#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 4.43 -3.93 2.53 0.24 -1.26 -5.03 118.33 115.30 3kc1 n VAL 10 Ca 0.00 -0.46 -0.10 0.00 -2.04 0.00 0.00 64.34 61.73 3kc1 n VAL 10 Cb 0.00 -1.40 -0.12 0.00 -1.47 0.00 0.00 33.84 30.85 3kc1 n VAL 10 CO 0.00 0.00 0.00 0.21 -2.14 0.00 0.00 176.83 174.90 3kc1 s ASN 11 N -1.45 0.14 0.36 -1.34 3.04 -1.26 -5.08 114.94 109.34 3kc1 s ASN 11 Ca 0.81 -0.30 0.09 0.00 0.04 0.00 0.00 52.86 53.50 3kc1 s ASN 11 Cb -0.37 0.07 -0.07 0.00 -1.54 0.00 0.00 41.25 39.34 3kc1 s ASN 11 CO 0.42 -0.19 -0.07 0.42 -3.04 0.00 0.00 177.10 174.64 3kc1 s THR 12 N -0.91 2.17 0.18 -5.21 -4.23 -1.26 -1.60 115.64 104.78 3kc1 s THR 12 Ca -0.10 -2.16 -0.13 0.00 -1.18 0.00 0.00 61.69 58.13 3kc1 s THR 12 Cb -0.06 -2.72 0.08 0.00 1.34 0.00 0.00 72.50 71.14 3kc1 s THR 12 CO -0.01 -0.16 1.79 0.25 -0.54 0.00 0.00 174.62 175.96 3kc1 h LEU 13 N 1.97 0.74 -0.12 4.79 5.85 -1.63 0.10 115.31 127.00 3kc1 h LEU 13 Ca -0.42 -0.09 0.01 0.00 0.84 0.00 0.00 57.88 58.22 3kc1 h LEU 13 Cb 1.25 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.07 3kc1 h LEU 13 CO 0.73 0.61 0.03 0.74 -0.34 0.00 0.00 178.44 180.21 3kc1 h THR 14 N 0.80 0.95 -0.35 1.05 2.02 -1.96 -0.62 112.91 114.80 3kc1 h THR 14 Ca 0.21 -0.03 -0.04 0.00 0.77 0.00 0.00 66.41 67.33 3kc1 h THR 14 Cb 0.03 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.29 3kc1 h THR 14 CO -0.03 0.01 0.08 -0.09 0.37 0.00 0.00 175.52 175.86 3kc1 h ARG 15 N 0.08 0.56 -0.10 6.66 2.43 -1.90 -1.78 114.38 120.34 3kc1 h ARG 15 Ca 0.05 -0.14 0.01 0.00 -0.81 0.00 0.00 59.98 59.09 3kc1 h ARG 15 Cb 0.04 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.51 3kc1 h ARG 15 CO -0.07 0.62 0.05 0.35 -1.51 0.00 0.00 179.97 179.41 3kc1 h PHE 16 N 0.41 0.09 -0.55 2.20 3.57 -0.64 -1.88 116.94 120.14 3kc1 h PHE 16 Ca 0.11 0.00 -0.08 0.00 3.53 0.00 0.00 57.97 61.53 3kc1 h PHE 16 Cb 0.31 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 3kc1 h PHE 16 CO 0.02 0.05 0.02 0.28 -2.23 0.00 0.00 178.31 176.45 3kc1 h VAL 17 N 0.11 1.26 -0.70 1.41 2.07 -1.10 -2.05 116.25 117.25 3kc1 h VAL 17 Ca 0.04 -1.08 0.01 0.00 0.82 0.00 0.00 66.70 66.49 3kc1 h VAL 17 Cb 0.01 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.62 3kc1 h VAL 17 CO -0.03 0.39 0.46 -0.03 0.02 0.00 0.00 177.57 178.38 3kc1 h MET 18 N 0.83 0.92 -0.06 1.57 1.85 -1.20 0.32 114.93 119.15 3kc1 h MET 18 Ca 0.16 -0.06 -0.01 0.00 -0.61 0.00 0.00 59.70 59.18 3kc1 h MET 18 Cb 0.51 -0.21 -0.00 0.00 0.43 0.00 0.00 31.60 32.33 3kc1 h MET 18 CO 0.02 0.61 0.00 1.49 -0.40 0.00 0.00 176.91 178.63 3kc1 h GLU 19 N 0.94 0.11 -0.66 0.39 4.22 -1.20 -0.62 114.58 117.76 3kc1 h GLU 19 Ca 0.26 -0.03 0.02 0.00 0.08 0.00 0.00 59.36 59.69 3kc1 h GLU 19 Cb -0.10 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3kc1 h GLU 19 CO -0.06 0.37 0.42 0.93 -2.18 0.00 0.00 179.01 178.49 3kc1 h GLU 20 N -0.17 0.81 -0.94 1.92 4.39 -1.22 -1.84 114.58 117.54 3kc1 h GLU 20 Ca 0.02 -0.05 -0.00 0.00 0.34 0.00 0.00 59.36 59.67 3kc1 h GLU 20 Cb 0.31 -0.18 -0.05 0.00 -0.10 0.00 0.00 28.75 28.74 3kc1 h GLU 20 CO 0.00 0.54 0.58 0.78 -1.16 0.00 0.00 179.01 179.75 3kc1 h GLY 21 N 0.84 1.35 1.03 -3.84 0.00 -0.81 -2.35 103.07 99.29 3kc1 h GLY 21 Ca 0.26 -0.55 -0.02 0.00 0.00 0.00 0.00 47.33 47.02 3kc1 h GLY 21 CO -0.09 0.54 0.49 -0.09 0.00 0.00 0.00 176.54 177.39 3kc1 h ARG 22 N 1.29 1.26 0.00 4.80 2.43 -0.44 -2.20 114.38 121.52 3kc1 h ARG 22 Ca 0.34 -0.15 -0.05 0.00 -0.81 0.00 0.00 59.98 59.31 3kc1 h ARG 22 Cb -0.08 -0.25 -0.01 0.00 -0.42 0.00 0.00 29.97 29.22 3kc1 h ARG 22 CO -0.07 0.92 -0.22 0.87 -1.51 0.00 0.00 179.97 179.97 3kc1 h LYS 23 N 1.26 0.00 0.00 0.20 1.57 -0.84 -2.37 116.57 116.39 3kc1 h LYS 23 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 3kc1 h LYS 23 Cb 0.03 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.34 3kc1 h LYS 23 CO -0.05 0.22 0.00 0.00 -0.57 0.00 0.00 179.45 179.05 3kc1 h ALA 24 N 1.78 1.00 -6.39 3.86 0.00 -1.03 -3.47 119.26 115.01 3kc1 h ALA 24 Ca -0.00 0.00 -0.48 0.00 0.00 0.00 0.00 54.91 54.43 3kc1 h ALA 24 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.17 3kc1 h ALA 24 CO 0.03 0.00 -0.85 0.54 0.00 0.00 0.00 179.25 178.97 3kc1 n ARG 25 N -2.51 -4.04 0.00 0.00 1.74 -0.89 -4.97 116.66 105.98 3kc1 n ARG 25 Ca 0.03 0.49 0.00 0.00 -0.77 0.00 0.00 57.85 57.60 3kc1 n ARG 25 Cb 0.36 -4.91 0.00 0.00 -1.02 0.00 0.00 32.46 26.89 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 -1.76 2.69 0.11 -0.13 0.00 -1.26 -5.03 105.19 99.81 3kc1 n GLY 26 Ca -0.21 -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 -0.86 0.00 0.00 -0.55 0.00 0.00 66.41 65.00 3kc1 h THR 27 Cb 0.00 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 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 1.22 0.62 0.10 5.82 0.00 -1.26 -4.99 105.19 106.70 3kc1 n GLY 28 Ca 0.01 0.00 -0.12 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 4.46 -0.11 -0.29 1.61 5.08 -1.97 -2.08 114.58 121.28 3kc1 h GLU 29 Ca 0.00 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3kc1 h GLU 29 Cb 0.00 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.26 3kc1 h GLU 29 CO 0.00 -0.08 0.19 1.25 -1.00 0.00 0.00 179.01 179.38 3kc1 h LEU 30 N -0.12 0.33 -0.22 1.33 5.85 -1.94 0.17 115.31 120.71 3kc1 h LEU 30 Ca 0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 3kc1 h LEU 30 Cb 0.13 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.07 3kc1 h LEU 30 CO -0.04 0.24 0.10 0.74 -0.34 0.00 0.00 178.44 179.14 3kc1 h THR 31 N 0.39 1.16 -0.36 1.05 2.02 -1.82 0.32 112.91 115.68 3kc1 h THR 31 Ca 0.11 -0.47 -0.10 0.00 0.77 0.00 0.00 66.41 66.72 3kc1 h THR 31 Cb -0.04 