.21 -3.61 -0.00 0.00 0.00 0.00 0.00 36.38 32.57 3kc1 s VAL 200 CO 0.84 0.22 -0.12 -0.54 0.00 0.00 0.00 175.10 175.50 3kc1 s LYS 201 N -1.76 1.21 0.47 2.72 -0.14 -1.26 -4.44 119.74 116.55 3kc1 s LYS 201 Ca 0.49 -0.42 -0.19 0.00 -1.36 0.00 0.00 55.97 54.49 3kc1 s LYS 201 Cb -0.37 -1.11 -0.09 0.00 -1.68 0.00 0.00 37.83 34.58 3kc1 s LYS 201 CO 0.48 0.18 0.97 -1.50 -0.76 0.00 0.00 175.35 174.72 3kc1 s ILE 202 N 0.06 4.47 0.49 2.17 2.07 -0.15 -5.01 121.20 125.29 3kc1 s ILE 202 Ca -0.02 1.35 -0.23 0.00 -1.41 0.00 0.00 60.65 60.34 3kc1 s ILE 202 Cb -0.09 -3.66 -0.06 0.00 0.13 0.00 0.00 42.46 38.78 3kc1 s ILE 202 CO 0.01 -0.51 1.31 -0.54 -1.91 0.00 0.00 174.94 173.30 3kc1 s LYS 203 N -3.64 3.49 0.31 3.50 1.02 -1.26 -4.90 119.74 118.26 3kc1 s LYS 203 Ca 0.60 2.14 0.01 0.00 0.02 0.00 0.00 55.97 58.75 3kc1 s LYS 203 Cb -0.09 -2.42 0.56 0.00 -0.52 0.00 0.00 37.83 35.35 3kc1 s LYS 203 CO 0.22 -0.88 1.90 -0.22 -0.92 0.00 0.00 175.35 175.46 3kc1 h LYS 204 N 1.91 0.96 -3.06 1.68 3.64 -1.95 -3.40 116.57 116.36 3kc1 h LYS 204 Ca -0.50 -0.06 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 3kc1 h LYS 204 Cb 1.27 -0.22 -0.26 0.00 -0.41 0.00 0.00 32.23 32.62 3kc1 h LYS 204 CO 0.59 0.64 -0.40 0.21 -2.27 0.00 0.00 179.45 178.22 3kc1 s LYS 205 N -5.89 0.32 0.00 1.90 2.20 -1.26 -1.87 119.74 115.14 3kc1 s LYS 205 Ca -0.11 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 55.90 3kc1 s LYS 205 Cb 0.20 0.14 0.00 0.00 -1.51 0.00 0.00 37.83 36.66 3kc1 s LYS 205 CO 0.80 -0.05 0.00 0.41 -0.36 0.00 0.00 175.35 176.15 3kc1 n GLY 206 N 3.03 3.32 0.81 5.54 0.00 -1.26 -4.75 105.19 111.88 3kc1 n GLY 206 Ca -0.14 -2.18 0.04 0.00 0.00 0.00 0.00 46.02 43.74 3kc1 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc1 n LYS 207 N -0.39 0.44 -3.98 1.61 5.02 -1.26 -4.75 118.16 114.84 3kc1 n LYS 207 Ca -0.00 -1.96 -0.15 0.00 -2.02 0.00 0.00 58.31 54.19 3kc1 n LYS 207 Cb 0.00 -0.65 -0.15 0.00 -0.02 0.00 0.00 35.03 34.22 3kc1 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kc1 s ILE 208 N -0.94 0.18 0.03 -0.18 1.01 -1.26 -0.48 121.20 119.56 3kc1 s ILE 208 Ca 0.23 -0.05 0.08 0.00 0.00 0.00 0.00 60.65 60.91 3kc1 s ILE 208 Cb 0.24 -0.19 -0.03 0.00 0.01 0.00 0.00 42.46 42.49 3kc1 s ILE 208 CO -0.07 0.08 -0.21 -0.72 0.00 0.00 0.00 174.94 174.02 3kc1 s TYR 209 N 0.24 2.47 -0.08 3.97 1.13 -0.61 -1.40 117.35 123.07 3kc1 s TYR 209 Ca -0.02 -0.31 -0.02 0.00 -1.41 0.00 0.00 57.07 55.31 3kc1 s TYR 209 Cb -0.04 -1.45 0.03 0.00 -1.10 0.00 0.00 41.96 39.40 3kc1 s TYR 209 CO -0.01 0.19 0.02 0.45 -2.51 0.00 0.00 175.55 173.70 3kc1 s SER 210 N -1.29 1.66 -0.10 -0.18 0.15 0.24 -2.55 113.70 111.63 3kc1 s SER 210 Ca 0.13 -0.15 -0.32 0.00 0.70 0.00 0.00 55.95 56.32 3kc1 s SER 210 Cb -0.10 -0.39 0.12 0.00 -1.71 0.00 0.00 66.02 63.94 3kc1 s SER 210 CO 0.04 -0.22 1.05 -1.48 1.20 0.00 0.00 173.24 173.82 3kc1 s LEU 211 N 2.01 -0.25 -0.73 3.45 2.34 -1.26 0.13 118.68 124.36 3kc1 s LEU 211 Ca 0.04 0.02 -0.27 0.00 0.06 0.00 0.00 54.13 53.99 3kc1 s LEU 211 Cb -0.13 1.70 0.03 0.00 -0.56 0.00 0.00 46.19 47.23 3kc1 s LEU 211 CO -0.05 -0.42 1.30 0.21 -1.06 0.00 0.00 176.35 176.33 3kc1 s ASN 212 N -2.24 6.14 0.00 1.48 3.84 -1.26 -4.84 114.94 118.05 3kc1 s ASN 212 Ca 0.07 -0.39 0.19 0.00 0.21 0.00 0.00 52.86 52.94 3kc1 s ASN 212 Cb -0.01 -2.56 1.06 0.00 -0.55 0.00 0.00 41.25 39.19 3kc1 s ASN 212 CO -0.06 -1.84 1.56 -0.62 -2.79 0.00 0.00 177.10 173.35 3kc1 n GLU 213 N 9.32 0.44 0.15 0.43 1.02 -1.26 -2.66 120.64 128.09 3kc1 n GLU 213 Ca 0.04 0.05 0.13 0.00 -0.02 0.00 0.00 57.16 57.36 3kc1 n GLU 213 Cb 0.49 -1.50 0.52 0.00 -0.02 0.00 0.00 31.44 30.93 3kc1 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kc1 h GLY 214 N 3.07 0.00 -0.89 0.62 0.00 -2.06 -1.80 103.07 102.00 3kc1 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kc1 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kc1 n TYR 215 N -2.36 0.21 -0.32 5.60 0.53 -1.09 -4.55 117.16 115.18 3kc1 n TYR 215 Ca 0.02 -0.11 0.04 0.00 -1.02 0.00 0.00 57.90 56.84 3kc1 n TYR 215 Cb 0.24 0.00 0.11 0.00 -1.03 0.00 0.00 39.34 38.66 3kc1 n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kc1 n ALA 216 N 0.39 0.16 -0.17 -0.72 0.00 -0.68 0.19 120.51 119.69 3kc1 n ALA 216 Ca 0.16 0.96 0.15 0.00 0.00 0.00 0.00 53.44 54.72 3kc1 n ALA 216 Cb 0.35 -0.55 0.49 0.00 0.00 0.00 0.00 19.45 19.74 3kc1 n ALA 216 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 3kc1 h LYS 217 N 0.00 0.43 -0.55 0.00 3.64 -1.86 -1.52 116.57 116.71 3kc1 h LYS 217 Ca 0.41 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.76 3kc1 h LYS 217 Cb 0.63 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.35 3kc1 h LYS 217 CO -0.91 0.28 0.00 -0.25 -2.27 0.00 0.00 179.45 176.30 3kc1 n ASP 218 N -4.48 3.66 -4.71 4.20 8.00 0.13 -5.00 116.55 118.35 3kc1 n ASP 218 Ca 0.14 -1.99 -0.38 0.00 0.71 0.00 0.00 54.79 53.28 3kc1 n ASP 218 Cb 0.52 -0.36 0.06 0.00 -0.02 0.00 0.00 41.12 41.32 3kc1 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kc1 n PHE 219 N 1.50 1.78 -2.52 1.24 3.72 -0.57 -4.29 117.46 118.31 3kc1 n PHE 219 Ca 0.21 0.43 -0.34 0.00 -0.05 0.00 0.00 57.45 57.70 3kc1 n PHE 219 Cb 0.60 -2.26 -0.03 0.00 -0.94 0.00 0.00 39.48 36.84 3kc1 n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kc1 s ASP 220 N -1.22 6.30 0.34 4.37 2.15 -1.26 -4.85 116.67 122.49 3kc1 s ASP 220 Ca 0.78 1.95 0.08 0.00 0.43 0.00 0.00 52.55 55.79 3kc1 s ASP 220 Cb -0.40 -2.56 0.79 0.00 -0.30 0.00 0.00 42.92 40.44 3kc1 s ASP 220 CO 0.44 -0.81 1.86 -0.65 -0.17 0.00 0.00 175.17 175.83 3kc1 h PRO 221 N 1.54 0.71 -0.66 4.34 0.11 -1.97 -1.55 132.00 134.51 3kc1 h PRO 221 Ca -0.50 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.49 3kc1 h PRO 221 Cb 1.22 -0.16 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3kc1 h PRO 221 CO 0.59 0.47 0.09 0.00 -0.21 0.00 0.00 178.00 178.93 3kc1 h ALA 222 N 1.59 0.90 -0.38 -0.75 0.00 -1.92 -1.51 119.26 117.20 3kc1 h ALA 222 Ca 0.47 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 55.00 3kc1 h ALA 222 Cb 0.72 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 3kc1 h ALA 222 CO -0.23 0.67 -0.13 0.28 0.00 0.00 0.00 179.25 179.84 3kc1 h VAL 223 N 1.03 1.28 -0.47 0.00 2.07 -1.73 -1.23 116.25 117.20 3kc1 h VAL 223 Ca 0.20 -1.23 0.03 0.00 0.82 0.00 0.00 66.70 66.51 3kc1 h VAL 223 Cb 0.46 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.47 3kc1 h VAL 223 CO 0.02 0.41 0.27 0.74 0.02 0.00 0.00 177.57 179.03 3kc1 h THR 224 N 0.57 1.03 -0.24 2.57 2.02 -1.10 -1.41 112.91 116.35 3kc1 h THR 224 Ca 0.09 -0.19 -0.05 0.00 0.77 0.00 0.00 66.41 67.04 3kc1 h THR 224 Cb 0.66 0.44 -0.01 0.00 -1.74 0.00 0.00 68.15 67.50 3kc1 h THR 224 CO 0.05 0.10 -0.05 -0.08 0.37 0.00 0.00 175.52 175.91 3kc1 h GLU 225 N 0.54 0.46 -0.36 6.66 4.81 -1.20 -1.94 114.58 123.55 3kc1 h GLU 225 Ca 0.19 -0.17 0.04 0.00 -0.13 0.00 0.00 59.36 59.29 3kc1 h GLU 225 Cb 0.04 -0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 3kc1 h GLU 225 CO -0.10 0.67 0.14 -0.92 -0.73 0.00 0.00 179.01 178.07 3kc1 h TYR 226 N 0.20 0.24 -0.80 0.92 3.20 -1.02 -0.91 116.97 118.81 3kc1 h TYR 226 Ca 0.06 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.91 3kc1 h TYR 226 Cb 0.50 -0.06 -0.04 0.00 1.54 0.00 0.00 36.73 38.68 3kc1 h TYR 226 CO 0.05 0.11 0.34 0.82 -1.64 0.00 0.00 178.16 177.83 3kc1 h ILE 227 N 0.29 1.26 -0.91 1.81 1.08 -1.26 -1.59 117.51 118.19 3kc1 h ILE 227 Ca 0.16 -0.79 0.09 0.00 -0.39 0.00 0.00 64.86 63.94 3kc1 h ILE 227 Cb 0.13 0.29 -0.07 0.00 -3.07 0.00 0.00 36.82 34.11 3kc1 h ILE 227 CO -0.16 0.33 0.59 -0.61 -0.69 0.00 0.00 178.15 177.61 3kc1 h GLN 228 N 1.15 0.91 0.00 2.37 5.75 -0.61 0.07 115.11 124.75 3kc1 h GLN 228 Ca 0.27 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.64 3kc1 h GLN 228 Cb 0.19 -0.20 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 3kc1 h GLN 228 CO -0.03 0.60 -0.36 0.00 -2.65 0.00 0.00 178.83 176.39 3kc1 h ARG 229 N 0.93 0.00 0.01 1.69 3.08 -0.22 0.21 114.38 120.08 3kc1 h ARG 229 Ca 0.42 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.27 3kc1 h ARG 229 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3kc1 h ARG 229 CO -0.18 0.36 -0.89 0.87 -1.07 0.00 0.00 179.97 179.06 3kc1 h LYS 230 N 0.00 0.19 0.04 0.04 1.79 -0.48 -2.86 116.57 115.29 3kc1 h LYS 230 Ca -0.00 -0.22 -0.31 0.00 -2.18 0.00 0.00 60.65 57.94 3kc1 h LYS 230 Cb 0.79 0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 31.46 3kc1 h LYS 230 CO 0.05 0.96 -1.76 0.87 -1.08 0.00 0.00 179.45 178.48 3kc1 h LYS 231 N 0.10 0.08 -2.43 3.15 1.57 -1.17 0.58 116.57 118.46 3kc1 h LYS 231 Ca -0.05 -0.14 -0.59 0.00 -1.87 0.00 0.00 60.65 58.00 3kc1 h LYS 231 Cb 1.52 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.48 3kc1 h LYS 231 CO 0.14 0.72 -0.80 1.19 -0.57 0.00 0.00 179.45 180.13 3kc1 n PHE 232 N -3.18 1.51 -1.55 -1.35 3.72 0.73 -4.74 117.46 112.61 3kc1 n PHE 232 Ca -0.20 -3.86 -0.47 0.00 -0.05 0.00 0.00 57.45 52.87 3kc1 n PHE 232 Cb 1.05 -0.33 -0.03 0.00 -0.94 0.00 0.00 39.48 39.23 3kc1 n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kc1 n PRO 233 N 1.75 1.01 -0.27 -1.08 -0.02 -1.08 -4.52 135.00 130.80 3kc1 n PRO 233 Ca 0.25 0.36 -0.06 0.00 -2.02 0.00 0.00 63.50 62.03 3kc1 n PRO 233 Cb 0.44 -1.71 0.06 0.00 -0.02 0.00 0.00 33.50 32.27 3kc1 n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kc1 h PRO 234 N 2.33 1.07 -0.94 