#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc1 s VAL 10 N 0.00 2.30 0.02 2.53 0.11 -1.26 -5.04 120.40 119.06 3kc1 s VAL 10 Ca 0.00 0.17 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 3kc1 s VAL 10 Cb 0.00 -2.99 -0.02 0.00 -1.53 0.00 0.00 36.38 31.84 3kc1 s VAL 10 CO 0.00 -0.05 -0.03 0.21 -3.33 0.00 0.00 175.10 171.90 3kc1 s ASN 11 N -1.61 0.32 0.37 3.54 3.84 -1.26 -5.09 114.94 115.05 3kc1 s ASN 11 Ca 0.79 -0.38 0.09 0.00 0.21 0.00 0.00 52.86 53.57 3kc1 s ASN 11 Cb -0.33 0.06 -0.07 0.00 -0.55 0.00 0.00 41.25 40.36 3kc1 s ASN 11 CO 0.39 -0.20 -0.03 0.42 -2.79 0.00 0.00 177.10 174.89 3kc1 s THR 12 N -1.05 2.24 0.19 -5.21 -4.23 -1.26 -1.73 115.64 104.58 3kc1 s THR 12 Ca -0.10 -2.08 -0.11 0.00 -1.18 0.00 0.00 61.69 58.22 3kc1 s THR 12 Cb -0.07 -2.79 0.11 0.00 1.34 0.00 0.00 72.50 71.08 3kc1 s THR 12 CO -0.00 -0.13 1.78 0.25 -0.54 0.00 0.00 174.62 175.98 3kc1 h LEU 13 N 1.88 0.85 -0.11 4.79 5.85 -1.58 0.61 115.31 127.61 3kc1 h LEU 13 Ca -0.43 -0.12 0.01 0.00 0.84 0.00 0.00 57.88 58.18 3kc1 h LEU 13 Cb 1.25 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.05 3kc1 h LEU 13 CO 0.73 0.73 0.04 0.74 -0.34 0.00 0.00 178.44 180.34 3kc1 h THR 14 N 0.91 0.99 -0.28 1.05 2.02 -1.96 -0.72 112.91 114.91 3kc1 h THR 14 Ca 0.23 -0.03 -0.03 0.00 0.77 0.00 0.00 66.41 67.35 3kc1 h THR 14 Cb 0.10 0.88 -0.01 0.00 -1.74 0.00 0.00 68.15 67.37 3kc1 h THR 14 CO -0.03 0.02 0.07 -0.09 0.37 0.00 0.00 175.52 175.86 3kc1 h ARG 15 N 0.10 0.45 -0.09 6.66 2.43 -1.91 -1.66 114.38 120.36 3kc1 h ARG 15 Ca 0.04 -0.11 0.01 0.00 -0.81 0.00 0.00 59.98 59.12 3kc1 h ARG 15 Cb 0.02 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kc1 h ARG 15 CO -0.04 0.53 -0.00 0.35 -1.51 0.00 0.00 179.97 179.30 3kc1 h PHE 16 N 0.29 -0.00 -0.49 2.20 3.57 -0.75 -1.74 116.94 120.01 3kc1 h PHE 16 Ca 0.09 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.55 3kc1 h PHE 16 Cb 0.28 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.01 3kc1 h PHE 16 CO 0.01 -0.01 0.11 0.28 -2.23 0.00 0.00 178.31 176.48 3kc1 h VAL 17 N 0.03 1.24 -0.85 1.41 2.07 -1.12 -1.94 116.25 117.09 3kc1 h VAL 17 Ca 0.04 -0.86 0.02 0.00 0.82 0.00 0.00 66.70 66.72 3kc1 h VAL 17 Cb 0.05 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3kc1 h VAL 17 CO -0.07 0.31 0.56 -0.03 0.02 0.00 0.00 177.57 178.36 3kc1 h MET 18 N 0.68 1.09 -0.10 1.57 1.85 -1.17 0.30 114.93 119.16 3kc1 h MET 18 Ca 0.15 -0.07 -0.02 0.00 -0.61 0.00 0.00 59.70 59.16 3kc1 h MET 18 Cb 0.34 -0.25 -0.00 0.00 0.43 0.00 0.00 31.60 32.12 3kc1 h MET 18 CO 0.00 0.72 -0.01 1.49 -0.40 0.00 0.00 176.91 178.71 3kc1 h GLU 19 N 1.12 0.18 -0.72 0.39 4.81 -1.13 -0.81 114.58 118.42 3kc1 h GLU 19 Ca 0.32 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.49 3kc1 h GLU 19 Cb -0.09 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.24 3kc1 h GLU 19 CO -0.08 0.46 0.45 0.93 -0.73 0.00 0.00 179.01 180.03 3kc1 h GLU 20 N -0.12 0.97 -0.87 1.92 4.39 -1.17 -2.05 114.58 117.64 3kc1 h GLU 20 Ca 0.03 -0.08 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 3kc1 h GLU 20 Cb 0.38 -0.21 -0.04 0.00 -0.10 0.00 0.00 28.75 28.78 3kc1 h GLU 20 CO 0.01 0.67 0.48 0.78 -1.16 0.00 0.00 179.01 179.79 3kc1 h GLY 21 N 0.98 1.29 1.21 -3.84 0.00 -0.83 -2.41 103.07 99.47 3kc1 h GLY 21 Ca 0.26 -0.58 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3kc1 h GLY 21 CO -0.05 0.55 0.23 3.21 0.00 0.00 0.00 176.54 180.49 3kc1 h ARG 22 N 1.21 1.00 0.00 4.80 2.47 -0.52 -2.32 114.38 121.02 3kc1 h ARG 22 Ca 0.31 -0.19 -0.03 0.00 -1.26 0.00 0.00 59.98 58.81 3kc1 h ARG 22 Cb 0.02 -0.16 -0.00 0.00 -1.65 0.00 0.00 29.97 28.18 3kc1 h ARG 22 CO -0.05 0.84 -0.16 0.87 0.56 0.00 0.00 179.97 182.03 3kc1 h LYS 23 N 0.97 0.00 0.00 0.04 1.57 -0.91 -2.32 116.57 115.91 3kc1 h LYS 23 Ca 0.22 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 3kc1 h LYS 23 Cb 0.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.55 3kc1 h LYS 23 CO -0.01 0.16 0.00 0.00 -0.57 0.00 0.00 179.45 179.03 3kc1 h ALA 24 N 1.84 1.00 -6.36 3.86 0.00 -1.08 -3.47 119.26 115.05 3kc1 h ALA 24 Ca -0.00 0.00 -0.47 0.00 0.00 0.00 0.00 54.91 54.43 3kc1 h ALA 24 Cb 0.57 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.33 3kc1 h ALA 24 CO 0.02 0.00 -0.84 0.54 0.00 0.00 0.00 179.25 178.97 3kc1 n ARG 25 N -2.34 -4.15 0.00 0.00 5.12 -0.88 -4.97 116.66 109.44 3kc1 n ARG 25 Ca 0.05 0.50 0.00 0.00 -1.93 0.00 0.00 57.85 56.47 3kc1 n ARG 25 Cb 0.40 -4.94 0.00 0.00 -1.16 0.00 0.00 32.46 26.76 3kc1 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3kc1 n GLY 26 N -1.75 2.85 0.13 -0.13 0.00 -1.26 -5.03 105.19 100.00 3kc1 n GLY 26 Ca -0.22 -1.81 0.12 0.00 0.00 0.00 0.00 46.02 44.11 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 -1.00 0.00 0.00 -0.55 0.00 0.00 66.41 64.86 3kc1 h THR 27 Cb 0.00 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 68.00 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 1.17 0.57 0.15 5.82 0.00 -1.26 -4.99 105.19 106.64 3kc1 n GLY 28 Ca 0.01 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.90 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 4.62 -0.22 -0.20 1.61 5.08 -1.97 -2.14 114.58 121.36 3kc1 h GLU 29 Ca 0.00 0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3kc1 h GLU 29 Cb 0.00 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 3kc1 h GLU 29 CO 0.00 -0.15 0.13 1.25 -1.00 0.00 0.00 179.01 179.25 3kc1 h LEU 30 N -0.23 0.21 -0.15 1.33 5.85 -1.94 0.15 115.31 120.54 3kc1 h LEU 30 Ca 0.01 -0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kc1 h LEU 30 Cb 0.22 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 3kc1 h LEU 30 CO -0.03 0.15 0.05 0.74 -0.34 0.00 0.00 178.44 179.01 3kc1 h THR 31 N 0.25 1.18 -0.58 1.05 2.02 -1.82 -0.10 112.91 114.91 3kc1 h THR 31 Ca 0.08 -0.55 -0.07 0.00 0.77 0.00 0.00 66.41 66.63 3kc1 h THR 31 Cb 0.01 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 67.66 3kc1 h THR 31 CO -0.02 0.17 0.08 1.56 0.37 0.00 0.00 175.52 177.68 3kc1 h GLN 32 N 0.06 0.94 -0.16 6.66 1.08 -0.63 -0.06 115.11 123.01 3kc1 h GLN 32 Ca 0.05 -0.24 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 3kc1 h GLN 32 Cb 0.22 -0.12 -0.01 0.00 -0.05 0.00 0.00 27.48 27.52 3kc1 h GLN 32 CO -0.00 0.89 0.07 1.25 -0.95 0.00 0.00 178.83 180.09 3kc1 h LEU 33 N 0.89 0.21 -0.73 1.46 6.46 -0.54 -0.85 115.31 122.20 3kc1 h LEU 33 Ca 0.18 -0.13 -0.09 0.00 -0.12 0.00 0.00 57.88 57.72 3kc1 h LEU 33 Cb 0.41 -0.05 -0.02 0.00 -0.73 0.00 0.00 40.66 40.27 3kc1 h LEU 33 CO 0.01 0.28 -0.03 -0.07 -0.62 0.00 0.00 178.44 178.01 3kc1 h LEU 34 N 0.13 0.92 -0.40 2.25 3.38 -0.82 -0.36 115.31 120.42 3kc1 h LEU 34 Ca 0.05 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 3kc1 h LEU 34 Cb 0.12 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 3kc1 h LEU 34 CO -0.01 1.00 0.23 0.78 0.09 0.00 0.00 178.44 180.53 3kc1 h ASN 35 N 0.86 0.49 -0.65 -0.43 -0.26 -0.84 0.77 115.58 115.52 3kc1 h ASN 35 Ca 0.15 -0.08 -0.07 0.00 -0.56 0.00 0.00 56.30 55.75 3kc1 h ASN 35 Cb 0.55 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.66 3kc1 h ASN 35 CO 0.03 0.42 0.14 0.28 -1.06 0.00 0.00 177.43 177.24 3kc1 h SER 36 N 0.52 1.01 -0.66 5.81 0.02 -0.94 -1.45 113.55 117.85 3kc1 h SER 36 Ca 0.14 -0.24 -0.07 0.00 -0.84 0.00 0.00 61.79 60.77 3kc1 h SER 36 Cb 0.03 -0.27 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 3kc1 h SER 36 CO -0.02 0.99 0.13 0.25 -1.14 0.00 0.00 176.83 177.04 3kc1 h LEU 37 N 0.98 1.03 -0.44 5.07 5.85 -0.76 -1.80 115.31 125.25 3kc1 h LEU 37 Ca 0.20 -0.25 0.02 0.00 0.84 0.00 0.00 57.88 58.70 3kc1 h LEU 37 Cb 0.39 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.12 3kc1 h LEU 37 CO 0.01 1.01 0.24 0.00 -0.34 0.00 0.00 178.44 179.36 3kc1 h THR 39 N 0.49 1.16 -0.66 0.00 2.02 -1.02 -1.92 112.91 112.98 3kc1 h THR 39 Ca 0.18 -0.35 0.01 0.00 0.77 0.00 0.00 66.41 67.01 3kc1 h THR 39 Cb 0.04 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 66.87 3kc1 h THR 39 CO -0.10 0.16 0.44 0.00 0.37 0.00 0.00 175.52 176.39 3kc1 h ALA 40 N 1.15 0.83 -0.88 6.16 0.00 -0.78 -2.07 119.26 123.68 3kc1 h ALA 40 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kc1 h ALA 40 Cb -0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3kc1 h ALA 40 CO -0.04 0.26 0.53 0.28 0.00 0.00 0.00 179.25 180.28 3kc1 h VAL 41 N 0.89 1.24 -0.30 0.00 2.07 -0.58 0.61 116.25 120.19 3kc1 h VAL 41 Ca 0.24 -0.53 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3kc1 h VAL 41 Cb -0.10 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.66 3kc1 h VAL 41 CO -0.05 0.25 -0.20 0.11 0.02 0.00 0.00 177.57 177.71 3kc1 h LYS 42 N 1.21 0.55 -0.34 1.57 1.57 -0.94 0.75 116.57 120.93 3kc1 h LYS 42 Ca 0.31 -0.19 -0.17 0.00 -1.87 0.00 0.00 60.65 58.73 3kc1 h LYS 42 Cb -0.05 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3kc1 h LYS 42 CO -0.06 0.72 -0.46 0.00 -0.57 0.00 0.00 179.45 179.08 3kc1 h ALA 43 N 1.30 0.54 -0.42 3.86 0.00 -0.66 -1.30 119.26 122.58 3kc1 h ALA 43 Ca 0.08 -0.48 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3kc1 h ALA 43 Cb 0.62 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 3kc1 h ALA 43 CO 0.04 0.68 0.07 0.82 0.00 0.00 0.00 179.25 180.86 3kc1 h ILE 44 N 0.71 1.24 -0.42 0.00 2.04 -0.59 -2.14 117.51 118.36 3kc1 h ILE 44 Ca 0.04 -0.88 0.02 0.00 1.00 0.00 0.00 64.86 65.04 3kc1 h ILE 44 Cb 1.06 1.00 -0.03 0.00 -0.74 0.00 0.00 36.82 38.10 3kc1 h ILE 44 CO 0.11 0.31 0.24 -1.28 0.00 0.00 0.00 178.15 177.52 3kc1 h SER 45 N 0.56 0.37 -0.39 1.72 0.87 -0.74 0.21 113.55 116.14 3kc1 h SER 45 Ca 0.13 0.01 0.05 0.00 -1.23 0.00 0.00 61.79 60.75 3kc1 h SER 45 Cb 0.38 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.23 3kc1 h SER 45 CO 0.01 0.26 0.14 -1.28 -0.53 0.00 0.00 176.83 175.43 3kc1 h SER 46 N 0.48 0.15 -0.27 6.23 0.87 -1.04 -0.51 113.55 119.46 3kc1 h SER 46 Ca 0.17 0.04 -0.13 0.00 -1.23 0.00 0.00 61.79 60.65 3kc1 h SER 46 Cb 0.04 0.03 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3kc1 h SER 46 CO -0.10 0.12 -0.29 0.00 -0.53 0.00 0.00 176.83 176.03 3kc1 h ALA 47 N 1.25 0.81 -0.76 6.23 0.00 -0.91 -2.72 119.26 123.16 3kc1 h ALA 47 Ca 0.18 -0.40 -0.04 0.00 0.00 0.00 0.00 54.91 54.65 3kc1 h ALA 47 Cb 0.16 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 3kc1 h ALA 47 CO -0.18 0.65 0.32 0.28 0.00 0.00 0.00 179.25 180.31 3kc1 h VAL 48 N 0.66 1.25 0.00 0.00 2.07 -0.12 -0.49 116.25 119.62 3kc1 h VAL 48 Ca 0.08 -0.77 0.00 0.00 0.82 0.00 0.00 66.70 66.82 3kc1 h VAL 48 Cb 0.82 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 30.92 3kc1 h VAL 48 CO 0.07 0.32 0.00 0.54 0.02 0.00 0.00 177.57 