0.52 0.11 -1.93 -2.48 132.00 130.68 3kc1 h PRO 234 Ca -0.39 -0.16 -0.25 0.00 0.11 0.00 0.00 66.00 65.31 3kc1 h PRO 234 Cb 1.36 -0.19 -0.15 0.00 0.11 0.00 0.00 31.00 32.13 3kc1 h PRO 234 CO 0.63 0.84 0.31 -0.40 -0.21 0.00 0.00 178.00 179.18 3kc1 n ASP 235 N -4.39 3.58 -2.05 -2.05 5.75 -1.26 -4.89 116.55 111.25 3kc1 n ASP 235 Ca 0.06 -2.90 -0.06 0.00 -0.01 0.00 0.00 54.79 51.88 3kc1 n ASP 235 Cb 0.14 -0.69 -0.01 0.00 -1.03 0.00 0.00 41.12 39.53 3kc1 n ASP 235 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3kc1 n ASN 236 N -0.31 -2.21 -3.14 -1.12 5.15 -0.93 -4.93 115.26 107.77 3kc1 n ASN 236 Ca 0.33 0.28 -0.18 0.00 -0.60 0.00 0.00 54.58 54.41 3kc1 n ASN 236 Cb 1.14 -2.06 0.15 0.00 -0.53 0.00 0.00 39.78 38.49 3kc1 n ASN 236 CO 0.00 0.00 0.00 -1.54 1.40 0.00 0.00 177.26 177.12 3kc1 n SER 237 N -1.02 -1.57 -4.72 1.20 3.41 -1.26 -4.94 113.62 104.73 3kc1 n SER 237 Ca -0.07 -0.92 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 3kc1 n SER 237 Cb 0.44 -0.61 -0.03 0.00 -0.26 0.00 0.00 64.21 63.75 3kc1 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc1 s ALA 238 N -3.06 3.34 0.63 7.33 0.00 -1.26 -4.64 121.76 124.09 3kc1 s ALA 238 Ca 0.43 0.78 -0.17 0.00 0.00 0.00 0.00 51.96 53.00 3kc1 s ALA 238 Cb -0.04 -3.41 -0.02 0.00 0.00 0.00 0.00 23.12 19.65 3kc1 s ALA 238 CO 0.33 -0.36 1.16 -1.25 0.00 0.00 0.00 175.76 175.64 3kc1 s PRO 239 N 0.85 2.84 0.60 0.00 0.04 -1.26 -4.93 135.00 133.14 3kc1 s PRO 239 Ca 0.56 1.63 -0.16 0.00 0.04 0.00 0.00 61.00 63.07 3kc1 s PRO 239 Cb -0.28 -1.93 -0.03 0.00 0.04 0.00 0.00 34.50 32.30 3kc1 s PRO 239 CO 0.30 -1.26 1.08 0.71 0.04 0.00 0.00 177.00 177.86 3kc1 s TYR 240 N -1.93 2.85 0.42 0.56 1.51 0.19 -5.01 117.35 115.94 3kc1 s TYR 240 Ca 0.73 1.53 -0.07 0.00 -1.01 0.00 0.00 57.07 58.25 3kc1 s TYR 240 Cb -0.26 -3.09 -0.05 0.00 -0.11 0.00 0.00 41.96 38.46 3kc1 s TYR 240 CO 0.37 -1.30 0.74 0.20 -1.11 0.00 0.00 175.55 174.44 3kc1 s GLY 241 N -2.56 1.69 -0.04 0.71 0.00 0.36 -4.80 107.32 102.68 3kc1 s GLY 241 Ca 0.66 -0.43 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3kc1 s GLY 241 CO 0.36 -0.27 -0.12 0.00 0.00 0.00 0.00 173.10 173.07 3kc1 s ALA 242 N -2.50 2.78 -0.12 3.20 0.00 -1.26 -1.57 121.76 122.28 3kc1 s ALA 242 Ca 0.48 -0.98 -0.07 0.00 0.00 0.00 0.00 51.96 51.39 3kc1 s ALA 242 Cb -0.10 -1.03 0.04 0.00 0.00 0.00 0.00 23.12 22.03 3kc1 s ALA 242 CO 0.38 0.57 0.28 1.03 0.00 0.00 0.00 175.76 178.02 3kc1 s ARG 243 N -0.90 0.27 -0.34 0.00 1.81 -1.06 -4.97 118.95 113.76 3kc1 s ARG 243 Ca 0.13 0.55 0.04 0.00 -1.72 0.00 0.00 55.73 54.72 3kc1 s ARG 243 Cb -0.11 -0.05 0.16 0.00 -0.45 0.00 0.00 34.95 34.51 3kc1 s ARG 243 CO 0.02 -0.14 0.44 -0.47 -0.68 0.00 0.00 175.30 174.48 3kc1 s TYR 244 N 1.06 -0.92 0.17 -0.53 5.04 -1.26 -4.11 117.35 116.79 3kc1 s TYR 244 Ca -0.07 -0.07 -0.07 0.00 -2.44 0.00 0.00 57.07 54.41 3kc1 s TYR 244 Cb -0.08 -0.14 0.04 0.00 0.35 0.00 0.00 41.96 42.12 3kc1 s TYR 244 CO -0.08 -1.02 1.49 0.28 -1.34 0.00 0.00 175.55 174.89 3kc1 h VAL 245 N 5.55 1.29 0.00 3.14 2.07 -1.97 -3.47 116.25 122.86 3kc1 h VAL 245 Ca -0.01 -1.64 0.00 0.00 0.82 0.00 0.00 66.70 65.87 3kc1 h VAL 245 Cb 1.11 1.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 3kc1 h VAL 245 CO 0.21 0.53 0.00 0.61 0.02 0.00 0.00 177.57 178.94 3kc1 n GLY 246 N 0.17 0.35 3.24 2.17 0.00 -1.26 -5.02 105.19 104.84 3kc1 n GLY 246 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 3kc1 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kc1 s SER 247 N -2.23 4.00 0.22 1.61 0.15 -1.26 -4.90 113.70 111.28 3kc1 s SER 247 Ca 0.00 -0.54 -0.09 0.00 0.70 0.00 0.00 55.95 56.03 3kc1 s SER 247 Cb 0.00 -1.66 0.31 0.00 -1.71 0.00 0.00 66.02 62.96 3kc1 s SER 247 CO 0.00 -0.03 1.73 -0.03 1.20 0.00 0.00 173.24 176.11 3kc1 h MET 248 N 8.05 0.37 -0.94 5.44 4.05 -1.93 -0.90 114.93 129.08 3kc1 h MET 248 Ca -0.41 -0.02 -0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3kc1 h MET 248 Cb 1.15 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.82 3kc1 h MET 248 CO 0.61 0.25 0.58 0.28 0.23 0.00 0.00 176.91 178.86 3kc1 h VAL 249 N 0.38 1.25 -0.14 -5.77 2.07 -1.94 0.16 116.25 112.26 3kc1 h VAL 249 Ca 0.33 -0.53 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3kc1 h VAL 249 Cb 0.44 -0.09 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3kc1 h VAL 249 CO -0.34 0.26 -0.08 0.00 0.02 0.00 0.00 177.57 177.42 3kc1 h ALA 250 N 1.35 0.20 -0.52 1.67 0.00 -1.69 -1.67 119.26 118.60 3kc1 h ALA 250 Ca 0.34 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.87 3kc1 h ALA 250 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kc1 h ALA 250 CO -0.07 0.02 -0.08 -0.44 0.00 0.00 0.00 179.25 178.68 