178.52 3kc1 n ARG 49 N -4.33 0.67 -2.72 1.57 3.00 -0.24 -4.88 116.66 109.73 3kc1 n ARG 49 Ca 0.07 0.00 -0.14 0.00 -0.01 0.00 0.00 57.85 57.77 3kc1 n ARG 49 Cb 0.17 -1.31 0.02 0.00 0.00 0.00 0.00 32.46 31.35 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 -3.00 -2.00 5.56 4.76 -0.19 -4.99 118.16 117.50 3kc1 n LYS 50 Ca 0.10 0.56 -0.42 0.00 -2.87 0.00 0.00 58.31 55.68 3kc1 n LYS 50 Cb 0.05 -4.68 -0.03 0.00 -1.84 0.00 0.00 35.03 28.53 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 -2.92 3.67 0.00 7.82 0.00 -1.04 -2.10 121.76 127.20 3kc1 s ALA 51 Ca 0.18 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.46 3kc1 s ALA 51 Cb -0.08 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.46 3kc1 s ALA 51 CO 0.23 -0.74 0.00 0.41 0.00 0.00 0.00 175.76 175.66 3kc1 n GLY 52 N 2.85 0.86 0.32 0.00 0.00 -1.26 -4.85 105.19 103.10 3kc1 n GLY 52 Ca 0.10 0.00 0.17 0.00 0.00 0.00 0.00 46.02 46.28 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 0.44 -0.77 -0.61 2.10 -1.83 -1.03 117.51 115.81 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 0.94 -0.05 0.00 -1.09 0.00 0.00 36.82 36.62 3kc1 h ILE 53 CO 0.00 0.00 0.51 0.00 -1.08 0.00 0.00 178.15 177.58 3kc1 h ALA 54 N 1.91 1.59 0.00 0.18 0.00 -1.90 -0.64 119.26 120.39 3kc1 h ALA 54 Ca 0.03 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3kc1 h ALA 54 Cb 0.18 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3kc1 h ALA 54 CO -0.00 0.31 -0.33 0.45 0.00 0.00 0.00 179.25 179.68 3kc1 h HIS 55 N 0.89 0.00 0.00 0.00 3.86 -1.59 -2.10 115.15 116.22 3kc1 h HIS 55 Ca 0.32 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.41 3kc1 h HIS 55 Cb 0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.59 3kc1 h HIS 55 CO -0.00 0.33 -0.56 1.25 0.86 0.00 0.00 177.93 179.81 3kc1 h LEU 56 N 0.00 0.00 -3.33 2.43 7.12 -1.19 -3.08 115.31 117.26 3kc1 h LEU 56 Ca -0.00 0.00 -0.10 0.00 0.13 0.00 0.00 57.88 57.90 3kc1 h LEU 56 Cb 0.62 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.69 3kc1 h LEU 56 CO 0.04 0.56 0.13 -1.22 -0.13 0.00 0.00 178.44 177.83 3kc1 n TYR 57 N -3.85 2.01 -1.36 1.25 4.02 -0.83 -4.94 117.16 113.46 3kc1 n TYR 57 Ca -0.01 -0.87 0.00 0.00 -0.01 0.00 0.00 57.90 57.01 3kc1 n TYR 57 Cb 0.57 -0.55 0.00 0.00 -0.02 0.00 0.00 39.34 39.34 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 0.20 0.42 0.27 2.72 0.00 -1.16 -4.96 105.19 102.68 3kc1 n GLY 58 Ca 0.30 -0.96 0.10 0.00 0.00 0.00 0.00 46.02 45.46 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 0.87 -0.47 -0.61 2.10 -1.65 -1.31 117.51 116.43 3kc1 h ILE 59 Ca 0.00 -0.06 0.00 0.00 1.08 0.00 0.00 64.86 65.88 3kc1 h ILE 59 Cb 0.40 1.03 0.00 0.00 -1.09 0.00 0.00 36.82 37.17 3kc1 h ILE 59 CO 0.00 0.02 0.00 0.00 -1.08 0.00 0.00 178.15 177.09 3kc1 n ALA 60 N -2.47 2.70 -0.09 0.18 0.00 -1.26 -5.07 120.51 114.49 3kc1 n ALA 60 Ca -0.03 -1.58 0.00 0.00 0.00 0.00 0.00 53.44 51.84 3kc1 n ALA 60 Cb 0.10 -0.74 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 0.61 0.70 1.50 0.00 0.00 -0.50 -5.21 105.19 102.29 3kc1 n GLY 61 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3kc1 n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc1 n LYS 71 N -2.04 -4.07 -1.69 1.61 4.81 -1.26 -4.74 118.16 110.79 3kc1 n LYS 71 Ca 0.00 2.96 -0.36 0.00 -0.87 0.00 0.00 58.31 60.03 3kc1 n LYS 71 Cb 0.00 -3.19 0.07 0.00 0.02 0.00 0.00 35.03 31.93 3kc1 n LYS 71 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 3kc1 s LYS 72 N -2.16 2.48 0.22 1.64 1.02 -1.26 -4.79 119.74 116.89 3kc1 s LYS 72 Ca 0.00 2.01 -0.09 0.00 0.02 0.00 0.00 55.97 57.91 3kc1 s LYS 72 Cb 0.00 -1.84 0.21 0.00 -0.52 0.00 0.00 37.83 35.68 3kc1 s LYS 72 CO 0.00 -1.64 1.86 -0.07 -0.92 0.00 0.00 175.35 174.59 3kc1 h LEU 73 N 0.40 0.82 -0.84 3.17 -0.00 -1.99 -0.61 115.31 116.26 3kc1 h LEU 73 Ca -0.50 -0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.33 3kc1 h LEU 73 Cb 1.33 -0.18 -0.04 0.00 -0.00 0.00 0.00 40.66 41.77 3kc1 h LEU 73 CO 0.52 0.57 0.38 -2.24 -0.00 0.00 0.00 178.44 177.67 3kc1 h ASP 74 N 0.96 1.12 -0.26 -0.43 3.04 -1.93 0.70 116.42 119.61 3kc1 h ASP 74 Ca 0.31 -0.15 -0.09 0.00 -3.24 0.00 0.00 57.03 53.86 3kc1 h ASP 74 Cb -0.00 -0.29 -0.01 0.00 -1.04 0.00 0.00 39.33 38.00 3kc1 h ASP 74 CO -0.11 0.96 -0.18 0.58 -2.04 0.00 0.00 179.24 178.45 3kc1 h VAL 75 N 1.20 1.31 -0.68 4.15 2.07 -1.84 -1.72 116.25 120.75 3kc1 h VAL 75 Ca 0.28 -1.31 -0.00 0.00 0.82 0.00 0.00 66.70 66.49 3kc1 h VAL 75 Cb 0.16 1.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.49 3kc1 h VAL 75 CO -0.03 0.41 0.41 0.25 0.02 0.00 0.00 177.57 178.64 3kc1 h LEU 76 N 0.30 0.81 -0.63 2.57 5.85 -0.85 -0.70 115.31 122.65 3kc1 h LEU 76 Ca 0.05 -0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3kc1 h LEU 76 Cb 0.72 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.52 3kc1 h LEU 76 CO 0.05 0.62 0.34 0.28 -0.34 0.00 0.00 178.44 179.39 3kc1 h SER 77 N 0.92 0.79 -0.55 1.25 0.02 -0.77 -0.11 113.55 115.11 3kc1 h SER 77 Ca 0.24 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 61.07 3kc1 h SER 77 Cb -0.04 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.27 3kc1 h SER 77 CO -0.05 0.67 0.25 -1.13 -1.14 0.00 0.00 176.83 175.43 3kc1 h ASN 78 N 0.86 0.73 -0.78 3.07 -1.24 -0.93 -1.70 115.58 115.59 3kc1 h ASN 78 Ca 0.22 -0.14 -0.01 0.00 0.71 0.00 0.00 56.30 57.08 3kc1 h ASN 78 Cb 0.05 -0.19 -0.04 0.00 0.73 0.00 0.00 38.32 38.88 3kc1 h ASN 78 CO -0.03 0.66 0.43 0.44 -1.29 0.00 0.00 177.43 177.64 3kc1 h ASP 79 N 0.74 0.97 -0.14 1.15 3.32 -0.66 0.47 116.42 122.27 3kc1 h ASP 79 Ca 0.19 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.14 3kc1 h ASP 79 Cb 0.14 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 3kc1 h ASP 79 CO -0.02 0.78 0.05 -0.07 -1.72 0.00 0.00 179.24 178.26 3kc1 h LEU 80 N 1.08 0.19 -0.08 1.55 3.38 -0.73 -0.52 115.31 120.18 3kc1 h LEU 80 Ca 0.28 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 58.07 3kc1 h LEU 80 Cb 0.02 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 3kc1 h LEU 80 CO -0.05 0.31 0.02 0.58 0.09 0.00 0.00 178.44 179.39 3kc1 h VAL 81 N 0.06 1.20 -0.05 1.22 2.07 -1.15 -1.34 116.25 118.27 3kc1 h VAL 81 Ca 0.05 -0.62 0.03 0.00 0.82 0.00 0.00 66.70 66.97 3kc1 h VAL 81 Cb 0.18 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 3kc1 h VAL 81 CO -0.00 0.18 -0.15 0.24 0.02 0.00 0.00 177.57 177.85 3kc1 h MET 82 N -0.09 -0.22 -0.36 1.57 2.86 -0.88 -0.13 114.93 117.68 3kc1 h MET 82 Ca 0.02 0.01 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 3kc1 h MET 82 Cb 0.26 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.96 3kc1 h MET 82 CO 0.00 -0.15 0.14 -0.97 1.06 0.00 0.00 176.91 176.99 3kc1 h ASN 83 N -0.23 0.51 -0.65 1.22 -0.73 -1.08 -0.81 115.58 113.80 3kc1 h ASN 83 Ca 0.07 -0.18 -0.07 0.00 1.87 0.00 0.00 56.30 58.00 3kc1 h ASN 83 Cb 0.32 -0.13 -0.03 0.00 0.27 0.00 0.00 38.32 38.75 3kc1 h ASN 83 CO -0.19 0.55 0.15 0.24 -0.37 0.00 0.00 177.43 177.81 3kc1 h MET 84 N 0.44 1.05 -0.26 6.67 2.86 -1.11 -1.14 114.93 123.44 3kc1 h MET 84 Ca 0.12 -0.26 -0.04 0.00 -2.06 0.00 0.00 59.70 57.47 3kc1 h MET 84 Cb 0.20 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 3kc1 h MET 84 CO -0.01 0.95 0.02 -0.07 1.06 0.00 0.00 176.91 178.86 3kc1 h LEU 85 N 0.97 0.44 -0.32 1.22 3.38 -0.91 -2.18 115.31 117.92 3kc1 h LEU 85 Ca 0.20 -0.29 0.02 0.00 0.09 0.00 0.00 57.88 57.91 3kc1 h LEU 85 Cb 0.37 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 3kc1 h LEU 85 CO 0.00 0.62 0.17 0.11 0.09 0.00 0.00 178.44 179.43 3kc1 h LYS 86 N 0.25 0.34 0.00 1.13 1.57 -1.05 -1.96 116.57 116.85 3kc1 h LYS 86 Ca 0.08 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 3kc1 h LYS 86 Cb 0.38 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.61 3kc1 h LYS 86 CO 0.01 0.23 0.00 -1.13 -0.57 0.00 0.00 179.45 177.99 3kc1 n SER 87 N -4.93 0.00 0.21 0.86 3.41 -0.44 -2.42 113.62 110.31 3kc1 n SER 87 Ca -0.00 0.05 0.13 0.00 -0.26 0.00 0.00 58.87 58.78 3kc1 n SER 87 Cb 0.06 -0.28 0.29 0.00 -0.26 0.00 0.00 64.21 64.02 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 -0.58 4.04 4.64 -0.68 -3.47 113.55 117.50 3kc1 h SER 88 Ca 0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.07 3kc1 h SER 88 Cb 0.15 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.14 3kc1 h SER 88 CO 0.00 0.00 -0.23 0.49 -0.87 0.00 0.00 176.83 176.22 3kc1 n PHE 89 N -2.95 0.00 0.40 4.77 3.01 -1.01 -4.76 117.46 116.91 3kc1 n PHE 89 Ca 0.04 0.00 0.05 0.00 1.01 0.00 0.00 57.45 58.54 3kc1 n PHE 89 Cb 0.47 -2.46 0.02 0.00 -0.01 0.00 0.00 39.48 37.51 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 1.23 2.62 -2.46 4.37 0.00 -1.26 -3.32 120.51 121.68 3kc1 n ALA 90 Ca -0.12 -0.51 -0.23 0.00 0.00 0.00 0.00 53.44 52.58 3kc1 n ALA 90 Cb 0.48 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.51 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 -1.02 2.10 0.00 0.00 -4.23 -1.26 -1.05 115.64 110.17 3kc1 s THR 91 Ca 0.10 -2.25 0.00 0.00 -1.18 0.00 0.00 61.69 58.35 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 -0.36 0.00 0.00 -0.54 0.00 0.00 174.62 173.89 3kc1 s VAL 93 N -1.17 0.32 -0.14 0.00 1.01 -1.24 -1.87 120.40 117.31 3kc1 s VAL 93 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3kc1 s VAL 93 Cb 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 36.38 35.99 3kc1 s VAL 93 CO 0.00 0.19 -0.13 -0.76 0.00 0.00 0.00 175.10 174.40 3kc1 s LEU 94 N 1.15 1.62 -0.19 3.92 1.43 0.18 -1.44 118.68 125.34 3kc1 s LEU 94 Ca -0.08 -0.45 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3kc1 s LEU 94 Cb -0.14 -1.11 -0.01 0.00 0.03 0.00 0.00 46.19 44.96 3kc1 s LEU 94 CO -0.02 -0.05 -0.06 -0.69 0.23 0.00 0.00 176.35 175.77 3kc1 s VAL 95 N 1.42 3.43 0.09 -1.59 1.01 0.38 -0.39 120.40 124.75 3kc1 s VAL 95 Ca 0.03 -0.49 0.07 0.00 0.00 0.00 0.00 61.98 61.58 3kc1 s VAL 95 Cb -0.13 -2.53 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3kc1 s VAL 95 CO -0.09 0.45 -0.17 -0.55 0.00 0.00 0.00 175.10 174.75 3kc1 s SER 96 N 1.04 2.09 0.39 3.32 0.15 -1.26 -0.20 113.70 119.22 3kc1 s SER 96 Ca 0.00 -0.67 0.28 0.00 0.70 0.00 0.00 55.95 56.27 3kc1 s SER 96 Cb -0.15 -0.09 1.29 0.00 -1.71 0.00 0.00 66.02 65.37 3kc1 s SER 96 CO -0.00 -0.03 1.84 -0.08 1.20 0.00 0.00 173.24 176.18 3kc1 h GLU 97 N 4.11 0.00 0.00 5.44 4.22 -1.93 -2.73 114.58 123.69 3kc1 h GLU 97 Ca -0.43 0.00 -0.11 0.00 0.08 0.00 0.00 59.36 58.90 3kc1 h GLU 97 Cb 1.19 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.42 3kc1 h GLU 97 CO 0.41 0.00 -0.86 0.93 -2.18 0.00 0.00 179.01 177.31 3kc1 h GLU 98 N 0.00 0.00 -5.16 1.92 4.39 -1.95 -3.45 114.58 110.33 