3kc1 h ASP 251 N -0.04 0.98 -0.52 0.00 3.32 -0.96 -2.31 116.42 116.89 3kc1 h ASP 251 Ca 0.03 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.64 3kc1 h ASP 251 Cb 0.57 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3kc1 h ASP 251 CO 0.02 1.09 -0.07 0.58 -1.72 0.00 0.00 179.24 179.15 3kc1 h VAL 252 N 0.85 1.27 -0.70 -1.35 2.07 -0.73 -2.02 116.25 115.64 3kc1 h VAL 252 Ca 0.14 -1.20 -0.06 0.00 0.82 0.00 0.00 66.70 66.40 3kc1 h VAL 252 Cb 0.64 0.99 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3kc1 h VAL 252 CO 0.04 0.42 0.20 -0.74 0.02 0.00 0.00 177.57 177.51 3kc1 h HIS 253 N 0.82 1.14 -0.73 1.57 -0.00 -1.23 -0.58 115.15 116.14 3kc1 h HIS 253 Ca 0.14 -0.12 -0.03 0.00 -0.00 0.00 0.00 60.37 60.36 3kc1 h HIS 253 Cb 0.62 -0.33 -0.03 0.00 -0.00 0.00 0.00 27.41 27.67 3kc1 h HIS 253 CO 0.04 0.91 0.32 -0.09 -0.00 0.00 0.00 177.93 179.12 3kc1 h ARG 254 N 1.05 1.07 -0.81 5.26 2.43 -1.28 -0.07 114.38 122.02 3kc1 h ARG 254 Ca 0.22 -0.18 0.02 0.00 -0.81 0.00 0.00 59.98 59.24 3kc1 h ARG 254 Cb 0.32 -0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 3kc1 h ARG 254 CO -0.00 0.86 0.53 1.15 -1.51 0.00 0.00 179.97 180.99 3kc1 h THR 255 N 1.04 1.16 -0.32 0.20 2.02 -0.70 0.26 112.91 116.56 3kc1 h THR 255 Ca 0.25 -0.36 -0.05 0.00 0.77 0.00 0.00 66.41 67.02 3kc1 h THR 255 Cb 0.16 0.02 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 3kc1 h THR 255 CO -0.03 0.19 -0.01 0.25 0.37 0.00 0.00 175.52 176.30 3kc1 h LEU 256 N 1.05 0.56 -0.09 2.58 5.85 -0.47 0.56 115.31 125.35 3kc1 h LEU 256 Ca 0.31 -0.31 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3kc1 h LEU 256 Cb -0.05 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 40.83 3kc1 h LEU 256 CO -0.09 0.74 -0.16 0.58 -0.34 0.00 0.00 178.44 179.17 3kc1 h VAL 257 N 0.37 1.39 0.00 1.05 2.07 -0.64 -3.36 116.25 117.13 3kc1 h VAL 257 Ca 0.09 -1.42 0.00 0.00 0.82 0.00 0.00 66.70 66.19 3kc1 h VAL 257 Cb 0.45 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3kc1 h VAL 257 CO 0.02 0.40 -1.40 -1.22 0.02 0.00 0.00 177.57 175.39 3kc1 n TYR 258 N -4.58 0.00 0.00 1.57 4.01 0.87 -4.91 117.16 114.12 3kc1 n TYR 258 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3kc1 n TYR 258 Cb 0.38 -0.20 0.00 0.00 -0.31 0.00 0.00 39.34 39.21 3kc1 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc1 n GLY 259 N 1.40 -1.16 0.00 2.72 0.00 0.20 -4.66 105.19 103.69 3kc1 n GLY 259 Ca 0.01 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.41 3kc1 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc1 n GLY 260 N -1.30 0.35 2.95 -0.02 0.00 -1.26 -4.52 105.19 101.38 3kc1 n GLY 260 Ca 0.00 -2.14 -0.11 0.00 0.00 0.00 0.00 46.02 43.77 3kc1 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc1 s ILE 261 N 0.00 0.05 -0.06 -0.61 2.07 -0.50 -0.21 121.20 121.94 3kc1 s ILE 261 Ca 0.00 -0.41 0.05 0.00 -1.41 0.00 0.00 60.65 58.88 3kc1 s ILE 261 Cb 0.00 -0.16 -0.01 0.00 0.13 0.00 0.00 42.46 42.43 3kc1 s ILE 261 CO 0.00 -0.22 -0.22 0.12 -1.91 0.00 0.00 174.94 172.71 3kc1 s PHE 262 N -0.66 2.18 -0.02 3.50 5.36 0.07 -0.59 117.98 127.82 3kc1 s PHE 262 Ca -0.07 -0.70 0.02 0.00 -0.96 0.00 0.00 56.93 55.22 3kc1 s PHE 262 Cb -0.05 -1.45 0.00 0.00 -0.34 0.00 0.00 43.02 41.19 3kc1 s PHE 262 CO -0.00 -0.24 -0.07 -0.51 -1.46 0.00 0.00 175.22 172.95 3kc1 s LEU 263 N 0.02 1.78 -0.41 6.12 1.02 0.12 -1.46 118.68 125.86 3kc1 s LEU 263 Ca -0.07 -0.13 0.07 0.00 0.02 0.00 0.00 54.13 54.02 3kc1 s LEU 263 Cb -0.14 -0.41 0.24 0.00 0.02 0.00 0.00 46.19 45.90 3kc1 s LEU 263 CO 0.04 0.04 0.59 0.00 0.02 0.00 0.00 176.35 177.04 3kc1 n TYR 264 N 3.29 -1.08 -1.65 0.29 4.19 -0.45 -4.34 117.16 117.43 3kc1 n TYR 264 Ca -0.18 -3.14 -0.29 0.00 3.31 0.00 0.00 57.90 57.60 3kc1 n TYR 264 Cb 0.55 0.11 0.16 0.00 0.49 0.00 0.00 39.34 40.66 3kc1 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kc1 s PRO 265 N -0.68 0.67 0.66 2.98 0.04 -1.26 -2.33 135.00 135.08 3kc1 s PRO 265 Ca 0.34 -0.04 0.02 0.00 0.04 0.00 0.00 61.00 61.36 3kc1 s PRO 265 Cb 0.17 -1.82 0.10 0.00 0.04 0.00 0.00 34.50 33.00 3kc1 s PRO 265 CO -0.14 -2.45 0.91 0.00 0.04 0.00 0.00 177.00 175.36 3kc1 s ALA 266 N -3.49 3.94 0.00 8.56 0.00 -1.26 -4.58 121.76 124.93 3kc1 s ALA 266 Ca 0.68 -1.75 -0.02 0.00 0.00 0.00 0.00 51.96 50.87 3kc1 s ALA 266 Cb -0.09 -1.91 0.01 0.00 0.00 0.00 0.00 23.12 21.13 3kc1 s ALA 266 CO 0.53 -1.22 0.11 0.27 0.00 0.00 0.00 175.76 175.46 3kc1 n ASN 267 N -2.63 -0.12 -0.03 0.00 2.04 0.25 -4.43 115.26 110.34 3kc1 n ASN 267 Ca 0.14 -1.04 -0.09 0.00 -0.44 0.00 0.00 54.58 53.16 3kc1 n ASN 267 Cb 0.61 0.19 -0.02 0.00 -2.53 0.00 0.00 39.78 38.02 3kc1 n ASN 267 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3kc1 