3kc1 h GLU 98 Ca 0.00 0.00 -0.66 0.00 0.34 0.00 0.00 59.36 59.04 3kc1 h GLU 98 Cb 0.26 0.00 -0.29 0.00 -0.10 0.00 0.00 28.75 28.63 3kc1 h GLU 98 CO 0.00 0.33 -0.77 -0.51 -1.16 0.00 0.00 179.01 176.89 3kc1 s ASP 99 N -6.06 3.91 0.23 1.42 1.01 -1.03 -5.01 116.67 111.14 3kc1 s ASP 99 Ca 0.01 -0.42 -0.06 0.00 0.71 0.00 0.00 52.55 52.79 3kc1 s ASP 99 Cb 0.08 -1.62 0.39 0.00 1.01 0.00 0.00 42.92 42.77 3kc1 s ASP 99 CO 0.77 0.07 1.73 0.50 0.21 0.00 0.00 175.17 178.45 3kc1 h LYS 100 N 7.43 0.41 -6.16 8.23 3.64 -1.88 -3.42 116.57 124.81 3kc1 h LYS 100 Ca -0.35 -0.02 -0.56 0.00 -1.27 0.00 0.00 60.65 58.45 3kc1 h LYS 100 Cb 1.18 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.85 3kc1 h LYS 100 CO 0.58 0.27 -0.54 -1.01 -2.27 0.00 0.00 179.45 176.49 3kc1 s HIS 101 N -6.05 3.22 0.42 1.91 3.76 -1.26 -4.97 115.29 112.33 3kc1 s HIS 101 Ca -0.13 0.01 -0.25 0.00 -0.15 0.00 0.00 55.06 54.54 3kc1 s HIS 101 Cb 0.19 -1.54 -0.08 0.00 1.11 0.00 0.00 32.58 32.26 3kc1 s HIS 101 CO 0.76 0.52 1.28 0.00 -0.85 0.00 0.00 174.74 176.44 3kc1 s ALA 102 N -1.77 3.19 -0.12 -1.40 0.00 -1.26 -4.84 121.76 115.54 3kc1 s ALA 102 Ca 0.32 1.18 -0.19 0.00 0.00 0.00 0.00 51.96 53.27 3kc1 s ALA 102 Cb -0.10 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3kc1 s ALA 102 CO 0.25 -0.81 0.51 0.42 0.00 0.00 0.00 175.76 176.12 3kc1 s ILE 103 N -1.31 5.16 -0.26 0.00 1.09 0.47 -4.92 121.20 121.43 3kc1 s ILE 103 Ca 0.59 1.01 -0.09 0.00 -1.10 0.00 0.00 60.65 61.05 3kc1 s ILE 103 Cb -0.36 -3.84 -0.04 0.00 -1.06 0.00 0.00 42.46 37.15 3kc1 s ILE 103 CO 0.46 0.30 0.12 -0.63 -0.10 0.00 0.00 174.94 175.09 3kc1 s ILE 104 N 0.79 4.79 0.29 2.92 -1.09 -1.26 -0.65 121.20 126.98 3kc1 s ILE 104 Ca 0.27 -0.01 -0.29 0.00 -2.23 0.00 0.00 60.65 58.39 3kc1 s ILE 104 Cb -0.15 -3.26 -0.10 0.00 -1.58 0.00 0.00 42.46 37.37 3kc1 s ILE 104 CO 0.11 0.31 1.36 -0.69 -1.23 0.00 0.00 174.94 174.80 3kc1 s VAL 105 N 1.61 2.73 0.56 2.92 1.01 -0.78 -4.96 120.40 123.48 3kc1 s VAL 105 Ca 0.07 0.67 -0.21 0.00 0.00 0.00 0.00 61.98 62.50 3kc1 s VAL 105 Cb -0.15 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.76 3kc1 s VAL 105 CO 0.07 0.13 1.32 -1.83 0.00 0.00 0.00 175.10 174.79 3kc1 s GLU 106 N -1.08 3.10 0.30 2.72 -1.05 -1.26 -4.77 118.70 116.66 3kc1 s GLU 106 Ca 0.54 2.13 0.02 0.00 -0.15 0.00 0.00 54.97 57.51 3kc1 s GLU 106 Cb -0.40 -2.19 0.74 0.00 -0.44 0.00 0.00 34.13 31.84 3kc1 s GLU 106 CO 0.48 -1.19 1.60 -1.35 0.95 0.00 0.00 175.26 175.76 3kc1 h PRO 107 N 1.34 0.08 0.00 -4.83 0.11 -1.99 -1.39 132.00 125.33 3kc1 h PRO 107 Ca -0.51 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3kc1 h PRO 107 Cb 1.30 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.39 3kc1 h PRO 107 CO 0.57 0.05 0.00 0.39 -0.21 0.00 0.00 178.00 178.80 3kc1 n GLU 108 N -5.37 0.56 -0.08 1.05 1.02 -1.26 -2.88 120.64 113.67 3kc1 n GLU 108 Ca 0.22 0.02 0.01 0.00 -0.02 0.00 0.00 57.16 57.40 3kc1 n GLU 108 Cb 0.74 -1.50 0.02 0.00 -0.02 0.00 0.00 31.44 30.68 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 -1.05 1.25 -2.47 3.49 5.02 -0.53 -5.05 118.16 118.82 3kc1 n LYS 109 Ca 0.14 -1.23 -0.41 0.00 -2.02 0.00 0.00 58.31 54.79 3kc1 n LYS 109 Cb 0.08 -0.82 -0.04 0.00 -0.02 0.00 0.00 35.03 34.23 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 -0.78 4.61 0.46 1.97 0.52 -1.14 -3.87 118.95 120.72 3kc1 s ARG 110 Ca 0.05 1.80 0.03 0.00 -0.52 0.00 0.00 55.73 57.09 3kc1 s ARG 110 Cb 0.04 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.29 3kc1 s ARG 110 CO 0.00 0.14 0.10 0.20 0.02 0.00 0.00 175.30 175.76 3kc1 s GLY 111 N -0.58 2.86 0.00 -3.53 0.00 0.11 -4.69 107.32 101.49 3kc1 s GLY 111 Ca 0.47 -0.76 0.23 0.00 0.00 0.00 0.00 44.72 44.65 3kc1 s GLY 111 CO 0.39 -1.96 1.71 0.58 0.00 0.00 0.00 173.10 173.82 3kc1 n LYS 112 N -1.08 1.46 -4.02 2.90 2.85 -1.11 -3.23 118.16 115.94 3kc1 n LYS 112 Ca -0.11 -0.69 -0.29 0.00 -1.05 0.00 0.00 58.31 56.17 3kc1 n LYS 112 Cb 0.65 -1.40 -0.05 0.00 -0.65 0.00 0.00 35.03 33.58 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 -1.91 3.29 -0.11 5.58 2.02 -0.22 -0.06 117.35 125.94 3kc1 s TYR 113 Ca 0.34 0.09 0.02 0.00 -0.37 0.00 0.00 57.07 57.15 3kc1 s TYR 113 Cb 0.18 -1.62 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3kc1 s TYR 113 CO 0.28 0.53 -0.17 0.08 -1.57 0.00 0.00 175.55 174.70 3kc1 s VAL 114 N -1.57 2.68 -0.10 0.71 1.01 0.17 -0.84 120.40 122.47 3kc1 s VAL 114 Ca 0.32 -0.80 0.03 0.00 0.00 0.00 0.00 61.98 61.52 3kc1 s VAL 114 Cb -0.12 -2.08 0.01 0.00 0.00 0.00 0.00 36.38 34.19 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 0.25 1.61 -0.14 2.92 1.01 -0.52 -0.33 120.40 125.19 3kc1 s VAL 115 Ca -0.12 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 3kc1 s VAL 115 Cb -0.16 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 3kc1 s VAL 115 CO 0.06 0.46 -0.11 0.00 0.00 0.00 0.00 175.10 175.52 3kc1 s PHE 117 N 0.50 0.07 -0.31 0.00 -0.71 0.72 -0.59 117.98 117.65 3kc1 s PHE 117 Ca -0.08 -0.43 0.04 0.00 -1.04 0.00 0.00 56.93 55.42 3kc1 s PHE 117 Cb -0.15 0.13 0.09 0.00 -1.21 0.00 0.00 43.02 41.87 3kc1 s PHE 117 CO 0.04 -0.72 -0.00 0.34 -1.34 0.00 0.00 175.22 173.53 3kc1 s ASP 118 N -2.88 4.65 0.22 1.98 2.15 -0.03 -2.81 116.67 119.96 3kc1 s ASP 118 Ca 0.09 -1.90 -0.09 0.00 0.43 0.00 0.00 52.55 51.08 3kc1 s ASP 118 Cb 0.02 -1.60 0.35 0.00 -0.30 0.00 0.00 42.92 41.39 3kc1 s ASP 118 CO -0.06 -0.32 1.67 -0.65 -0.17 0.00 0.00 175.17 175.64 3kc1 h PRO 119 N 7.67 0.17 -1.95 4.34 0.11 -1.87 -1.97 132.00 138.50 3kc1 h PRO 119 Ca -0.09 -0.01 -0.41 0.00 0.11 0.00 0.00 66.00 65.60 3kc1 h PRO 119 Cb 1.03 -0.04 -0.31 0.00 0.11 0.00 0.00 31.00 31.79 3kc1 h PRO 119 CO 0.50 0.11 -0.75 -1.17 -0.21 0.00 0.00 178.00 176.48 3kc1 s LEU 120 N -10.64 0.21 0.15 2.35 2.96 -1.25 -4.32 118.68 108.14 3kc1 s LEU 120 Ca -0.13 -2.11 -0.31 0.00 -0.22 0.00 0.00 54.13 51.35 3kc1 s LEU 120 Cb 0.20 0.43 -0.09 0.00 0.50 0.00 0.00 46.19 47.22 3kc1 s LEU 120 CO 0.74 -0.20 1.50 -0.62 -1.32 0.00 0.00 176.35 176.45 3kc1 s ASP 121 N 0.88 6.68 0.00 3.68 2.15 0.38 -2.84 116.67 127.59 3kc1 s ASP 121 Ca 0.24 2.51 0.00 0.00 0.43 0.00 0.00 52.55 55.73 3kc1 s ASP 121 Cb -0.07 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.96 3kc1 s ASP 121 CO -0.08 -0.76 0.00 0.61 -0.17 0.00 0.00 175.17 174.77 3kc1 n GLY 122 N 3.61 0.67 0.30 2.66 0.00 -1.26 -1.80 105.19 109.38 3kc1 n GLY 122 Ca 0.13 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.34 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 -0.97 1.61 4.64 -1.88 -3.03 113.55 113.92 3kc1 h SER 123 Ca 0.00 0.00 0.08 0.00 -0.47 0.00 0.00 61.79 61.40 3kc1 h SER 123 Cb 0.00 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.02 3kc1 h SER 123 CO 0.00 0.00 0.61 0.28 -0.87 0.00 0.00 176.83 176.86 3kc1 h SER 124 N 0.00 0.95 -0.40 4.97 0.02 -1.92 -1.98 113.55 115.19 3kc1 h SER 124 Ca -0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 3kc1 h SER 124 Cb 0.30 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.66 3kc1 h SER 124 CO 0.00 0.58 0.00 -3.20 -1.14 0.00 0.00 176.83 173.07 3kc1 n ASN 125 N -4.57 4.50 0.31 3.07 5.15 -1.15 -4.67 115.26 117.91 3kc1 n ASN 125 Ca 0.16 -2.87 0.21 0.00 -0.60 0.00 0.00 54.58 51.48 3kc1 n ASN 125 Cb 0.24 -0.57 1.11 0.00 -0.53 0.00 0.00 39.78 40.03 3kc1 n ASN 125 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 3kc1 h ILE 126 N 2.74 0.00 0.00 -1.44 2.10 -1.34 -2.66 117.51 116.91 3kc1 h ILE 126 Ca 0.00 -0.04 -0.00 0.00 1.08 0.00 0.00 64.86 65.89 3kc1 h ILE 126 Cb 1.57 0.99 -0.00 0.00 -1.09 0.00 0.00 36.82 38.29 3kc1 h ILE 126 CO 0.29 0.00 -0.01 0.44 -1.08 0.00 0.00 178.15 177.79 3kc1 h ASP 127 N 0.00 0.00 -0.46 2.19 5.19 -1.83 0.17 116.42 121.69 3kc1 h ASP 127 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3kc1 h ASP 127 Cb 0.05 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.56 3kc1 h ASP 127 CO 0.00 0.01 0.00 0.00 -3.12 0.00 0.00 179.24 176.13 3kc1 n LEU 129 N 0.82 -1.58 -4.75 0.00 4.77 0.60 -4.97 117.00 111.90 3kc1 n LEU 129 Ca 0.16 0.21 -0.35 0.00 -0.03 0.00 0.00 56.01 55.99 3kc1 n LEU 129 Cb 0.43 -2.59 0.05 0.00 -2.33 0.00 0.00 43.42 38.99 3kc1 n LEU 129 CO 0.11 -0.56 0.82 0.54 -1.33 0.00 0.00 177.39 176.98 3kc1 s VAL 130 N -2.79 2.62 0.42 4.08 0.11 -1.26 -4.93 120.40 118.65 3kc1 s VAL 130 Ca 0.00 0.35 -0.26 0.00 -2.93 0.00 0.00 61.98 59.14 3kc1 s VAL 130 Cb 0.00 -3.05 -0.10 0.00 -1.53 0.00 0.00 36.38 31.71 3kc1 s VAL 130 CO 0.00 -0.11 1.37 -1.20 -3.33 0.00 0.00 175.10 171.82 3kc1 n SER 131 N -1.96 3.04 -4.28 3.54 7.64 -1.26 -4.83 113.62 115.51 3kc1 n SER 131 Ca 0.13 1.14 -0.19 0.00 1.01 0.00 0.00 58.87 60.95 3kc1 n SER 131 Cb 0.50 -1.56 -0.10 0.00 -1.01 0.00 0.00 64.21 62.04 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 -1.18 0.70 0.26 0.44 -7.23 -1.20 -4.75 120.40 107.44 3kc1 s VAL 132 Ca 0.60 -2.00 -0.20 0.00 -1.81 0.00 0.00 61.98 58.57 3kc1 s VAL 132 Cb -0.48 -2.63 0.06 0.00 0.56 0.00 0.00 36.38 33.89 3kc1 s VAL 132 CO 0.59 0.00 0.93 -0.83 -0.31 0.00 0.00 175.10 175.47 3kc1 s GLY 133 N -3.41 0.15 -0.10 2.32 0.00 -0.74 -0.39 107.32 105.16 3kc1 s GLY 133 Ca 0.36 -0.43 0.04 0.00 0.00 0.00 0.00 44.72 44.69 3kc1 s GLY 133 CO 0.15 1.05 -0.24 -1.59 0.00 0.00 0.00 173.10 172.47 3kc1 s THR 134 N -2.44 2.09 -0.02 0.90 2.01 0.07 0.14 115.64 118.39 3kc1 s THR 134 Ca 0.18 -1.01 0.06 0.00 0.31 0.00 0.00 61.69 61.23 3kc1 s THR 134 Cb -0.04 -1.79 -0.02 0.00 0.01 0.00 0.00 72.50 70.66 3kc1 s THR 134 CO 0.07 0.56 -0.20 -0.63 -0.69 0.00 0.00 174.62 173.73 3kc1 s ILE 135 N 0.29 2.59 0.01 1.82 1.01 -0.74 -0.27 121.20 125.90 3kc1 s ILE 135 Ca -0.17 -0.98 -0.10 0.00 0.00 0.00 0.00 60.65 59.40 3kc1 s ILE 135 Cb -0.18 -1.99 0.01 0.00 0.01 0.00 0.00 42.46 40.32 3kc1 s ILE 135 CO 0.08 0.53 0.19 0.72 0.00 0.00 0.00 174.94 176.47 3kc1 s PHE 136 N -0.72 -0.01 -0.02 3.97 -0.12 -0.62 -0.85 117.98 119.60 3kc1 s PHE 136 Ca 0.11 -0.06 0.00 0.00 -0.05 0.00 0.00 56.93 56.94 3kc1 s PHE 136 Cb -0.10 -0.01 0.03 0.00 -0.63 0.00 0.00 43.02 42.31 3kc1 s PHE 136 CO 0.01 -0.34 0.03 0.20 -0.05 0.00 0.00 175.22 175.06 3kc1 s GLY 137 N -1.52 0.11 -0.14 1.99 0.00 0.24 -1.68 107.32 106.32 3kc1 s GLY 137 Ca -0.13 0.28 0.01 0.00 0.00 0.00 0.00 44.72 44.89 3kc1 s GLY 137 CO 0.01 0.65 -0.19 -0.42 0.00 0.00 0.00 173.10 173.16 3kc1 s ILE 138 N 1.02 2.39 0.22 0.90 1.01 0.70 -1.17 121.20 126.27 3kc1 s ILE 138 Ca -0.09 -0.87 0.12 0.00 0.00 0.00 0.00 60.65 59.81 3kc1 s ILE 138 Cb -0.12 -1.98 -0.05 0.00 0.01 0.00 0.00 42.46 40.32 3kc1 s ILE 138 CO -0.03 0.53 -0.23 -0.31 0.00 0.00 0.00 174.94 174.91 3kc1 s TYR 139 N 0.75 2.30 -0.12 3.97 1.51 0.55 -0.98 117.35 125.33 3kc1 s TYR 139 Ca -0.08 -0.35 -0.16 0.00 -1.01 0.00 0.00 57.07 55.47 3kc1 s TYR 139 Cb -0.16 -1.10 -0.04 0.00 -0.11 0.00 0.00 41.96 40.54 3kc1 s TYR 139 CO 0.00 0.56 0.41 0.50 -1.11 0.00 0.00 175.55 175.91 3kc1 s ARG 140 N -2.89 4.26 0.15 -0.62 3.52 -1.26 0.44 118.95 122.56 3kc1 s ARG 140 Ca 0.23 0.34 -0.32 0.00 -0.13 0.00 0.00 55.73 55.85 3kc1 s ARG 140 Cb -0.07 -3.41 -0.12 0.00 -1.56 0.00 0.00 34.95 29.79 3kc1 s ARG 140 CO 0.11 0.25 1.74 1.17 -0.81 0.00 0.00 175.30 177.76 3kc1 n LYS 141 N 3.42 2.61 0.02 5.12 4.81 0.92 -4.86 118.16 130.19 3kc1 n LYS 141 Ca -0.09 0.95 0.11 0.00 -0.87 0.00 0.00 58.31 58.40 3kc1 n LYS 141 Cb 0.52 -2.79 -0.13 0.00 0.02 0.00 0.00 35.03 32.64 3kc1 n LYS 141 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 3kc1 n LYS 142 N 4.61 0.64 -2.34 1.64 4.81 -1.26 -4.98 118.16 121.27 3kc1 n LYS 142 Ca 0.17 -0.12 -0.26 0.00 -0.87 0.00 0.00 58.31 57.23 3kc1 n LYS 142 Cb 0.34 -1.59 0.05 0.00 0.02 0.00 0.00 35.03 33.85 3kc1 n LYS 142 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3kc1 s SER 143 N -4.69 5.22 0.00 3.14 1.04 -1.26 -5.01 113.70 112.14 3kc1 s SER 143 Ca -0.06 0.52 0.09 0.00 0.48 0.00 0.00 55.95 56.98 3kc1 s SER 143 Cb 0.13 -1.36 0.10 0.00 0.10 0.00 0.00 66.02 64.99 3kc1 s SER 143 CO 0.88 -1.30 0.85 0.41 0.98 0.00 0.00 173.24 175.06 3kc1 n THR 144 N -2.70 0.15 -1.88 2.02 -1.04 -1.26 -5.03 114.28 104.54 3kc1 n THR 144 Ca 0.06 -0.57 0.00 0.00 -2.04 0.00 0.00 64.05 61.50 3kc1 n THR 144 Cb 0.59 1.09 0.00 0.00 -1.82 0.00 0.00 70.33 70.19 3kc1 n THR 144 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 3kc1 n ASP 145 N 0.49 0.00 -4.75 8.00 5.75 -1.26 -5.04 116.55 119.73 3kc1 n ASP 145 Ca 0.06 -0.94 -0.41 0.00 -0.01 0.00 0.00 54.79 53.49 3kc1 n ASP 145 Cb 0.25 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.30 3kc1 n ASP 145 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 3kc1 s GLU 146 N -2.31 4.65 0.17 0.11 2.12 -1.26 -4.95 118.70 117.24 3kc1 s GLU 146 Ca 0.00 1.73 -0.33 0.00 0.36 0.00 0.00 54.97 56.73 3kc1 s GLU 146 Cb 0.00 -3.24 -0.15 0.00 0.26 0.00 0.00 34.13 31.01 3kc1 s GLU 146 CO 0.00 0.20 1.38 -2.30 -0.54 0.00 0.00 175.26 173.99 3kc1 n PRO 147 N 1.71 1.67 -4.01 4.30 -0.02 -1.26 -4.98 135.00 132.41 3kc1 n PRO 147 Ca 0.00 0.60 -0.12 0.00 -2.02 0.00 0.00 63.50 61.96 3kc1 n PRO 147 Cb 0.46 -2.24 -0.03 0.00 -0.02 0.00 0.00 33.50 31.66 3kc1 n PRO 147 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3kc1 s SER 148 N 0.41 0.42 0.51 2.55 1.04 -1.26 -5.01 113.70 112.37 3kc1 s SER 148 Ca 0.75 -1.25 0.19 0.00 0.48 0.00 0.00 55.95 56.13 3kc1 s SER 148 Cb -0.77 0.68 1.29 0.00 0.10 0.00 0.00 66.02 67.32 3kc1 s SER 148 CO 0.47 -1.32 2.07 -0.08 0.98 0.00 0.00 173.24 175.35 3kc1 h GLU 149 N 2.13 0.05 -0.08 4.02 4.81 -1.93 -1.86 114.58 121.72 3kc1 h GLU 149 Ca -0.28 -0.00 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 3kc1 h GLU 149 Cb 1.25 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.61 3kc1 h GLU 149 CO 0.38 0.03 0.06 0.87 -0.73 0.00 0.00 179.01 179.62 3kc1 h LYS 150 N 0.05 0.00 0.00 1.92 1.79 -1.97 -1.50 116.57 116.86 3kc1 h LYS 150 Ca 0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.60 3kc1 h LYS 150 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.11 3kc1 h LYS 150 CO -0.01 0.00 0.00 -0.44 -1.08 0.00 0.00 179.45 177.92 3kc1 h ASP 151 N 0.00 0.00 0.06 0.86 3.32 -1.73 -1.66 116.42 117.27 3kc1 h ASP 151 Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 3kc1 h ASP 151 Cb 0.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.71 3kc1 h ASP 151 CO -0.00 0.00 -0.16 0.00 -1.72 0.00 0.00 179.24 177.36 3kc1 n ALA 152 N -1.87 2.87 -2.24 3.45 0.00 -0.56 -4.49 120.51 117.67 3kc1 n ALA 152 Ca 0.01 -0.51 -0.41 0.00 0.00 0.00 0.00 53.44 52.54 3kc1 n ALA 152 Cb 0.20 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.62 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 0.09 7.67 -4.49 0.00 4.77 -0.62 -4.94 117.00 119.47 3kc1 n LEU 153 Ca 0.14 -5.01 -0.30 0.00 -0.03 0.00 0.00 56.01 50.82 3kc1 n LEU 153 Cb 0.41 -1.32 -0.11 0.00 -2.33 0.00 0.00 43.42 40.07 3kc1 n LEU 153 CO 0.21 1.98 -0.48 -1.10 -1.33 0.00 0.00 177.39 176.66 3kc1 s GLN 154 N -1.89 1.87 0.54 3.23 -0.21 -1.26 -4.67 119.66 117.27 3kc1 s GLN 154 Ca 0.48 -1.13 -0.20 0.00 0.02 0.00 0.00 55.36 54.53 3kc1 s GLN 154 Cb 0.17 -2.15 -0.06 0.00 1.00 0.00 0.00 33.01 31.98 3kc1 s GLN 154 CO -0.08 0.49 1.15 -1.25 -2.12 0.00 0.00 175.29 173.48 3kc1 s PRO 155 N -2.04 3.32 0.65 2.91 0.04 -1.26 -4.69 135.00 133.94 3kc1 s PRO 155 Ca 0.18 1.68 0.33 0.00 0.04 0.00 0.00 61.00 63.23 3kc1 s PRO 155 Cb -0.11 -2.04 1.78 0.00 0.04 0.00 0.00 34.50 34.17 3kc1 s PRO 155 CO 0.10 -0.89 2.03 0.78 0.04 0.00 0.00 177.00 179.06 3kc1 h GLY 156 N 1.24 0.00 2.00 0.56 0.00 -1.51 -0.48 103.07 104.88 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 -0.00 -0.09 0.00 0.00 0.00 176.54 177.02 3kc1 h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.21 -1.56 114.38 126.05 3kc1 h ARG 157 Ca 0.03 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.91 3kc1 h ARG 157 Cb 0.56 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.14 3kc1 h ARG 157 CO -0.00 0.00 -0.14 0.09 2.80 0.00 0.00 179.97 182.72 3kc1 n ASN 158 N -3.47 0.80 -4.68 -3.80 5.03 -0.19 -4.96 115.26 104.00 3kc1 n ASN 158 Ca -0.03 -0.85 -0.43 0.00 0.87 0.00 0.00 54.58 54.13 3kc1 n ASN 158 Cb 0.08 0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 38.84 3kc1 n ASN 158 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 3kc1 n LEU 159 N -0.67 3.29 -0.08 3.41 4.77 -0.59 -4.66 117.00 122.47 3kc1 n LEU 159 Ca 0.15 1.18 -0.06 0.00 -0.03 0.00 0.00 56.01 57.25 3kc1 n LEU 159 Cb 0.31 -1.45 -0.16 0.00 -2.33 0.00 0.00 43.42 39.78 3kc1 n LEU 159 CO 0.23 -0.53 -1.02 1.33 -1.33 0.00 0.00 177.39 176.06 3kc1 n VAL 160 N 0.91 1.18 -3.54 4.08 0.24 -0.15 -4.99 118.33 116.07 3kc1 n VAL 160 Ca 0.07 -0.79 -0.17 0.00 -2.04 0.00 0.00 64.34 61.42 3kc1 n VAL 160 Cb 0.34 -0.43 -0.06 0.00 -1.47 0.00 0.00 33.84 32.22 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 -1.79 0.12 2.33 0.00 -1.19 -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 -0.22 0.07 0.00 0.00 0.00 0.00 23.12 23.05 3kc1 s ALA 161 CO 0.84 -0.36 0.76 0.00 0.00 0.00 0.00 175.76 177.01 3kc1 s ALA 162 N -1.01 -1.62 0.00 0.00 0.00 -0.51 -0.22 121.76 118.40 3kc1 s ALA 162 Ca -0.09 0.49 0.00 0.00 0.00 0.00 0.00 51.96 52.36 3kc1 s ALA 162 Cb -0.01 0.69 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3kc1 s ALA 162 CO 0.08 -0.82 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3kc1 n GLY 163 N -0.36 -0.54 3.57 0.00 0.00 -0.68 -0.13 105.19 107.04 3kc1 n GLY 163 Ca -0.11 -0.82 -0.08 0.00 0.00 0.00 0.00 46.02 45.01 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 -3.35 -0.34 -0.12 1.61 1.13 -0.62 -1.59 117.35 114.06 3kc1 s TYR 164 Ca 0.00 0.11 0.03 0.00 -1.41 0.00 0.00 57.07 55.80 3kc1 s TYR 164 Cb 0.00 0.58 0.00 0.00 -1.10 0.00 0.00 41.96 41.45 3kc1 s TYR 164 CO 0.00 -0.77 -0.22 0.00 -2.51 0.00 0.00 175.55 172.05 3kc1 s ALA 165 N -3.43 2.24 -0.22 9.51 0.00 0.63 -0.23 121.76 130.26 3kc1 s ALA 165 Ca 0.06 -1.04 -0.06 0.00 0.00 0.00 0.00 51.96 50.92 3kc1 s ALA 165 Cb -0.02 -0.94 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 3kc1 s ALA 165 CO -0.06 0.10 0.04 -1.17 0.00 0.00 0.00 175.76 174.67 3kc1 s LEU 166 N 0.62 3.42 -1.08 0.00 2.96 0.69 -0.75 118.68 124.53 3kc1 s LEU 166 Ca -0.12 -0.16 -0.07 0.00 -0.22 0.00 0.00 54.13 53.56 3kc1 s LEU 166 Cb -0.16 -1.89 0.28 0.00 0.50 0.00 0.00 46.19 44.92 3kc1 s LEU 166 CO 0.03 0.04 1.16 -1.22 -1.32 0.00 0.00 176.35 175.03 3kc1 n TYR 167 N 4.42 4.56 0.00 5.38 4.01 0.48 -1.65 117.16 134.36 3kc1 n TYR 167 Ca -0.17 -3.67 0.00 0.00 -0.16 0.00 0.00 57.90 53.90 3kc1 n TYR 167 Cb 0.52 -1.55 0.00 0.00 -0.31 0.00 0.00 39.34 38.00 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 2.34 2.67 0.37 2.72 0.00 -1.26 -3.26 105.19 108.76 3kc1 n GLY 168 Ca 0.24 -1.10 0.13 0.00 0.00 0.00 0.00 46.02 45.29 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 0.48 -5.04 1.61 4.64 -2.00 -3.41 113.55 109.83 3kc1 h SER 169 Ca 0.00 0.02 -0.28 0.00 -0.47 0.00 0.00 61.79 61.07 3kc1 h SER 169 Cb 0.00 -0.08 -0.15 0.00 -0.31 0.00 0.00 62.40 61.87 3kc1 h SER 169 CO 0.00 0.26 -0.63 0.00 -0.87 0.00 0.00 176.83 175.59 3kc1 s ALA 170 N -5.50 1.35 -0.22 5.18 0.00 -1.26 -5.14 121.76 116.16 3kc1 s ALA 170 Ca -0.09 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.07 3kc1 s ALA 170 Cb 0.21 1.08 -0.05 0.00 0.00 0.00 0.00 23.12 24.37 3kc1 s ALA 170 CO 0.77 -0.49 0.13 0.99 0.00 0.00 0.00 175.76 177.15 3kc1 s THR 171 N -3.93 5.15 -0.00 0.00 2.01 -1.26 -4.48 115.64 113.13 3kc1 s THR 171 Ca 0.34 0.10 0.04 0.00 0.31 0.00 0.00 61.69 62.48 3kc1 s THR 171 Cb 0.07 -3.38 -0.01 0.00 0.01 0.00 0.00 72.50 69.19 3kc1 s THR 171 CO 0.10 0.39 -0.11 -0.32 -0.69 0.00 0.00 174.62 173.98 3kc1 s MET 172 N 0.82 0.90 -0.21 4.92 -2.45 -0.66 -0.48 119.30 122.15 3kc1 s MET 172 Ca 0.06 -0.43 -0.04 0.00 -1.25 0.00 0.00 55.69 54.04 3kc1 s MET 172 Cb -0.13 -0.87 -0.01 0.00 1.25 0.00 0.00 34.83 35.07 3kc1 s MET 172 CO 0.02 0.24 -0.05 -1.17 1.05 0.00 0.00 175.02 175.11 3kc1 s LEU 173 N -0.35 2.94 -0.25 4.11 2.96 0.48 -0.23 118.68 128.34 3kc1 s LEU 173 Ca 0.04 -0.35 -0.07 0.00 -0.22 0.00 0.00 54.13 53.53 3kc1 s LEU 173 Cb -0.05 -1.74 -0.03 0.00 0.50 0.00 0.00 46.19 44.88 3kc1 s LEU 173 CO -0.00 0.02 0.07 -0.69 -1.32 0.00 0.00 176.35 174.42 3kc1 s VAL 174 N 1.25 4.28 -0.16 1.68 1.01 0.69 -0.90 120.40 128.24 3kc1 s VAL 174 Ca 0.03 -0.19 0.00 0.00 0.00 0.00 0.00 61.98 61.83 3kc1 s VAL 174 Cb -0.14 -3.00 0.00 0.00 0.00 0.00 0.00 36.38 33.24 3kc1 s VAL 174 CO -0.01 0.34 -0.16 -0.22 0.00 0.00 0.00 175.10 175.04 3kc1 s LEU 175 N 1.61 2.40 -0.08 3.92 2.96 -0.38 -1.59 118.68 127.53 3kc1 s LEU 175 Ca 0.06 -0.51 0.03 0.00 -0.22 0.00 0.00 54.13 53.50 3kc1 s LEU 175 Cb -0.15 -1.54 -0.02 0.00 0.50 0.00 0.00 46.19 44.98 3kc1 s LEU 175 CO 0.03 0.07 -0.18 0.00 -1.32 0.00 0.00 176.35 174.96 3kc1 s ALA 176 N 0.92 2.48 0.22 5.97 0.00 0.81 -1.21 121.76 130.95 3kc1 s ALA 176 Ca -0.04 -0.98 -0.03 0.00 0.00 0.00 0.00 51.96 50.92 3kc1 s ALA 176 Cb -0.15 -0.94 0.01 0.00 0.00 0.00 0.00 23.12 22.04 3kc1 s ALA 176 CO -0.02 0.42 0.33 -1.33 0.00 0.00 0.00 175.76 175.15 3kc1 n MET 177 N 2.88 0.47 -0.29 0.00 2.81 -0.66 -1.43 117.12 120.92 3kc1 n MET 177 Ca -0.18 -1.61 0.11 0.00 -1.81 0.00 0.00 57.70 54.22 3kc1 n MET 177 Cb 0.52 1.62 0.35 0.00 -0.71 0.00 0.00 33.22 35.01 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 1.18 0.71 0.35 7.83 3.45 -1.94 -0.31 