h LYS 268 N 0.00 -0.26 0.07 -3.83 3.64 -1.93 -1.61 116.57 112.65 3kc1 h LYS 268 Ca -0.02 0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.37 3kc1 h LYS 268 Cb 0.11 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 3kc1 h LYS 268 CO 0.03 -0.17 -0.03 0.87 -2.27 0.00 0.00 179.45 177.87 3kc1 h LYS 269 N -0.27 -0.09 -3.18 1.90 1.79 -1.96 -3.36 116.57 111.40 3kc1 h LYS 269 Ca 0.12 0.01 -0.63 0.00 -2.18 0.00 0.00 60.65 57.97 3kc1 h LYS 269 Cb 0.45 0.02 -0.41 0.00 -1.58 0.00 0.00 32.23 30.71 3kc1 h LYS 269 CO -0.35 -0.01 -0.57 -1.12 -1.08 0.00 0.00 179.45 176.32 3kc1 s SER 270 N -5.16 4.74 0.53 0.86 0.01 -1.05 -4.96 113.70 108.66 3kc1 s SER 270 Ca -0.14 -3.62 0.21 0.00 1.31 0.00 0.00 55.95 53.71 3kc1 s SER 270 Cb 0.05 -1.65 1.35 0.00 0.21 0.00 0.00 66.02 65.98 3kc1 s SER 270 CO 0.65 -0.13 2.08 1.55 0.41 0.00 0.00 173.24 177.81 3kc1 h PRO 271 N 5.73 0.00 -0.41 12.44 0.13 -1.46 0.95 132.00 149.38 3kc1 h PRO 271 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.21 3kc1 h PRO 271 Cb 0.79 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.92 3kc1 h PRO 271 CO 0.72 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.58 3kc1 n ASN 272 N -4.44 3.44 0.00 1.44 3.02 -1.26 -4.60 115.26 112.86 3kc1 n ASN 272 Ca 0.03 -2.25 0.00 0.00 -0.03 0.00 0.00 54.58 52.32 3kc1 n ASN 272 Cb 0.32 -0.36 0.00 0.00 -0.61 0.00 0.00 39.78 39.13 3kc1 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kc1 n GLY 273 N 0.50 -2.26 0.02 7.41 0.00 -0.70 -0.96 105.19 109.20 3kc1 n GLY 273 Ca 0.16 -1.66 -0.03 0.00 0.00 0.00 0.00 46.02 44.50 3kc1 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc1 n LYS 274 N -0.20 1.22 -2.09 1.61 4.81 -1.26 -4.66 118.16 117.60 3kc1 n LYS 274 Ca 0.00 0.02 -0.34 0.00 -0.87 0.00 0.00 58.31 57.11 3kc1 n LYS 274 Cb 0.00 -1.09 0.02 0.00 0.02 0.00 0.00 35.03 33.98 3kc1 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kc1 s LEU 275 N -4.92 3.62 0.01 3.14 1.43 -1.26 -4.81 118.68 115.89 3kc1 s LEU 275 Ca -0.04 2.10 -0.25 0.00 -1.03 0.00 0.00 54.13 54.90 3kc1 s LEU 275 Cb 0.01 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 3kc1 s LEU 275 CO 0.11 -1.35 0.78 -0.13 0.23 0.00 0.00 176.35 175.99 3kc1 s ARG 276 N -3.58 4.49 0.04 1.70 3.00 -1.26 -0.78 118.95 122.56 3kc1 s ARG 276 Ca 0.70 1.06 -0.27 0.00 0.00 0.00 0.00 55.73 57.23 3kc1 s ARG 276 Cb -0.22 -3.40 -0.17 0.00 0.00 0.00 0.00 34.95 31.16 3kc1 s ARG 276 CO 0.32 0.19 1.48 1.25 0.00 0.00 0.00 175.30 178.53 3kc1 h LEU 277 N 6.09 -0.38 -0.30 2.53 5.85 -1.54 -0.05 115.31 127.51 3kc1 h LEU 277 Ca -0.43 -0.09 0.03 0.00 0.84 0.00 0.00 57.88 58.23 3kc1 h LEU 277 Cb 1.20 0.10 -0.03 0.00 0.37 0.00 0.00 40.66 42.30 3kc1 h LEU 277 CO 0.73 -0.14 0.12 -0.07 -0.34 0.00 0.00 178.44 178.74 3kc1 h LEU 278 N -0.61 0.15 -2.98 2.25 -0.00 -1.80 -0.20 115.31 112.13 3kc1 h LEU 278 Ca -0.05 0.03 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 3kc1 h LEU 278 Cb 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.10 3kc1 h LEU 278 CO 0.07 0.12 0.00 0.00 -0.00 0.00 0.00 178.44 178.64 3kc1 n TYR 279 N -5.00 0.15 0.09 1.13 4.11 -1.26 -4.52 117.16 111.86 3kc1 n TYR 279 Ca -0.00 -0.54 0.00 0.00 -0.00 0.00 0.00 57.90 57.36 3kc1 n TYR 279 Cb 0.10 -0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 3kc1 n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3kc1 n GLU 280 N -0.29 0.00 0.16 -3.48 1.02 -0.88 -4.17 120.64 113.01 3kc1 n GLU 280 Ca 0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3kc1 n GLU 280 Cb 0.34 -0.28 -0.07 0.00 -0.02 0.00 0.00 31.44 31.41 3kc1 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc1 h ASN 282 N -0.96 -0.37 -0.42 0.00 -0.26 -1.27 0.20 115.58 112.49 3kc1 h ASN 282 Ca -0.05 0.09 0.04 0.00 -0.56 0.00 0.00 56.30 55.83 3kc1 h ASN 282 Cb 0.52 0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.95 3kc1 h ASN 282 CO 0.08 -0.14 0.19 -0.65 -1.06 0.00 0.00 177.43 175.84 3kc1 h PRO 283 N -0.07 0.37 -0.29 0.81 0.11 -1.79 0.98 132.00 132.12 3kc1 h PRO 283 Ca 0.13 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 3kc1 h PRO 283 Cb 0.27 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.28 3kc1 h PRO 283 CO -0.30 0.25 -0.28 0.52 -0.21 0.00 0.00 178.00 177.98 3kc1 h MET 284 N 0.38 0.59 -0.62 1.05 2.86 -1.45 -1.49 114.93 116.25 3kc1 h MET 284 Ca 0.19 -0.24 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 3kc1 h MET 284 Cb 0.12 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 3kc1 h MET 284 CO -0.15 0.81 0.12 0.00 1.06 0.00 0.00 176.91 178.74 3kc1 h ALA 285 N 1.19 1.04 -0.33 6.32 0.00 -0.08 -0.28 119.26 127.11 3kc1 h ALA 285 Ca 0.07 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 3kc1 h ALA 285 Cb 0.74 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kc1 h ALA 285 CO 0.06 0.62 0.03 -0.92 0.00 0.00 0.00 179.25 179.04 3kc1 h TYR 286 N 0.94 0.61 -0.44 0.00 3.20 -0.47 -0.84 116.97 119.96 3kc1 h TYR 286 Ca 0.19 -0.09 -0.01 0.00 3.14 0.00 0.00 58.73 61.96 3kc1 h TYR 286 Cb 0.38 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.47 3kc1 h TYR 286 CO 0.03 0.65 0.22 0.28 -1.64 0.00 0.00 178.16 177.70 3kc1 h VAL 287 N 0.39 1.18 -0.21 1.81 2.07 -1.04 -1.82 116.25 118.63 3kc1 h VAL 287 Ca 0.10 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.14 3kc1 h VAL 287 Cb 0.39 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 3kc1 h VAL 287 CO 0.01 0.19 0.10 0.24 0.02 0.00 0.00 177.57 178.13 3kc1 h MET 288 N 0.58 0.21 -0.60 1.57 2.86 -0.84 -1.83 114.93 116.87 3kc1 h MET 288 Ca 0.15 -0.01 -0.08 0.00 -2.06 0.00 0.00 59.70 57.70 3kc1 h MET 288 Cb 0.10 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.69 3kc1 h MET 288 CO -0.02 0.14 0.05 0.93 1.06 0.00 0.00 176.91 179.07 3kc1 h GLU 289 N 0.22 1.01 0.00 1.72 5.08 -1.03 0.97 114.58 122.55 3kc1 h GLU 289 Ca 0.08 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.14 3kc1 h GLU 289 Cb 0.02 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.15 3kc1 h GLU 289 CO -0.06 0.96 -0.11 0.87 -1.00 0.00 0.00 179.01 179.67 3kc1 h LYS 290 N 0.94 0.00 -0.44 2.33 1.79 -1.14 -1.06 116.57 118.99 3kc1 h LYS 290 Ca 0.18 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.65 3kc1 h LYS 290 Cb 0.47 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 3kc1 h LYS 290 CO 0.02 0.11 0.00 0.00 -1.08 0.00 0.00 179.45 178.50 3kc1 n ALA 291 N -2.23 2.44 -1.14 3.86 0.00 -0.70 -4.50 120.51 118.23 3kc1 n ALA 291 Ca -0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 53.44 52.60 3kc1 n ALA 291 Cb 0.26 -0.97 -0.00 0.00 0.00 0.00 0.00 19.45 18.74 3kc1 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc1 n GLY 292 N 1.28 0.38 0.00 0.00 0.00 -0.40 -0.98 105.19 105.47 3kc1 n GLY 292 Ca 0.17 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.12 3kc1 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc1 n GLY 293 N -2.71 2.60 3.20 -0.02 0.00 0.33 -4.51 105.19 104.08 3kc1 n GLY 293 Ca -0.00 -2.15 -0.13 0.00 0.00 0.00 0.00 46.02 43.74 3kc1 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kc1 s MET 294 N -1.89 0.92 -0.26 1.61 1.00 -0.60 -3.88 119.30 116.20 3kc1 s MET 294 Ca 0.00 -1.33 -0.03 0.00 0.00 0.00 0.00 55.69 54.33 3kc1 s MET 294 Cb 0.00 -0.43 0.14 0.00 0.00 0.00 0.00 34.83 34.54 3kc1 s MET 294 CO 0.00 0.04 0.45 0.00 0.00 0.00 0.00 175.02 175.51 3kc1 s ALA 295 N -3.24 -1.43 0.18 3.03 0.00 -1.26 -1.08 121.76 117.96 3kc1 s ALA 295 Ca 0.12 1.26 0.08 0.00 0.00 0.00 0.00 51.96 53.41 3kc1 s ALA 295 Cb 0.02 -1.77 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3kc1 s ALA 295 CO -0.02 -1.22 -0.16 -0.08 0.00 0.00 0.00 175.76 174.29 3kc1 s THR 296 N 2.64 1.72 -1.18 0.00 -1.32 0.34 -1.85 115.64 115.99 3kc1 s THR 296 Ca 0.13 -2.05 0.24 0.00 -1.21 0.00 0.00 61.69 58.80 3kc1 s THR 296 Cb -0.15 -1.91 -0.00 0.00 -1.51 0.00 0.00 72.50 68.93 3kc1 s THR 296 CO -0.17 -0.48 1.32 0.35 -2.21 0.00 0.00 174.62 173.43 3kc1 n THR 297 N -0.04 0.00 0.00 5.08 -2.24 -0.10 -0.72 114.28 116.26 3kc1 n THR 297 Ca -0.11 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kc1 n THR 297 Cb 0.59 0.48 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 3kc1 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc1 n GLY 298 N 1.47 2.45 0.12 3.38 0.00 -1.26 -4.72 105.19 106.63 3kc1 n GLY 298 Ca 0.06 -0.64 -0.15 0.00 0.00 0.00 0.00 46.02 45.29 3kc1 n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc1 n LYS 299 N 0.00 0.68 -3.92 1.61 4.81 -1.26 -4.96 118.16 115.12 3kc1 n LYS 299 Ca 0.00 0.14 -0.08 0.00 -0.87 0.00 0.00 58.31 57.49 3kc1 n LYS 299 Cb 0.00 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.44 3kc1 n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3kc1 s GLU 300 N -2.53 1.75 0.26 1.64 -1.05 -1.26 -5.14 118.70 112.38 3kc1 s GLU 300 Ca -0.23 -1.18 -0.30 0.00 -0.15 0.00 0.00 54.97 53.11 3kc1 s GLU 300 Cb 0.08 0.55 -0.10 0.00 -0.44 0.00 0.00 34.13 34.22 3kc1 s GLU 300 CO 0.71 -0.78 1.36 0.00 0.95 0.00 0.00 175.26 177.51 3kc1 s ALA 301 N -3.73 3.56 0.27 -0.84 0.00 -1.26 -0.92 121.76 118.83 3kc1 s ALA 301 Ca 0.17 1.25 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 3kc1 s ALA 301 Cb -0.04 -3.51 0.56 0.00 0.00 0.00 0.00 23.12 20.14 3kc1 s ALA 301 CO 0.09 -0.65 1.75 0.28 0.00 0.00 0.00 175.76 177.23 3kc1 h VAL 302 N 3.44 0.69 0.00 0.00 2.07 -1.67 -0.77 116.25 120.02 3kc1 h VAL 302 Ca -0.46 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 