116.42 127.68 3kc1 h ASP 178 Ca -0.17 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.33 3kc1 h ASP 178 Cb 0.72 -0.10 0.00 0.00 -0.56 0.00 0.00 39.33 39.39 3kc1 h ASP 178 CO 0.23 0.36 0.00 0.00 -1.57 0.00 0.00 179.24 178.26 3kc1 n GLY 180 N 0.02 0.43 3.49 0.00 0.00 -0.13 -4.90 105.19 104.11 3kc1 n GLY 180 Ca 0.06 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.49 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 -0.27 4.00 -0.03 1.61 1.01 -1.26 -1.65 120.40 123.80 3kc1 s VAL 181 Ca 0.00 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 61.70 3kc1 s VAL 181 Cb 0.00 -2.77 -0.00 0.00 0.00 0.00 0.00 36.38 33.61 3kc1 s VAL 181 CO 0.00 0.47 -0.12 0.20 0.00 0.00 0.00 175.10 175.64 3kc1 s ASN 182 N 0.56 1.60 -0.17 3.32 -0.87 -0.35 -0.34 114.94 118.70 3kc1 s ASN 182 Ca -0.02 -0.25 -0.04 0.00 -1.57 0.00 0.00 52.86 50.98 3kc1 s ASN 182 Cb -0.14 -0.41 -0.03 0.00 -0.02 0.00 0.00 41.25 40.65 3kc1 s ASN 182 CO 0.02 0.11 -0.03 0.00 -2.57 0.00 0.00 177.10 174.64 3kc1 s PHE 184 N 0.54 2.45 -0.15 0.00 0.40 -0.08 -1.02 117.98 120.12 3kc1 s PHE 184 Ca -0.02 -0.87 -0.11 0.00 -0.60 0.00 0.00 56.93 55.32 3kc1 s PHE 184 Cb -0.14 -1.63 -0.05 0.00 0.51 0.00 0.00 43.02 41.72 3kc1 s PHE 184 CO 0.02 -0.32 0.22 1.41 0.70 0.00 0.00 175.22 177.26 3kc1 s MET 185 N 0.10 4.05 -0.21 0.44 1.75 0.16 -0.39 119.30 125.20 3kc1 s MET 185 Ca -0.11 -0.02 -0.28 0.00 -1.25 0.00 0.00 55.69 54.02 3kc1 s MET 185 Cb -0.16 -3.36 0.00 0.00 2.84 0.00 0.00 34.83 34.16 3kc1 s MET 185 CO 0.06 0.40 1.01 -1.17 -0.65 0.00 0.00 175.02 174.67 3kc1 s LEU 186 N 0.02 4.12 -0.55 4.11 2.96 0.37 0.15 118.68 129.85 3kc1 s LEU 186 Ca 0.14 1.36 -0.19 0.00 -0.22 0.00 0.00 54.13 55.22 3kc1 s LEU 186 Cb -0.12 -3.50 0.08 0.00 0.50 0.00 0.00 46.19 43.15 3kc1 s LEU 186 CO 0.03 -0.62 0.67 -0.62 -1.32 0.00 0.00 176.35 174.49 3kc1 s ASP 187 N 1.20 6.20 0.56 3.68 -1.08 0.04 -4.65 116.67 122.62 3kc1 s ASP 187 Ca 0.43 -1.16 0.26 0.00 -0.52 0.00 0.00 52.55 51.56 3kc1 s ASP 187 Cb -0.15 -2.30 1.49 0.00 -1.46 0.00 0.00 42.92 40.50 3kc1 s ASP 187 CO 0.08 -1.01 2.03 -0.65 0.52 0.00 0.00 175.17 176.14 3kc1 h PRO 188 N 9.10 0.00 -0.30 4.34 0.11 -1.94 0.24 132.00 143.56 3kc1 h PRO 188 Ca -0.28 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.77 3kc1 h PRO 188 Cb 1.09 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.18 3kc1 h PRO 188 CO 1.03 0.00 -0.08 0.00 -0.21 0.00 0.00 178.00 178.75 3kc1 h ALA 189 N 1.73 1.32 0.00 -0.75 0.00 -1.97 -3.29 119.26 116.30 3kc1 h ALA 189 Ca 0.16 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.84 3kc1 h ALA 189 Cb 0.75 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.41 3kc1 h ALA 189 CO -0.00 0.46 0.00 0.44 0.00 0.00 0.00 179.25 180.15 3kc1 n ILE 190 N -4.24 0.37 -3.71 0.00 -5.35 -0.85 -5.02 119.36 100.55 3kc1 n ILE 190 Ca 0.01 -0.55 -0.22 0.00 -0.27 0.00 0.00 62.75 61.72 3kc1 n ILE 190 Cb 0.29 0.95 0.04 0.00 -1.74 0.00 0.00 39.64 39.17 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 -0.18 -0.33 3.02 3.28 0.00 0.80 -4.99 105.19 106.78 3kc1 n GLY 191 Ca 0.00 0.14 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3kc1 n GLY 191 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3kc1 s GLU 192 N -6.05 1.21 -0.41 1.61 2.56 -1.16 -4.95 118.70 111.50 3kc1 s GLU 192 Ca 0.12 -0.36 -0.24 0.00 0.00 0.00 0.00 54.97 54.49 3kc1 s GLU 192 Cb -0.06 -1.09 0.02 0.00 2.00 0.00 0.00 34.13 35.00 3kc1 s GLU 192 CO 0.81 0.11 0.85 -0.06 -0.56 0.00 0.00 175.26 176.41 3kc1 s PHE 193 N 0.28 3.02 -0.19 5.30 0.08 -1.26 -0.78 117.98 124.44 3kc1 s PHE 193 Ca -0.05 0.45 -0.14 0.00 0.12 0.00 0.00 56.93 57.31 3kc1 s PHE 193 Cb -0.10 -3.67 -0.05 0.00 -0.57 0.00 0.00 43.02 38.63 3kc1 s PHE 193 CO 0.01 -0.91 0.29 0.42 -0.10 0.00 0.00 175.22 174.93 3kc1 s ILE 194 N 3.40 5.29 -0.16 0.64 -1.09 0.12 -1.33 121.20 128.07 3kc1 s ILE 194 Ca 0.34 0.52 -0.29 0.00 -2.23 0.00 0.00 60.65 58.98 3kc1 s ILE 194 Cb -0.12 -3.63 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 3kc1 s ILE 194 CO 0.21 0.35 1.61 -0.22 -1.23 0.00 0.00 174.94 175.66 3kc1 s LEU 195 N 0.78 4.04 -0.00 2.97 2.96 -0.71 0.36 118.68 129.09 3kc1 s LEU 195 Ca 0.15 1.82 0.03 0.00 -0.22 0.00 0.00 54.13 55.92 3kc1 s LEU 195 Cb -0.13 -3.53 -0.04 0.00 0.50 0.00 0.00 46.19 42.98 3kc1 s LEU 195 CO 0.05 -1.13 0.10 1.33 -1.32 0.00 0.00 176.35 175.38 3kc1 n VAL 196 N 6.06 0.00 -3.57 1.68 0.24 -0.19 -4.74 118.33 117.80 3kc1 n VAL 196 Ca 0.18 -0.24 -0.21 0.00 -2.04 0.00 0.00 64.34 62.03 3kc1 n VAL 196 Cb 0.44 0.71 -0.15 0.00 -1.47 0.00 0.00 33.84 33.37 3kc1 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kc1 s ASP 197 N -1.84 1.58 0.00 -1.34 1.11 -1.10 -5.02 116.67 110.06 3kc1 s ASP 197 Ca -0.00 -0.24 -0.07 0.00 0.18 0.00 0.00 52.55 52.42 3kc1 s ASP 197 Cb 0.02 0.12 -0.05 0.00 1.07 0.00 0.00 42.92 44.09 3kc1 s ASP 197 CO 0.13 -0.32 0.28 -0.54 1.18 0.00 0.00 175.17 175.90 3kc1 s LYS 198 N 2.25 3.60 -1.13 8.23 1.02 -1.26 -1.08 119.74 131.37 3kc1 s LYS 198 Ca 0.04 -0.03 -0.32 0.00 0.02 0.00 0.00 55.97 55.69 3kc1 s LYS 198 Cb -0.15 -3.09 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3kc1 s LYS 198 CO -0.09 0.65 0.64 -3.47 -0.92 0.00 0.00 175.35 172.15 3kc1 n ASP 199 N 1.20 -3.89 -4.76 2.83 4.64 -0.81 -4.84 116.55 110.93 3kc1 n ASP 199 Ca -0.12 -1.22 -0.41 0.00 -1.38 0.00 0.00 54.79 51.66 3kc1 n ASP 199 Cb 0.53 -1.49 -0.02 0.00 -1.04 0.00 0.00 41.12 39.10 3kc1 n ASP 199 CO 0.00 0.00 0.00 -0.69 -0.82 0.00 0.00 177.20 175.69 3kc1 s VAL 200 N -3.58 2.83 -0.03 5.18 1.01 0.54 -4.84 120.40 121.51 3kc1 s VAL 200 Ca 0.44 0.79 0.04 0.00 0.00 0.00 0.00 61.98 63.25 3kc1 s VAL 200 Cb -0.25 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.63 3kc1 s VAL 200 CO 0.92 0.17 -0.13 -0.54 0.00 0.00 0.00 175.10 175.51 3kc1 s LYS 201 N -1.30 1.32 0.47 2.72 -0.14 -1.26 -4.40 119.74 117.15 3kc1 s LYS 201 Ca 0.51 -0.47 -0.17 0.00 -1.36 0.00 0.00 55.97 54.49 3kc1 s LYS 201 Cb -0.39 -1.20 -0.09 0.00 -1.68 0.00 0.00 37.83 34.47 3kc1 s LYS 201 CO 0.48 0.21 0.93 -1.50 -0.76 0.00 0.00 175.35 174.71 3kc1 s ILE 202 N 0.02 4.54 0.41 2.17 2.07 0.07 -5.01 121.20 125.46 3kc1 s ILE 202 Ca -0.01 1.19 -0.27 0.00 -1.41 0.00 0.00 60.65 60.15 3kc1 s ILE 202 Cb -0.09 -3.68 -0.10 0.00 0.13 0.00 0.00 42.46 38.72 3kc1 s ILE 202 CO 0.01 -0.54 1.47 -0.75 -1.91 0.00 0.00 174.94 173.22 3kc1 s LYS 203 N -3.75 3.91 0.28 3.50 2.20 -1.26 -4.89 119.74 119.73 3kc1 s LYS 203 Ca 0.58 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.72 3kc1 s LYS 203 Cb -0.10 -2.83 0.50 0.00 -1.51 0.00 0.00 37.83 33.90 3kc1 s LYS 203 CO 0.26 -0.67 1.87 -0.22 -0.36 0.00 0.00 175.35 176.23 3kc1 h LYS 204 N 2.69 1.03 -3.13 4.03 3.64 -1.95 -3.39 116.57 119.50 3kc1 h LYS 204 Ca -0.51 -0.06 -0.17 0.00 -1.27 0.00 0.00 60.65 58.64 3kc1 h LYS 204 Cb 1.25 -0.23 -0.26 0.00 -0.41 0.00 0.00 32.23 32.57 3kc1 h LYS 204 CO 0.63 0.68 -0.44 0.21 -2.27 0.00 0.00 179.45 178.26 3kc1 s LYS 205 N -5.97 0.27 0.00 1.90 2.20 -1.26 -1.56 119.74 115.32 3kc1 s LYS 205 Ca -0.12 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.86 3kc1 s LYS 205 Cb 0.21 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.62 3kc1 s LYS 205 CO 0.81 -0.06 0.00 0.41 -0.36 0.00 0.00 175.35 176.15 3kc1 n GLY 206 N 3.18 3.19 0.60 5.54 0.00 -1.26 -4.77 105.19 111.67 3kc1 n GLY 206 Ca -0.15 -2.17 0.03 0.00 0.00 0.00 0.00 46.02 43.73 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 -0.45 0.37 -4.16 1.61 5.02 -1.26 -4.77 118.16 114.53 3kc1 n LYS 207 Ca 0.00 -1.67 -0.17 0.00 -2.02 0.00 0.00 58.31 54.45 3kc1 n LYS 207 Cb 0.00 -0.69 -0.15 0.00 -0.02 0.00 0.00 35.03 34.17 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 -0.82 0.43 0.03 -0.18 -1.09 -1.26 -0.81 121.20 117.51 3kc1 s ILE 208 Ca 0.15 -0.19 0.08 0.00 -2.23 0.00 0.00 60.65 58.47 3kc1 s ILE 208 Cb 0.16 -0.40 -0.03 0.00 -1.58 0.00 0.00 42.46 40.61 3kc1 s ILE 208 CO -0.03 0.14 -0.23 -0.72 -1.23 0.00 0.00 174.94 172.87 3kc1 s TYR 209 N 0.14 2.41 -0.09 3.97 -0.85 -0.82 -1.07 117.35 121.04 3kc1 s TYR 209 Ca -0.01 -0.35 -0.02 0.00 -0.52 0.00 0.00 57.07 56.16 3kc1 s TYR 209 Cb -0.05 -1.44 0.04 0.00 0.38 0.00 0.00 41.96 40.88 3kc1 s TYR 209 CO -0.00 0.15 0.03 0.45 -1.52 0.00 0.00 175.55 174.65 3kc1 s SER 210 N -1.20 1.74 -0.05 -0.18 0.15 0.89 -2.98 113.70 112.07 3kc1 s SER 210 Ca 0.12 -0.20 -0.30 0.00 0.70 0.00 0.00 55.95 56.27 3kc1 s SER 210 Cb -0.10 -0.38 0.11 0.00 -1.71 0.00 0.00 66.02 63.94 3kc1 s SER 210 CO 0.03 -0.24 0.96 -1.48 1.20 0.00 0.00 173.24 173.71 3kc1 s LEU 211 N 2.02 -0.32 -0.73 3.45 2.34 -1.26 0.72 118.68 124.90 3kc1 s LEU 211 Ca 0.04 0.02 -0.27 0.00 0.06 0.00 0.00 54.13 53.98 3kc1 s LEU 211 Cb -0.13 1.88 0.03 0.00 -0.56 0.00 0.00 46.19 47.41 3kc1 s LEU 211 CO -0.05 -0.52 1.26 0.21 -1.06 0.00 0.00 176.35 176.19 3kc1 s ASN 212 N -2.35 6.18 0.00 1.48 3.84 -1.26 -4.84 114.94 117.99 3kc1 s ASN 212 Ca 0.06 -0.44 0.20 0.00 0.21 0.00 0.00 52.86 52.89 3kc1 s ASN 212 Cb -0.01 -2.55 1.16 0.00 -0.55 0.00 0.00 41.25 39.29 3kc1 s ASN 212 CO -0.08 -1.81 1.62 -0.62 -2.79 0.00 0.00 177.10 173.43 3kc1 n GLU 213 N 9.27 0.52 0.15 0.43 1.02 -1.26 -2.66 120.64 128.12 3kc1 n GLU 213 Ca 0.03 0.03 0.13 0.00 -0.02 0.00 0.00 57.16 57.33 3kc1 n GLU 213 Cb 0.49 -1.50 0.53 0.00 -0.02 0.00 0.00 31.44 30.94 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 3.26 0.00 -0.83 0.62 0.00 -2.06 -1.49 103.07 102.57 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 -2.37 0.19 -0.32 5.60 4.01 -1.09 -4.55 117.16 118.64 3kc1 n TYR 215 Ca 0.02 -0.10 0.01 0.00 -0.16 0.00 0.00 57.90 57.67 3kc1 n TYR 215 Cb 0.23 0.00 0.07 0.00 -0.31 0.00 0.00 39.34 39.33 3kc1 n TYR 215 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3kc1 n ALA 216 N 0.35 0.01 -0.25 -0.72 0.00 -0.56 0.13 120.51 119.47 3kc1 n ALA 216 Ca 0.17 0.89 0.17 0.00 0.00 0.00 0.00 53.44 54.66 3kc1 n ALA 216 Cb 0.35 -0.45 0.47 0.00 0.00 0.00 0.00 19.45 19.82 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 0.48 -0.39 0.00 3.64 -1.85 -1.20 116.57 117.24 3kc1 h LYS 217 Ca 0.34 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.69 3kc1 h LYS 217 Cb 0.55 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3kc1 h LYS 217 CO -0.86 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 176.38 3kc1 n ASP 218 N -4.54 3.34 -4.68 4.20 8.00 0.12 -5.00 116.55 117.98 3kc1 n ASP 218 Ca 0.19 -1.97 -0.38 0.00 0.71 0.00 0.00 54.79 53.34 3kc1 n ASP 218 Cb 0.63 -0.25 0.06 0.00 -0.02 0.00 0.00 41.12 41.54 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 1.40 1.52 -2.52 1.24 3.72 -0.46 -3.29 117.46 119.08 3kc1 n PHE 219 Ca 0.19 0.43 -0.34 0.00 -0.05 0.00 0.00 57.45 57.69 3kc1 n PHE 219 Cb 0.58 -2.23 -0.03 0.00 -0.94 0.00 0.00 39.48 36.86 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 -1.23 6.31 0.36 4.37 2.15 -1.26 -4.85 116.67 122.52 3kc1 s ASP 220 Ca 0.77 1.93 0.09 0.00 0.43 0.00 0.00 52.55 55.78 3kc1 s ASP 220 Cb -0.41 -2.56 0.83 0.00 -0.30 0.00 0.00 42.92 40.49 3kc1 s ASP 220 CO 0.45 -0.81 1.87 1.55 -0.17 0.00 0.00 175.17 178.06 3kc1 h PRO 221 N 1.51 0.65 -0.61 4.34 0.13 -1.97 -1.57 132.00 134.49 3kc1 h PRO 221 Ca -0.49 -0.04 -0.06 0.00 -0.87 0.00 0.00 66.00 64.53 3kc1 h PRO 221 Cb 1.22 -0.15 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3kc1 h PRO 221 CO 0.59 0.43 0.13 0.00 -0.23 0.00 0.00 178.00 178.93 3kc1 h ALA 222 N 1.60 0.81 -0.44 -0.56 0.00 -1.92 -1.58 119.26 117.17 3kc1 h ALA 222 Ca 0.45 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 55.03 3kc1 h ALA 222 Cb 0.74 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 3kc1 h ALA 222 CO -0.21 0.53 -0.08 0.28 0.00 0.00 0.00 179.25 179.78 3kc1 h VAL 223 N 0.90 1.27 -0.32 0.00 2.07 -1.73 -1.27 116.25 117.17 3kc1 h VAL 223 Ca 0.19 -1.17 0.03 0.00 0.82 0.00 0.00 66.70 66.57 3kc1 h VAL 223 Cb 0.38 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3kc1 h VAL 223 CO 0.01 0.40 0.14 0.74 0.02 0.00 0.00 177.57 178.88 3kc1 h THR 224 N 0.66 0.96 -0.22 2.57 2.02 -1.11 -1.41 112.91 116.38 3kc1 h THR 224 Ca 0.12 -0.10 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 3kc1 h THR 224 Cb 0.60 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3kc1 h THR 224 CO 0.04 0.05 0.05 -0.08 0.37 0.00 0.00 175.52 175.95 3kc1 h GLU 225 N 0.30 0.36 -0.37 6.66 4.81 -1.20 -1.82 114.58 123.32 3kc1 h GLU 225 Ca 0.14 -0.09 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3kc1 h GLU 225 Cb 0.07 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.36 3kc1 h GLU 225 CO -0.11 0.49 0.10 -0.92 -0.73 0.00 0.00 179.01 177.84 3kc1 h TYR 226 N 0.17 0.18 -0.74 0.92 3.20 -1.04 -0.79 116.97 118.88 3kc1 h TYR 226 Ca 0.07 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.91 3kc1 h TYR 226 Cb 0.29 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 3kc1 h TYR 226 CO 0.01 0.06 0.28 0.82 -1.64 0.00 0.00 178.16 177.69 3kc1 h ILE 227 N 0.24 1.25 -0.74 1.81 1.08 -1.23 -1.65 117.51 118.27 3kc1 h ILE 227 Ca 0.17 -0.81 0.05 0.00 -0.39 0.00 0.00 64.86 63.88 3kc1 h ILE 227 Cb 0.17 0.38 -0.04 0.00 -3.07 0.00 0.00 36.82 34.26 3kc1 h ILE 227 CO -0.20 0.33 0.49 -0.61 -0.69 0.00 0.00 178.15 177.46 3kc1 h GLN 228 N 1.07 0.82 0.00 2.37 5.75 -0.43 -0.30 115.11 124.40 3kc1 h GLN 228 Ca 0.25 -0.05 -0.08 0.00 -0.15 0.00 0.00 58.65 58.61 3kc1 h GLN 228 Cb 0.22 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 28.58 3kc1 h GLN 228 CO -0.02 0.54 -0.39 0.00 -2.65 0.00 0.00 178.83 176.31 3kc1 h ARG 229 N 0.85 0.00 -0.00 1.69 3.08 -0.24 0.16 114.38 119.91 3kc1 h ARG 229 Ca 0.31 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.17 3kc1 h ARG 229 Cb 0.14 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 3kc1 h ARG 229 CO -0.10 0.39 -0.83 0.87 -1.07 0.00 0.00 179.97 179.24 3kc1 h LYS 230 N 0.00 0.16 0.08 0.04 1.79 -0.58 -2.84 116.57 115.23 3kc1 h LYS 230 Ca -0.00 -0.17 -0.32 0.00 -2.18 0.00 0.00 60.65 57.98 3kc1 h LYS 230 Cb 0.85 0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.52 3kc1 h LYS 230 CO 0.05 0.90 -1.74 0.87 -1.08 0.00 0.00 179.45 178.45 3kc1 h LYS 231 N 0.09 0.18 -2.62 3.15 1.57 -1.17 -1.34 116.57 116.43 3kc1 h LYS 231 Ca -0.03 -0.30 -0.60 0.00 -1.87 0.00 0.00 60.65 57.84 3kc1 h LYS 231 Cb 1.45 0.11 -0.40 0.00 0.08 0.00 0.00 32.23 33.46 3kc1 h LYS 231 CO 0.12 0.96 -0.75 1.19 -0.57 0.00 0.00 179.45 180.40 3kc1 n PHE 232 N -3.34 1.67 -1.64 -1.35 3.01 0.56 -4.75 117.46 111.62 3kc1 n PHE 232 Ca -0.22 -3.91 -0.48 0.00 1.01 0.00 0.00 57.45 53.85 3kc1 n PHE 232 Cb 1.05 -0.32 -0.05 0.00 -0.01 0.00 0.00 39.48 40.15 3kc1 n PHE 232 CO 0.00 0.00 0.00 -2.30 1.01 0.00 0.00 176.76 175.47 3kc1 n PRO 233 N 2.00 1.76 0.18 -1.08 -0.02 -1.07 -4.51 135.00 132.26 3kc1 n PRO 233 Ca 0.25 0.63 0.04 0.00 -2.02 0.00 0.00 63.50 62.40 3kc1 n PRO 233 Cb 0.42 -2.36 0.33 0.00 -0.02 0.00 0.00 33.50 31.87 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 5.47 0.00 -0.64 0.52 0.11 -1.92 -2.94 132.00 132.59 3kc1 h PRO 234 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3kc1 h PRO 234 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kc1 h PRO 234 CO 0.85 0.41 0.00 -0.40 -0.21 0.00 0.00 178.00 178.65 3kc1 n ASP 235 N -3.74 4.94 -0.83 -2.05 3.85 -1.26 -4.92 116.55 112.54 3kc1 n ASP 235 Ca -0.01 -2.56 -0.11 0.00 -0.71 0.00 0.00 54.79 51.40 3kc1 n ASP 235 Cb 0.49 -0.61 -0.05 0.00 -1.35 0.00 0.00 41.12 39.61 3kc1 n ASP 235 CO 0.00 0.00 0.00 -3.20 -1.01 0.00 0.00 177.20 172.99 3kc1 n ASN 236 N 0.99 -5.34 -4.82 -1.12 5.15 -1.11 -4.98 115.26 104.03 3kc1 n ASN 236 Ca 0.26 0.27 -0.30 0.00 -0.60 0.00 0.00 54.58 54.21 3kc1 n ASN 236 Cb 0.96 -3.79 0.09 0.00 -0.53 0.00 0.00 39.78 36.50 3kc1 n ASN 236 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 3kc1 s SER 237 N -2.49 4.60 0.36 1.20 1.04 -1.26 -4.97 113.70 112.17 3kc1 s SER 237 Ca 0.00 1.27 -0.28 0.00 0.48 0.00 0.00 55.95 57.41 3kc1 s SER 237 Cb 0.00 -2.00 -0.11 0.00 0.10 0.00 0.00 66.02 64.01 3kc1 s SER 237 CO 0.00 -1.90 1.51 0.00 0.98 0.00 0.00 173.24 173.83 3kc1 s ALA 238 N -3.19 3.61 0.60 5.32 0.00 -1.26 -4.57 121.76 122.26 3kc1 s ALA 238 Ca 0.60 1.58 -0.19 0.00 0.00 0.00 0.00 51.96 53.96 3kc1 s ALA 238 Cb -0.14 -3.62 -0.03 0.00 0.00 0.00 0.00 23.12 19.33 3kc1 s ALA 238 CO 0.54 -1.06 1.23 -2.14 0.00 0.00 0.00 175.76 174.33 3kc1 s PRO 239 N -1.81 2.92 0.57 0.00 0.02 -1.26 -4.94 135.00 130.49 3kc1 s PRO 239 Ca 0.55 1.89 -0.17 0.00 0.02 0.00 0.00 61.00 63.29 3kc1 s PRO 239 Cb -0.47 -1.94 -0.05 0.00 0.02 0.00 0.00 34.50 32.07 3kc1 s PRO 239 CO 0.61 -1.27 1.06 0.71 -0.33 0.00 0.00 177.00 177.78 3kc1 s TYR 240 N -1.54 2.93 0.41 6.54 1.51 -0.50 -5.03 117.35 121.67 3kc1 s TYR 240 Ca 0.78 1.53 -0.07 0.00 -1.01 0.00 0.00 57.07 58.30 3kc1 s TYR 240 Cb -0.32 -3.06 -0.05 0.00 -0.11 0.00 0.00 41.96 38.42 3kc1 s TYR 240 CO 0.35 -1.14 0.72 0.20 -1.11 0.00 0.00 175.55 174.58 3kc1 s GLY 241 N -2.49 1.74 -0.03 0.71 0.00 0.01 -4.84 107.32 102.42 3kc1 s GLY 241 Ca 0.66 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.98 3kc1 s GLY 241 CO 0.32 -0.26 -0.08 0.00 0.00 0.00 0.00 173.10 173.08 3kc1 s ALA 242 N -2.44 2.95 -0.14 3.20 0.00 -1.26 -1.95 121.76 122.12 3kc1 s ALA 242 Ca 0.48 -0.97 -0.08 0.00 0.00 0.00 0.00 51.96 51.39 3kc1 s ALA 242 Cb -0.10 -1.13 0.05 0.00 0.00 0.00 0.00 23.12 21.93 3kc1 s ALA 242 CO 0.36 0.59 0.33 1.03 0.00 0.00 0.00 175.76 178.07 3kc1 s ARG 243 N -1.11 0.31 -0.34 0.00 1.81 -1.16 -4.99 118.95 113.48 3kc1 s ARG 243 Ca 0.15 0.64 0.03 0.00 -1.72 0.00 0.00 55.73 54.83 3kc1 s ARG 243 Cb -0.11 -0.04 0.16 0.00 -0.45 0.00 0.00 34.95 34.51 3kc1 s ARG 243 CO 0.04 -0.15 0.44 -0.47 -0.68 0.00 0.00 175.30 174.49 3kc1 s TYR 244 N 1.19 -0.92 0.17 -0.53 5.04 -1.26 -4.24 117.35 116.80 3kc1 s TYR 244 Ca -0.08 -0.05 -0.07 0.00 -2.44 0.00 0.00 57.07 54.43 3kc1 s TYR 244 Cb -0.08 -0.15 0.05 0.00 0.35 0.00 0.00 41.96 42.13 3kc1 s TYR 244 CO -0.09 -1.02 1.51 0.28 -1.34 0.00 0.00 175.55 174.89 3kc1 h VAL 245 N 5.60 1.28 0.00 3.14 2.07 -1.97 -3.47 116.25 122.90 3kc1 h VAL 245 Ca -0.02 -1.59 0.00 0.00 0.82 0.00 0.00 66.70 65.91 3kc1 h VAL 245 Cb 1.11 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3kc1 h VAL 245 CO 0.21 0.52 0.00 0.61 0.02 0.00 0.00 177.57 178.93 3kc1 n GLY 246 N 0.11 0.39 3.25 2.17 0.00 -1.26 -5.01 105.19 104.84 3kc1 n GLY 246 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 3kc1 n GLY 246 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3kc1 s SER 247 N -2.11 3.88 0.22 1.61 0.01 -1.26 -4.91 113.70 111.14 3kc1 s SER 247 Ca 0.00 -0.47 -0.07 0.00 1.31 0.00 0.00 55.95 56.72 3kc1 s SER 247 Cb 0.00 -1.64 0.34 0.00 0.21 0.00 0.00 66.02 64.93 3kc1 s SER 247 CO 0.00 0.01 1.77 -0.03 0.41 0.00 0.00 173.24 175.40 3kc1 h MET 248 N 7.91 0.56 -0.90 12.44 4.05 -1.93 -1.09 114.93 135.97 3kc1 h MET 248 Ca -0.41 -0.03 0.00 0.00 -0.28 0.00 0.00 59.70 58.98 3kc1 h MET 248 Cb 1.16 -0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.79 3kc1 h MET 248 CO 0.61 0.37 0.57 0.28 0.23 0.00 0.00 176.91 178.97 3kc1 h VAL 249 N 0.58 1.24 -0.12 -5.77 2.07 -1.94 0.17 116.25 112.48 3kc1 h VAL 249 Ca 0.35 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.35 3kc1 h VAL 249 Cb 0.38 -0.06 -0.00 0.00 -1.52 0.00 0.00 31.29 30.09 3kc1 h VAL 249 CO -0.28 0.24 -0.04 0.00 0.02 0.00 0.00 177.57 177.52 3kc1 h ALA 250 N 1.31 0.17 -0.54 1.67 0.00 -1.71 -1.42 119.26 118.74 3kc1 h ALA 250 Ca 0.33 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 3kc1 h ALA 250 Cb -0.09 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3kc1 h ALA 250 CO -0.07 -0.07 -0.00 -0.44 0.00 0.00 0.00 179.25 178.67 3kc1 h ASP 251 N -0.09 0.93 -0.49 0.00 3.32 -1.00 -2.19 116.42 116.90 3kc1 h ASP 251 Ca 0.03 -0.31 -0.12 0.00 0.02 0.00 0.00 57.03 56.65 3kc1 h ASP 251 Cb 0.48 -0.25 -0.02 0.00 0.22 0.00 0.00 39.33 39.76 3kc1 h ASP 251 CO 0.01 1.01 -0.16 0.58 -1.72 0.00 0.00 179.24 178.97 3kc1 h VAL 252 N 0.83 1.27 -0.64 -1.35 2.07 -0.69 -2.06 116.25 115.68 3kc1 h VAL 252 Ca 0.15 -1.31 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 3kc1 h VAL 252 Cb 0.54 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.32 3kc1 h VAL 252 CO 0.03 0.46 0.14 -0.74 0.02 0.00 0.00 177.57 177.47 3kc1 h HIS 253 N 0.87 1.09 -0.83 1.57 -0.00 -1.16 -0.67 115.15 116.01 3kc1 h HIS 253 Ca 0.13 -0.14 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3kc1 h HIS 253 Cb 0.72 -0.30 -0.04 0.00 -0.00 0.00 0.00 27.41 27.79 3kc1 h HIS 253 CO 0.05 0.91 0.42 -0.09 -0.00 0.00 0.00 177.93 179.21 3kc1 h ARG 254 N 0.95 1.19 -0.75 5.26 2.43 -1.29 0.06 114.38 122.23 3kc1 h ARG 254 Ca 0.20 -0.17 0.01 0.00 -0.81 0.00 0.00 59.98 59.22 3kc1 h ARG 254 Cb 0.38 -0.22 -0.04 0.00 -0.42 0.00 0.00 29.97 29.67 3kc1 h ARG 254 CO 0.01 0.91 0.49 1.15 -1.51 0.00 0.00 179.97 181.02 3kc1 h THR 255 N 1.18 1.17 -0.26 0.20 2.02 -0.80 0.22 112.91 116.65 3kc1 h THR 255 Ca 0.29 -0.34 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 3kc1 h THR 255 Cb 0.10 0.09 -0.01 0.00 -1.74 0.00 0.00 68.15 66.58 3kc1 h THR 255 CO -0.04 0.18 0.09 0.25 0.37 0.00 0.00 175.52 176.37 3kc1 h LEU 256 N 1.00 0.36 -0.09 2.58 5.85 -0.37 0.61 115.31 125.24 3kc1 h LEU 256 Ca 0.28 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 3kc1 h LEU 256 Cb -0.08 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 40.85 