66.85 3kc1 h VAL 302 Cb 1.22 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.04 3kc1 h VAL 302 CO 0.74 0.11 0.00 -0.07 0.02 0.00 0.00 177.57 178.37 3kc1 h LEU 303 N 0.59 0.00 -0.49 2.57 4.07 -1.90 -2.51 115.31 117.64 3kc1 h LEU 303 Ca 0.48 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.44 3kc1 h LEU 303 Cb 0.72 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.46 3kc1 h LEU 303 CO -0.39 0.00 -0.46 0.47 -1.08 0.00 0.00 178.44 176.98 3kc1 n ASP 304 N -2.98 1.22 -4.70 -0.43 8.00 -0.30 -0.81 116.55 116.56 3kc1 n ASP 304 Ca -0.02 -0.98 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 3kc1 n ASP 304 Cb 0.11 0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 41.55 3kc1 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kc1 s VAL 305 N -2.64 3.24 -0.49 2.53 1.01 -0.94 -4.95 120.40 118.15 3kc1 s VAL 305 Ca 0.18 0.78 -0.19 0.00 0.00 0.00 0.00 61.98 62.76 3kc1 s VAL 305 Cb 0.18 -3.50 0.06 0.00 0.00 0.00 0.00 36.38 33.12 3kc1 s VAL 305 CO 0.61 0.03 0.58 -0.63 0.00 0.00 0.00 175.10 175.69 3kc1 s ILE 306 N 1.91 4.94 0.54 2.22 1.01 -1.26 -4.33 121.20 126.23 3kc1 s ILE 306 Ca 0.68 -0.54 -0.20 0.00 0.00 0.00 0.00 60.65 60.59 3kc1 s ILE 306 Cb -0.37 -4.25 -0.05 0.00 0.01 0.00 0.00 42.46 37.79 3kc1 s ILE 306 CO 0.30 -0.74 1.17 -2.16 0.00 0.00 0.00 174.94 173.51 3kc1 s PRO 307 N 2.46 3.29 0.00 2.79 0.04 -1.26 -4.95 135.00 137.37 3kc1 s PRO 307 Ca 0.14 1.73 0.00 0.00 0.04 0.00 0.00 61.00 62.91 3kc1 s PRO 307 Cb -0.20 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.29 3kc1 s PRO 307 CO 0.12 -0.93 0.08 0.25 0.04 0.00 0.00 177.00 176.56 3kc1 n THR 308 N -1.24 0.00 -3.71 1.26 -2.24 -1.26 -4.80 114.28 102.29 3kc1 n THR 308 Ca 0.11 -0.39 -0.15 0.00 -2.27 0.00 0.00 64.05 61.35 3kc1 n THR 308 Cb 0.50 1.05 -0.15 0.00 -2.10 0.00 0.00 70.33 69.62 3kc1 n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kc1 s ASP 309 N -0.61 0.35 0.62 3.42 3.68 -1.26 -5.04 116.67 117.82 3kc1 s ASP 309 Ca 0.00 0.31 0.32 0.00 2.13 0.00 0.00 52.55 55.31 3kc1 s ASP 309 Cb 0.00 0.22 1.81 0.00 -1.45 0.00 0.00 42.92 43.51 3kc1 s ASP 309 CO 0.00 -0.20 2.13 0.16 0.13 0.00 0.00 175.17 177.40 3kc1 h ILE 310 N 6.23 0.31 -0.32 4.11 3.07 -1.93 -1.51 117.51 127.47 3kc1 h ILE 310 Ca -0.28 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.13 3kc1 h ILE 310 Cb 1.13 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 38.53 3kc1 h ILE 310 CO 0.28 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.79 3kc1 n HIS 311 N -3.53 0.80 -2.02 0.16 8.25 -1.26 -4.48 115.22 113.15 3kc1 n HIS 311 Ca -0.00 -0.71 -0.36 0.00 -0.26 0.00 0.00 57.72 56.38 3kc1 n HIS 311 Cb 0.27 -0.20 0.03 0.00 1.12 0.00 0.00 29.99 31.21 3kc1 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kc1 s GLN 312 N -2.06 3.08 0.49 -0.41 -2.07 -0.57 -4.83 119.66 113.28 3kc1 s GLN 312 Ca 0.35 1.87 -0.01 0.00 -1.82 0.00 0.00 55.36 55.75 3kc1 s GLN 312 Cb 0.26 -2.01 0.00 0.00 -1.09 0.00 0.00 33.01 30.17 3kc1 s GLN 312 CO 0.12 -1.13 0.73 1.03 -1.32 0.00 0.00 175.29 174.72 3kc1 s ARG 313 N -3.22 2.96 -0.22 9.60 0.52 -1.26 -1.52 118.95 125.82 3kc1 s ARG 313 Ca 0.75 -0.43 -0.19 0.00 -0.52 0.00 0.00 55.73 55.35 3kc1 s ARG 313 Cb -0.31 -2.49 0.06 0.00 0.52 0.00 0.00 34.95 32.73 3kc1 s ARG 313 CO 0.35 -0.42 0.58 0.00 0.02 0.00 0.00 175.30 175.82 3kc1 s ALA 314 N -2.68 -1.45 0.57 2.13 0.00 0.04 -4.66 121.76 115.71 3kc1 s ALA 314 Ca 0.51 1.71 -0.16 0.00 0.00 0.00 0.00 51.96 54.02 3kc1 s ALA 314 Cb -0.10 -1.00 -0.05 0.00 0.00 0.00 0.00 23.12 21.97 3kc1 s ALA 314 CO 0.39 -0.28 1.04 -1.25 0.00 0.00 0.00 175.76 175.66 3kc1 s PRO 315 N 0.54 3.49 -0.17 0.00 0.04 -0.92 -4.16 135.00 133.81 3kc1 s PRO 315 Ca -0.02 1.12 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 3kc1 s PRO 315 Cb -0.05 -2.06 0.05 0.00 0.04 0.00 0.00 34.50 32.49 3kc1 s PRO 315 CO -0.02 -0.67 0.42 0.54 0.04 0.00 0.00 177.00 177.31 3kc1 s VAL 316 N -2.53 -0.01 -0.11 -0.36 0.11 -0.98 -4.27 120.40 112.26 3kc1 s VAL 316 Ca 0.62 0.05 -0.02 0.00 -2.93 0.00 0.00 61.98 59.70 3kc1 s VAL 316 Cb -0.14 -0.61 0.04 0.00 -1.53 0.00 0.00 36.38 34.13 3kc1 s VAL 316 CO 0.36 0.02 0.00 -0.63 -3.33 0.00 0.00 175.10 171.52 3kc1 s ILE 317 N 0.84 0.48 0.20 7.04 1.09 0.10 -1.33 121.20 129.62 3kc1 s ILE 317 Ca -0.05 -0.09 -0.02 0.00 -1.10 0.00 0.00 60.65 59.40 3kc1 s ILE 317 Cb -0.06 -0.71 -0.04 0.00 -1.06 0.00 0.00 42.46 40.59 3kc1 s ILE 317 CO -0.07 0.16 0.14 -1.48 -0.10 0.00 0.00 174.94 173.60 3kc1 s LEU 318 N 1.92 1.13 0.00 2.97 0.05 -0.54 -0.51 118.68 123.71 3kc1 s LEU 318 Ca 0.04 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.86 3kc1 s LEU 318 Cb -0.13 0.45 0.00 0.00 -2.05 0.00 0.00 46.19 44.45 3kc1 s