3kc1 h LEU 256 CO -0.07 0.46 -0.11 0.58 -0.34 0.00 0.00 178.44 178.95 3kc1 h VAL 257 N 0.25 1.38 0.00 1.05 2.07 -0.67 -3.36 116.25 116.97 3kc1 h VAL 257 Ca 0.08 -1.31 0.00 0.00 0.82 0.00 0.00 66.70 66.29 3kc1 h VAL 257 Cb 0.21 2.04 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 3kc1 h VAL 257 CO -0.00 0.37 -0.97 -1.22 0.02 0.00 0.00 177.57 175.76 3kc1 n TYR 258 N -4.64 0.00 0.00 1.57 4.01 0.74 -4.94 117.16 113.91 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 0.34 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.34 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 1.44 -1.09 0.00 2.72 0.00 0.21 -4.70 105.19 103.78 3kc1 n GLY 259 Ca 0.03 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.42 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 -1.16 0.24 2.96 -0.02 0.00 -1.26 -4.54 105.19 101.41 3kc1 n GLY 260 Ca 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 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 0.06 -0.06 -0.61 2.07 -0.24 -0.52 121.20 121.91 3kc1 s ILE 261 Ca 0.00 -0.47 0.05 0.00 -1.41 0.00 0.00 60.65 58.82 3kc1 s ILE 261 Cb 0.00 -0.19 -0.01 0.00 0.13 0.00 0.00 42.46 42.40 3kc1 s ILE 261 CO 0.00 -0.26 -0.22 0.12 -1.91 0.00 0.00 174.94 172.68 3kc1 s PHE 262 N -0.77 2.15 -0.01 3.50 5.36 -0.13 -0.07 117.98 128.00 3kc1 s PHE 262 Ca -0.09 -0.66 0.01 0.00 -0.96 0.00 0.00 56.93 55.24 3kc1 s PHE 262 Cb -0.05 -1.43 0.00 0.00 -0.34 0.00 0.00 43.02 41.20 3kc1 s PHE 262 CO -0.00 -0.22 -0.05 -0.51 -1.46 0.00 0.00 175.22 172.98 3kc1 s LEU 263 N -0.03 1.80 -0.42 6.12 1.02 0.22 -1.51 118.68 125.89 3kc1 s LEU 263 Ca -0.05 -0.10 0.07 0.00 0.02 0.00 0.00 54.13 54.07 3kc1 s LEU 263 Cb -0.13 -0.31 0.23 0.00 0.02 0.00 0.00 46.19 45.99 3kc1 s LEU 263 CO 0.04 0.03 0.55 0.00 0.02 0.00 0.00 176.35 176.98 3kc1 n TYR 264 N 3.27 -1.11 -1.58 0.29 4.19 -0.43 -4.30 117.16 117.49 3kc1 n TYR 264 Ca -0.17 -3.13 -0.29 0.00 3.31 0.00 0.00 57.90 57.62 3kc1 n TYR 264 Cb 0.56 0.15 0.17 0.00 0.49 0.00 0.00 39.34 40.71 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 -0.54 0.49 0.18 2.98 0.04 -1.26 -2.37 135.00 134.51 3kc1 s PRO 265 Ca 0.34 -0.03 -0.10 0.00 0.04 0.00 0.00 61.00 61.26 3kc1 s PRO 265 Cb 0.14 -1.79 -0.07 0.00 0.04 0.00 0.00 34.50 32.82 3kc1 s PRO 265 CO -0.15 -2.58 0.49 0.00 0.04 0.00 0.00 177.00 174.81 3kc1 s ALA 266 N -3.43 3.63 0.00 8.56 0.00 -1.26 -4.60 121.76 124.67 3kc1 s ALA 266 Ca 0.69 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 52.33 3kc1 s ALA 266 Cb -0.10 -2.37 0.00 0.00 0.00 0.00 0.00 23.12 20.65 3kc1 s ALA 266 CO 0.54 0.54 0.00 0.27 0.00 0.00 0.00 175.76 177.10 3kc1 n ASN 267 N 0.22 0.00 -0.03 0.00 0.23 -0.68 -4.39 115.26 110.61 3kc1 n ASN 267 Ca -0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.58 53.89 3kc1 n ASN 267 Cb 0.52 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 38.11 3kc1 n ASN 267 CO 0.00 0.00 0.00 0.11 -0.93 0.00 0.00 177.26 176.44 3kc1 h LYS 268 N 0.00 0.01 0.00 -3.83 1.57 -1.89 -3.35 116.57 109.08 3kc1 h LYS 268 Ca 0.00 -0.00 -0.20 0.00 -1.87 0.00 0.00 60.65 58.57 3kc1 h LYS 268 Cb 0.00 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 32.28 3kc1 h LYS 268 CO 0.00 0.68 -0.96 1.57 -0.57 0.00 0.00 179.45 180.17 3kc1 h LYS 269 N -0.67 0.00 -3.25 3.15 5.09 -1.97 -3.39 116.57 115.53 3kc1 h LYS 269 Ca -0.00 0.00 -0.68 0.00 0.09 0.00 0.00 60.65 60.06 3kc1 h LYS 269 Cb 0.68 0.00 -0.37 0.00 0.10 0.00 0.00 32.23 32.64 3kc1 h LYS 269 CO 0.00 0.96 -0.25 -1.12 -2.09 0.00 0.00 179.45 176.95 3kc1 s SER 270 N -6.71 5.60 0.56 7.07 0.01 -1.26 -4.91 113.70 114.08 3kc1 s SER 270 Ca 0.01 -3.74 0.30 0.00 1.31 0.00 0.00 55.95 53.83 3kc1 s SER 270 Cb 0.10 -1.82 1.70 0.00 0.21 0.00 0.00 66.02 66.21 3kc1 s SER 270 CO 0.81 -0.16 2.17 1.55 0.41 0.00 0.00 173.24 178.03 3kc1 h PRO 271 N 5.85 0.00 -0.44 12.44 0.13 -1.77 -1.66 132.00 146.55 3kc1 h PRO 271 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 3kc1 h PRO 271 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3kc1 h PRO 271 CO 0.81 0.06 0.00 0.09 -0.23 0.00 0.00 178.00 178.72 3kc1 n ASN 272 N -3.65 3.82 -0.01 1.44 5.03 -1.26 -4.80 115.26 115.85 3kc1 n ASN 272 Ca -0.02 -2.42 0.00 0.00 0.87 0.00 0.00 54.58 53.01 3kc1 n ASN 272 Cb 0.16 -0.44 -0.00 0.00 -1.02 0.00 0.00 39.78 38.48 3kc1 n ASN 272 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3kc1 n GLY 273 N 0.49 -2.15 0.03 7.41 0.00 -0.84 -0.83 105.19 109.29 3kc1 n GLY 273 Ca 0.19 -1.46 -0.04 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.28 0.84 -2.11 1.61 4.81 -1.26 -4.66 118.16 117.11 3kc1 n LYS 274 Ca 0.00 0.03 -0.34 0.00 -0.87 0.00 0.00 58.31 57.12 3kc1 n LYS 274 Cb 0.00 -1.12 0.01 0.00 0.02 0.00 0.00 35.03 33.95 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 -5.11 3.63 -0.01 3.14 1.43 -1.26 -4.81 118.68 115.69 3kc1 s LEU 275 Ca -0.07 2.08 -0.23 0.00 -1.03 0.00 0.00 54.13 54.88 3kc1 s LEU 275 Cb 0.02 -4.57 -0.05 0.00 0.03 0.00 0.00 46.19 41.62 3kc1 s LEU 275 CO 0.15 -1.32 0.70 -0.13 0.23 0.00 0.00 176.35 175.98 3kc1 s ARG 276 N -3.58 4.43 0.06 1.70 3.00 -1.26 -0.82 118.95 122.49 3kc1 s ARG 276 Ca 0.70 0.92 -0.29 0.00 0.00 0.00 0.00 55.73 57.07 3kc1 s ARG 276 Cb -0.22 -3.39 -0.17 0.00 0.00 0.00 0.00 34.95 31.16 3kc1 s ARG 276 CO 0.32 0.21 1.59 1.25 0.00 0.00 0.00 175.30 178.67 3kc1 h LEU 277 N 6.10 -0.48 -0.64 2.53 5.85 -1.52 -0.46 115.31 126.69 3kc1 h LEU 277 Ca -0.43 -0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.26 3kc1 h LEU 277 Cb 1.20 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.32 3kc1 h LEU 277 CO 0.72 -0.29 0.35 -0.07 -0.34 0.00 0.00 178.44 178.81 3kc1 h LEU 278 N -0.63 0.81 -2.96 2.25 4.07 -1.80 -0.23 115.31 116.82 3kc1 h LEU 278 Ca -0.06 -0.10 0.00 0.00 0.08 0.00 0.00 57.88 57.80 3kc1 h LEU 278 Cb 0.47 -0.21 0.00 0.00 1.08 0.00 0.00 40.66 42.00 3kc1 h LEU 278 CO 0.09 0.68 0.00 0.00 -1.08 0.00 0.00 178.44 178.13 3kc1 n TYR 279 N -4.53 0.15 0.08 1.13 0.18 -1.25 -4.52 117.16 108.41 3kc1 n TYR 279 Ca 0.05 -0.51 0.00 0.00 1.88 0.00 0.00 57.90 59.32 3kc1 n TYR 279 Cb 0.09 -0.05 0.00 0.00 -0.38 0.00 0.00 39.34 39.01 3kc1 n TYR 279 CO 0.00 0.00 0.00 0.39 -2.08 0.00 0.00 176.86 175.17 3kc1 n GLU 280 N -0.19 0.00 0.13 -3.48 1.02 -0.87 -4.16 120.64 113.09 3kc1 n GLU 280 Ca 0.04 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.07 3kc1 n GLU 280 Cb 0.31 -0.25 -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 -0.93 -0.17 -0.41 0.00 -0.26 -1.28 0.20 115.58 112.73 3kc1 h ASN 282 Ca -0.04 0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.81 3kc1 h ASN 282 Cb 0.51 0.15 -0.03 0.00 -1.06 0.00 0.00 38.32 37.88 3kc1 h ASN 282 CO 0.06 -0.05 0.20 -0.65 -1.06 0.00 0.00 177.43 175.94 3kc1 h PRO 283 N 0.08 0.40 -0.23 0.81 0.11 -1.79 0.12 132.00 131.49 3kc1 h PRO 283 Ca 0.17 -0.02 -0.11 0.00 0.11 0.00 0.00 66.00 66.14 3kc1 h PRO 283 Cb 0.23 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 3kc1 h PRO 283 CO -0.29 0.27 -0.32 0.52 -0.21 0.00 0.00 178.00 177.96 3kc1 h MET 284 N 0.42 0.48 -0.74 1.05 2.86 -1.44 -1.43 114.93 116.13 3kc1 h MET 284 Ca 0.17 -0.21 -0.06 0.00 -2.06 0.00 0.00 59.70 57.54 3kc1 h MET 284 Cb 0.08 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.69 3kc1 h MET 284 CO -0.12 0.75 0.22 0.00 1.06 0.00 0.00 176.91 178.82 3kc1 h ALA 285 N 1.24 0.97 -0.44 6.32 0.00 -0.05 -0.47 119.26 126.83 3kc1 h ALA 285 Ca 0.05 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 3kc1 h ALA 285 Cb 0.77 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.26 3kc1 h ALA 285 CO 0.06 0.67 0.04 -0.92 0.00 0.00 0.00 179.25 179.10 3kc1 h TYR 286 N 1.11 0.81 -0.22 0.00 3.20 -0.40 -1.08 116.97 120.39 3kc1 h TYR 286 Ca 0.24 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.97 3kc1 h TYR 286 Cb 0.33 -0.22 -0.01 0.00 1.54 0.00 0.00 36.73 38.37 3kc1 h TYR 286 CO 0.03 0.78 0.11 0.28 -1.64 0.00 0.00 178.16 177.72 3kc1 h VAL 287 N 0.61 1.13 -0.31 1.81 2.07 -1.04 -1.93 116.25 118.58 3kc1 h VAL 287 Ca 0.13 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3kc1 h VAL 287 Cb 0.43 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.14 3kc1 h VAL 287 CO 0.02 0.12 0.15 0.24 0.02 0.00 0.00 177.57 178.12 3kc1 h MET 288 N 0.24 0.31 -0.45 1.57 2.86 -0.91 -1.68 114.93 116.87 3kc1 h MET 288 Ca 0.08 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 3kc1 h MET 288 Cb 0.10 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.67 3kc1 h MET 288 CO -0.01 0.21 -0.11 0.93 1.06 0.00 0.00 176.91 178.98 3kc1 h GLU 289 N 0.32 0.82 0.00 1.72 5.08 -1.11 0.99 114.58 122.40 3kc1 h GLU 289 Ca 0.13 -0.28 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3kc1 h GLU 289 Cb 0.05 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.23 3kc1 h GLU 289 CO -0.09 0.90 -0.11 0.87 -1.00 0.00 0.00 179.01 179.57 3kc1 h LYS 290 N 0.74 0.00 -0.34 2.33 1.79 -1.11 -1.03 116.57 118.95 3kc1 h LYS 290 Ca 0.12 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.59 3kc1 h LYS 290 Cb 0.61 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 3kc1 h LYS 290 CO 0.04 0.11 0.00 0.00 -1.08 0.00 0.00 179.45 178.52 3kc1 n ALA 291 N -2.21 2.46 -1.09 3.86 0.00 -0.65 -4.47 120.51 118.41 3kc1 n ALA 291 Ca -0.01 -0.71 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3kc1 n ALA 291 Cb 0.28 -1.00 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 1.21 0.39 0.00 0.00 0.00 -0.39 -0.75 105.19 105.65 3kc1 n GLY 292 Ca 0.16 -1.06 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 -2.77 2.68 3.16 -0.02 0.00 0.34 -4.50 105.19 104.08 3kc1 n GLY 293 Ca 0.00 -2.13 -0.11 0.00 0.00 0.00 0.00 46.02 43.78 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 -1.24 0.82 -0.24 1.61 1.00 -0.62 -3.91 119.30 116.72 3kc1 s MET 294 Ca 0.00 -1.28 -0.04 0.00 0.00 0.00 0.00 55.69 54.37 3kc1 s MET 294 Cb 0.00 -0.25 0.13 0.00 0.00 0.00 0.00 34.83 34.71 3kc1 s MET 294 CO 0.00 -0.00 0.42 0.00 0.00 0.00 0.00 175.02 175.44 3kc1 s ALA 295 N -3.34 -1.26 0.15 3.03 0.00 -1.26 -1.11 121.76 117.99 3kc1 s ALA 295 Ca 0.10 1.19 0.07 0.00 0.00 0.00 0.00 51.96 53.32 3kc1 s ALA 295 Cb 0.03 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.47 3kc1 s ALA 295 CO -0.04 -1.14 -0.15 -0.08 0.00 0.00 0.00 175.76 174.36 3kc1 s THR 296 N 2.60 1.51 -1.21 0.00 -1.32 0.37 -1.89 115.64 115.70 3kc1 s THR 296 Ca 0.10 -1.92 0.24 0.00 -1.21 0.00 0.00 61.69 58.90 3kc1 s THR 296 Cb -0.14 -1.76 -0.00 0.00 -1.51 0.00 0.00 72.50 69.09 3kc1 s THR 296 CO -0.16 -0.48 1.30 0.35 -2.21 0.00 0.00 174.62 173.43 3kc1 n THR 297 N 0.18 0.00 0.00 5.08 -2.24 -0.10 -0.74 114.28 116.47 3kc1 n THR 297 Ca -0.13 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.61 3kc1 n THR 297 Cb 0.58 0.52 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 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 2.56 0.11 3.38 0.00 -1.26 -4.72 105.19 106.73 3kc1 n GLY 298 Ca 0.07 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.24 3kc1 n GLY 298 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc1 n LYS 299 N 0.00 0.68 -3.93 1.61 5.02 -1.26 -4.96 118.16 115.32 3kc1 n LYS 299 Ca 0.00 0.10 -0.08 0.00 -2.02 0.00 0.00 58.31 56.31 3kc1 n LYS 299 Cb 0.00 -1.56 -0.03 0.00 -0.02 0.00 0.00 35.03 33.42 3kc1 n LYS 299 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3kc1 s GLU 300 N -2.52 1.74 0.25 1.97 -1.05 -1.26 -5.13 118.70 112.70 3kc1 s GLU 300 Ca -0.19 -1.19 -0.30 0.00 -0.15 0.00 0.00 54.97 53.14 3kc1 s GLU 300 Cb 0.07 0.54 -0.10 0.00 -0.44 0.00 0.00 34.13 34.21 3kc1 s GLU 300 CO 0.74 -0.77 1.36 0.00 0.95 0.00 0.00 175.26 177.55 3kc1 s ALA 301 N -3.75 3.56 0.27 -0.84 0.00 -1.26 -0.92 121.76 118.82 3kc1 s ALA 301 Ca 0.17 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.37 3kc1 s ALA 301 Cb -0.03 -3.51 0.57 0.00 0.00 0.00 0.00 23.12 20.14 3kc1 s ALA 301 CO 0.09 -0.64 1.76 0.28 0.00 0.00 0.00 175.76 177.25 3kc1 h VAL 302 N 3.49 0.71 0.00 0.00 2.07 -1.68 -0.51 116.25 120.33 3kc1 h VAL 302 Ca -0.46 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 66.84 3kc1 h VAL 302 Cb 1.22 0.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3kc1 h VAL 302 CO 0.75 0.12 0.00 -0.07 0.02 0.00 0.00 177.57 178.38 3kc1 h LEU 303 N 0.63 0.00 -0.53 2.57 3.38 -1.90 -2.50 115.31 116.96 3kc1 h LEU 303 Ca 0.48 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.45 3kc1 h LEU 303 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3kc1 h LEU 303 CO -0.37 0.00 -0.50 0.47 0.09 0.00 0.00 178.44 178.12 3kc1 n ASP 304 N -2.38 1.33 -4.70 -0.43 8.00 -0.20 -0.63 116.55 117.53 3kc1 n ASP 304 Ca -0.00 -1.06 -0.42 0.00 0.71 0.00 0.00 54.79 54.02 3kc1 n ASP 304 Cb 0.13 0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 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 -2.65 3.23 -0.50 2.53 1.01 -0.94 -4.94 120.40 118.14 3kc1 s VAL 305 Ca 0.17 0.77 -0.20 0.00 0.00 0.00 0.00 61.98 62.72 3kc1 s VAL 305 Cb 0.18 -3.49 0.05 0.00 0.00 0.00 0.00 36.38 33.11 3kc1 s VAL 305 CO 0.63 0.02 0.69 -0.63 0.00 0.00 0.00 175.10 175.81 3kc1 s ILE 306 N 1.93 4.77 0.53 2.22 1.01 -1.26 -4.34 121.20 126.05 3kc1 s ILE 306 Ca 0.68 -0.22 -0.20 0.00 0.00 0.00 0.00 60.65 60.91 3kc1 s ILE 306 Cb -0.37 -4.32 -0.06 0.00 0.01 0.00 0.00 42.46 37.71 3kc1 s ILE 306 CO 0.30 -0.82 1.12 -2.16 0.00 0.00 0.00 174.94 173.38 3kc1 s PRO 307 N 2.92 3.46 0.00 2.79 0.04 -1.26 -4.95 135.00 138.00 3kc1 s PRO 307 Ca 0.19 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.82 3kc1 s PRO 307 Cb -0.17 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.31 3kc1 s PRO 307 CO 0.15 -0.75 0.06 0.25 0.04 0.00 0.00 177.00 176.75 3kc1 n THR 308 N -1.17 0.00 -3.72 1.26 -2.24 -1.26 -4.80 114.28 102.36 3kc1 n THR 308 Ca 0.11 -0.39 -0.14 0.00 -2.27 0.00 0.00 64.05 61.36 3kc1 n THR 308 Cb 0.51 1.04 -0.14 0.00 -2.10 0.00 0.00 70.33 69.63 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 -0.65 0.13 0.62 3.42 3.68 -1.26 -5.04 116.67 117.57 3kc1 s ASP 309 Ca 0.00 0.36 0.34 0.00 2.13 0.00 0.00 52.55 55.38 3kc1 s ASP 309 Cb 0.00 0.27 1.94 0.00 -1.45 0.00 0.00 42.92 43.68 3kc1 s ASP 309 CO 0.00 -0.18 2.20 0.16 0.13 0.00 0.00 175.17 177.48 3kc1 h ILE 310 N 6.14 0.28 -0.34 4.11 3.07 -1.93 -1.67 117.51 127.16 3kc1 h ILE 310 Ca -0.33 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.08 3kc1 h ILE 310 Cb 1.13 0.90 0.00 0.00 -0.27 0.00 0.00 36.82 38.59 3kc1 h ILE 310 CO 0.32 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.83 3kc1 n HIS 311 N -3.47 0.76 -1.92 0.16 8.25 -1.26 -4.47 115.22 113.27 3kc1 n HIS 311 Ca -0.01 -0.66 -0.36 0.00 -0.26 0.00 0.00 57.72 56.43 3kc1 n HIS 311 Cb 0.20 -0.16 0.04 0.00 1.12 0.00 0.00 29.99 31.19 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 -1.80 2.84 0.47 -0.41 -2.07 -0.63 -4.83 119.66 113.24 3kc1 s GLN 312 Ca 0.33 1.88 -0.00 0.00 -1.82 0.00 0.00 55.36 55.75 3kc1 s GLN 312 Cb 0.23 -1.91 -0.00 0.00 -1.09 0.00 0.00 33.01 30.24 3kc1 s GLN 312 CO 0.14 -1.33 0.71 1.03 -1.32 0.00 0.00 175.29 174.52 3kc1 s ARG 313 N -3.37 3.02 -0.22 9.60 0.52 -1.26 -1.46 118.95 125.78 3kc1 s ARG 313 Ca 0.78 -0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 55.37 3kc1 s ARG 313 Cb -0.32 -2.52 0.06 0.00 0.52 0.00 0.00 34.95 32.69 3kc1 s ARG 313 CO 0.35 -0.35 0.57 0.00 0.02 0.00 0.00 175.30 175.89 3kc1 s ALA 314 N -2.62 -1.43 0.57 2.13 0.00 0.00 -4.66 121.76 115.75 3kc1 s ALA 314 Ca 0.50 1.68 -0.16 0.00 0.00 0.00 0.00 51.96 53.98 3kc1 s ALA 314 Cb -0.10 -0.98 -0.05 0.00 0.00 0.00 0.00 23.12 21.99 3kc1 s ALA 314 CO 0.39 -0.28 1.04 -2.14 0.00 0.00 0.00 175.76 174.77 3kc1 s PRO 315 N 0.51 3.50 -0.16 0.00 0.02 -1.11 -4.17 135.00 133.59 3kc1 s PRO 315 Ca -0.02 1.17 -0.11 0.00 0.02 0.00 0.00 61.00 62.06 3kc1 s PRO 315 Cb -0.04 -2.06 0.05 0.00 0.02 0.00 0.00 34.50 32.46 3kc1 s PRO 315 CO -0.02 -0.66 0.40 0.54 -0.33 0.00 0.00 177.00 176.93 3kc1 s VAL 316 N -2.45 -0.01 -0.11 3.83 0.11 -1.00 -4.27 120.40 116.50 3kc1 s VAL 316 Ca 0.63 0.05 -0.01 0.00 -2.93 0.00 0.00 61.98 59.72 3kc1 s VAL 316 Cb -0.15 -0.58 0.03 0.00 -1.53 0.00 0.00 36.38 34.16 3kc1 s VAL 316 CO 0.34 0.02 -0.01 -0.63 -3.33 0.00 0.00 175.10 171.49 3kc1 s ILE 317 N 0.87 0.58 0.20 7.04 1.09 0.08 -1.31 121.20 129.75 3kc1 s ILE 317 Ca -0.05 -0.15 -0.02 0.00 -1.10 0.00 0.00 60.65 59.33 3kc1 s ILE 317 Cb -0.06 -0.79 -0.04 0.00 -1.06 0.00 0.00 42.46 40.52 3kc1 s ILE 317 CO -0.07 0.18 0.16 -1.48 -0.10 0.00 0.00 174.94 173.63 3kc1 s LEU 318 N 1.87 1.11 0.00 2.97 0.05 -0.57 -0.48 118.68 123.64 3kc1 s LEU 318 Ca 0.03 -1.33 0.00 0.00 0.05 0.00 0.00 54.13 52.88 3kc1 s LEU 318 Cb -0.13 0.51 0.00 0.00 -2.05 0.00 0.00 46.19 44.52 3kc1 s LEU 318 CO -0.07 -0.86 0.00 0.61 -0.55 0.00 0.00 176.35 175.48 3kc1 n GLY 319 N -0.27 0.62 3.66 -3.48 0.00 -0.26 -0.96 105.19 104.49 3kc1 n GLY 319 Ca 0.01 -1.86 -0.45 0.00 0.00 0.00 0.00 46.02 43.72 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 2.47 -0.17 1.61 7.64 0.32 -1.58 113.62 123.92 3kc1 n SER 320 Ca 0.00 1.15 -0.01 0.00 1.01 0.00 0.00 58.87 61.02 3kc1 n SER 320 Cb 0.00 -1.39 0.07 0.00 -1.01 0.00 0.00 64.21 61.88 3kc1 n SER 320 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 3kc1 h PRO 321 N 3.83 0.17 -0.14 1.43 0.13 -1.75 -1.04 132.00 134.63 3kc1 h PRO 321 Ca -0.45 -0.01 -0.03 0.00 -0.87 0.00 0.00 66.00 64.64 3kc1 h PRO 321 Cb 1.29 -0.04 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 3kc1 h PRO 321 CO 0.73 0.11 -0.06 -0.44 -0.23 0.00 0.00 178.00 178.11 3kc1 h ASP 322 N 0.18 0.19 -0.06 1.44 5.19 -1.62 0.62 116.42 122.35 3kc1 h ASP 322 Ca 0.27 -0.03 -0.15 0.00 -0.62 0.00 0.00 57.03 56.50 3kc1 h ASP 322 Cb 0.39 -0.05 0.01 0.00 0.18 0.00 0.00 39.33 39.86 3kc1 h ASP 322 CO -0.40 0.29 -0.54 0.44 -3.12 0.00 0.00 179.24 175.92 3kc1 h ASP 323 N 0.20 0.57 -0.51 6.45 3.45 -1.50 -2.10 116.42 122.99 3kc1 h ASP 323 Ca 0.05 -0.69 -0.06 0.00 0.43 0.00 0.00 57.03 56.76 3kc1 h ASP 323 Cb 0.25 -0.17 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 3kc1 h ASP 323 CO 0.01 1.18 0.08 0.58 -1.57 0.00 0.00 179.24 179.52 3kc1 h VAL 324 N 0.02 1.25 -0.84 -1.35 2.07 -0.94 -1.72 116.25 114.73 3kc1 h VAL 324 Ca -0.05 -0.94 0.04 0.00 0.82 0.00 0.00 66.70 66.56 3kc1 h VAL 324 Cb 1.21 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3kc1 h VAL 324 CO 0.11 0.34 0.54 -0.07 0.02 0.00 0.00 177.57 178.51 3kc1 h LEU 325 N 0.73 0.89 -0.54 2.57 4.07 -0.92 0.42 115.31 122.53 3kc1 h LEU 325 Ca 0.16 -0.00 -0.02 0.00 0.08 0.00 0.00 57.88 58.09 3kc1 h LEU 325 Cb 0.40 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.92 3kc1 h LEU 325 CO 0.01 0.61 0.27 -0.08 -1.08 0.00 0.00 178.44 178.17 3kc1 h GLU 326 N 1.04 0.78 -0.45 1.13 4.81 -0.99 -0.89 114.58 120.01 3kc1 h GLU 326 Ca 0.34 -0.11 -0.01 0.00 -0.13 0.00 0.00 59.36 59.45 3kc1 h GLU 326 Cb 0.02 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 3kc1 h GLU 326 CO -0.12 0.63 0.26 0.35 -0.73 0.00 0.00 179.01 179.40 3kc1 h PHE 327 N 0.73 0.61 -0.41 0.92 3.57 -0.51 -2.29 116.94 119.57 3kc1 h PHE 327 Ca 0.19 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.70 3kc1 h PHE 327 Cb 0.11 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 3kc1 h PHE 327 CO -0.01 0.45 0.27 -0.07 -2.23 0.00 0.00 178.31 176.72 3kc1 h LEU 328 N 0.60 0.41 -0.27 0.59 3.38 -0.47 0.16 115.31 119.71 3kc1 h LEU 328 Ca 0.16 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3kc1 h LEU 328 Cb 0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3kc1 h LEU 328 CO -0.03 0.29 0.10 0.50 0.09 0.00 0.00 178.44 179.39 3kc1 h LYS 329 N 0.48 0.42 -0.45 1.13 3.64 -0.63 0.27 116.57 121.42 3kc1 h LYS 329 Ca 0.16 -0.08 -0.03 0.00 -1.27 0.00 0.00 60.65 59.43 3kc1 h LYS 329 Cb 0.05 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.79 3kc1 h LYS 329 CO -0.04 0.45 0.18 0.28 -2.27 0.00 0.00 179.45 178.06 3kc1 h VAL 330 N 0.29 1.20 -0.54 2.00 2.07 -0.89 -1.92 116.25 118.47 3kc1 h VAL 330 Ca 0.09 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.03 3kc1 h VAL 330 Cb 0.20 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 30.70 3kc1 h VAL 330 CO -0.01 0.23 0.28 0.22 0.02 0.00 0.00 177.57 178.32 3kc1 h TYR 331 N 0.59 0.52 -0.32 1.57 3.20 -0.43 -1.64 116.97 120.46 3kc1 h TYR 331 Ca 0.15 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 3kc1 h TYR 331 Cb 0.19 -0.16 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3kc1 h TYR 331 CO 0.00 0.26 -0.03 0.93 -1.64 0.00 0.00 178.16 177.68 3kc1 h GLU 332 N 0.55 0.51 -0.12 1.82 5.08 -0.70 -2.15 114.58 119.57 3kc1 h GLU 332 Ca 0.24 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 3kc1 h GLU 332 Cb 0.13 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3kc1 h GLU 332 CO -0.15 0.56 0.03 -0.22 -1.00 0.00 0.00 179.01 178.22 3kc1 h LYS 333 N 0.48 0.16 -0.62 2.33 3.64 -0.50 -1.35 116.57 120.71 3kc1 h LYS 333 Ca 0.10 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.47 3kc1 h LYS 333 Cb 0.37 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 3kc1 h LYS 333 CO 0.01 0.16 0.00 0.72 -2.27 0.00 0.00 179.45 178.07 3kc1 n HIS 334 N -4.47 0.83 0.32 1.91 8.25 -0.84 -5.11 115.22 116.11 3kc1 n HIS 334 Ca -0.01 -0.41 0.04 0.00 -0.26 0.00 0.00 57.72 57.07 3kc1 n HIS 334 Cb 0.12 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.26 3kc1 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41