LEU 318 CO -0.06 -0.85 0.00 0.61 -0.55 0.00 0.00 176.35 175.50 3kc1 n GLY 319 N -0.27 0.61 3.65 -3.48 0.00 -0.24 -0.75 105.19 104.71 3kc1 n GLY 319 Ca 0.02 -1.85 -0.45 0.00 0.00 0.00 0.00 46.02 43.73 3kc1 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kc1 n SER 320 N 0.00 2.48 -0.13 1.61 7.64 0.70 -1.56 113.62 124.35 3kc1 n SER 320 Ca 0.00 1.15 -0.04 0.00 1.01 0.00 0.00 58.87 60.98 3kc1 n SER 320 Cb 0.00 -1.39 0.02 0.00 -1.01 0.00 0.00 64.21 61.83 3kc1 n SER 320 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kc1 h PRO 321 N 3.92 -0.00 -0.33 1.43 0.11 -1.76 -0.96 132.00 134.41 3kc1 h PRO 321 Ca -0.45 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.66 3kc1 h PRO 321 Cb 1.29 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.38 3kc1 h PRO 321 CO 0.74 -0.00 0.19 -0.44 -0.21 0.00 0.00 178.00 178.27 3kc1 h ASP 322 N -0.00 0.39 -0.03 -2.05 5.19 -1.71 0.84 116.42 119.05 3kc1 h ASP 322 Ca 0.21 -0.02 -0.16 0.00 -0.62 0.00 0.00 57.03 56.44 3kc1 h ASP 322 Cb 0.32 -0.10 0.01 0.00 0.18 0.00 0.00 39.33 39.75 3kc1 h ASP 322 CO -0.45 0.31 -0.61 0.44 -3.12 0.00 0.00 179.24 175.81 3kc1 h ASP 323 N 0.45 0.58 -0.54 6.45 3.45 -1.51 -2.13 116.42 123.18 3kc1 h ASP 323 Ca 0.12 -0.73 -0.05 0.00 0.43 0.00 0.00 57.03 56.80 3kc1 h ASP 323 Cb 0.00 -0.18 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 3kc1 h ASP 323 CO -0.02 1.23 0.15 0.58 -1.57 0.00 0.00 179.24 179.61 3kc1 h VAL 324 N -0.01 1.24 -0.80 -1.35 2.07 -0.91 -1.60 116.25 114.88 3kc1 h VAL 324 Ca -0.07 -0.82 0.04 0.00 0.82 0.00 0.00 66.70 66.67 3kc1 h VAL 324 Cb 1.30 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 31.77 3kc1 h VAL 324 CO 0.12 0.30 0.50 -0.07 0.02 0.00 0.00 177.57 178.45 3kc1 h LEU 325 N 0.75 0.82 -0.66 2.57 4.07 -0.89 0.50 115.31 122.46 3kc1 h LEU 325 Ca 0.17 0.00 -0.04 0.00 0.08 0.00 0.00 57.88 58.09 3kc1 h LEU 325 Cb 0.30 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 41.84 3kc1 h LEU 325 CO -0.00 0.55 0.25 -0.08 -1.08 0.00 0.00 178.44 178.08 3kc1 h GLU 326 N 0.96 1.00 -0.33 1.13 4.81 -0.92 -1.15 114.58 120.08 3kc1 h GLU 326 Ca 0.33 -0.19 -0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3kc1 h GLU 326 Cb 0.07 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3kc1 h GLU 326 CO -0.13 0.85 0.19 0.35 -0.73 0.00 0.00 179.01 179.54 3kc1 h PHE 327 N 0.94 0.44 -0.47 0.92 3.57 -0.36 -2.20 116.94 119.79 3kc1 h PHE 327 Ca 0.22 -0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.76 3kc1 h PHE 327 Cb 0.23 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.80 3kc1 h PHE 327 CO 0.02 0.33 0.31 -0.07 -2.23 0.00 0.00 178.31 176.67 3kc1 h LEU 328 N 0.42 0.39 -0.26 0.59 3.38 -0.52 0.13 115.31 119.44 3kc1 h LEU 328 Ca 0.12 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kc1 h LEU 328 Cb 0.03 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3kc1 h LEU 328 CO -0.02 0.26 0.12 0.11 0.09 0.00 0.00 178.44 179.00 3kc1 h LYS 329 N 0.45 0.39 -0.48 1.13 1.57 -0.61 0.47 116.57 119.48 3kc1 h LYS 329 Ca 0.20 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.87 3kc1 h LYS 329 Cb 0.22 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3kc1 h LYS 329 CO -0.05 0.39 0.12 0.28 -0.57 0.00 0.00 179.45 179.62 3kc1 h VAL 330 N 0.29 1.24 -0.51 0.50 2.07 -0.89 -1.88 116.25 117.06 3kc1 h VAL 330 Ca 0.09 -0.82 0.05 0.00 0.82 0.00 0.00 66.70 66.84 3kc1 h VAL 330 Cb 0.14 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.71 3kc1 h VAL 330 CO -0.01 0.29 0.26 0.22 0.02 0.00 0.00 177.57 178.35 3kc1 h TYR 331 N 0.65 0.47 -0.46 1.57 3.20 -0.47 -1.54 116.97 120.39 3kc1 h TYR 331 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.00 3kc1 h TYR 331 Cb 0.32 -0.14 -0.02 0.00 1.54 0.00 0.00 36.73 38.43 3kc1 h TYR 331 CO 0.02 0.23 0.11 0.93 -1.64 0.00 0.00 178.16 177.80 3kc1 h GLU 332 N 0.50 0.69 0.00 1.82 5.08 -0.70 -2.05 114.58 119.93 3kc1 h GLU 332 Ca 0.23 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3kc1 h GLU 332 Cb 0.14 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.28 3kc1 h GLU 332 CO -0.16 0.64 -0.07 -0.22 -1.00 0.00 0.00 179.01 178.19 3kc1 h LYS 333 N 0.67 0.00 -0.58 2.33 3.64 -0.45 -1.09 116.57 121.10 3kc1 h LYS 333 Ca 0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 3kc1 h LYS 333 Cb 0.26 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 3kc1 h LYS 333 CO -0.00 0.07 0.00 0.72 -2.27 0.00 0.00 179.45 177.97 3kc1 n HIS 334 N -4.45 0.76 0.30 1.91 8.25 -0.81 -5.11 115.22 116.07 3kc1 n HIS 334 Ca -0.03 -0.38 0.04 0.00 -0.26 0.00 0.00 57.72 57.09 3kc1 n HIS 334 Cb 0.15 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.29 3kc1 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41