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.41 3kc1 h THR 31 CO -0.02 0.16 -0.17 1.56 0.37 0.00 0.00 175.52 177.41 3kc1 h GLN 32 N 0.22 0.66 -0.22 6.66 1.08 -0.57 -0.26 115.11 122.67 3kc1 h GLN 32 Ca 0.08 -0.23 -0.01 0.00 -1.45 0.00 0.00 58.65 57.03 3kc1 h GLN 32 Cb 0.16 -0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 3kc1 h GLN 32 CO -0.01 0.80 0.08 1.25 -0.95 0.00 0.00 178.83 180.01 3kc1 h LEU 33 N 0.59 0.31 -0.74 1.46 6.46 -0.41 -1.03 115.31 121.95 3kc1 h LEU 33 Ca 0.09 -0.17 -0.11 0.00 -0.12 0.00 0.00 57.88 57.57 3kc1 h LEU 33 Cb 0.63 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.47 3kc1 h LEU 33 CO 0.04 0.39 -0.24 -0.07 -0.62 0.00 0.00 178.44 177.95 3kc1 h LEU 34 N 0.20 0.71 -0.46 2.25 3.38 -0.76 -0.58 115.31 120.06 3kc1 h LEU 34 Ca 0.07 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 3kc1 h LEU 34 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3kc1 h LEU 34 CO -0.01 0.93 0.25 0.78 0.09 0.00 0.00 178.44 180.49 3kc1 h ASN 35 N 0.61 0.58 -0.61 -0.43 -0.26 -0.89 0.80 115.58 115.38 3kc1 h ASN 35 Ca 0.08 -0.09 -0.09 0.00 -0.56 0.00 0.00 56.30 55.64 3kc1 h ASN 35 Cb 0.73 -0.15 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 3kc1 h ASN 35 CO 0.06 0.51 0.01 0.28 -1.06 0.00 0.00 177.43 177.22 3kc1 h SER 36 N 0.61 1.04 -0.62 5.81 0.02 -0.99 -1.75 113.55 117.67 3kc1 h SER 36 Ca 0.16 -0.30 -0.06 0.00 -0.84 0.00 0.00 61.79 60.75 3kc1 h SER 36 Cb 0.06 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.29 3kc1 h SER 36 CO -0.03 1.09 0.17 0.25 -1.14 0.00 0.00 176.83 177.17 3kc1 h LEU 37 N 0.96 0.92 -0.39 5.07 5.85 -0.79 -1.76 115.31 125.17 3kc1 h LEU 37 Ca 0.17 -0.22 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3kc1 h LEU 37 Cb 0.55 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 3kc1 h LEU 37 CO 0.03 0.91 0.18 0.00 -0.34 0.00 0.00 178.44 179.22 3kc1 h THR 39 N 0.37 1.20 -0.63 0.00 2.02 -1.06 -1.91 112.91 112.89 3kc1 h THR 39 Ca 0.17 -0.47 -0.02 0.00 0.77 0.00 0.00 66.41 66.86 3kc1 h THR 39 Cb 0.10 0.30 -0.03 0.00 -1.74 0.00 0.00 68.15 66.78 3kc1 h THR 39 CO -0.14 0.21 0.32 0.00 0.37 0.00 0.00 175.52 176.28 3kc1 h ALA 40 N 1.20 0.82 -0.98 6.16 0.00 -0.72 -2.08 119.26 123.65 3kc1 h ALA 40 Ca 0.24 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3kc1 h ALA 40 Cb 0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 17.49 3kc1 h ALA 40 CO -0.04 0.37 0.62 0.28 0.00 0.00 0.00 179.25 180.48 3kc1 h VAL 41 N 0.87 1.26 -0.23 0.00 2.07 -0.62 0.76 116.25 120.35 3kc1 h VAL 41 Ca 0.22 -0.51 -0.09 0.00 0.82 0.00 0.00 66.70 67.14 3kc1 h VAL 41 Cb 0.10 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.70 3kc1 h VAL 41 CO -0.03 0.26 -0.23 0.11 0.02 0.00 0.00 177.57 177.70 3kc1 h LYS 42 N 1.34 0.43 -0.36 1.57 1.57 -0.96 0.88 116.57 121.04 3kc1 h LYS 42 Ca 0.36 -0.15 -0.15 0.00 -1.87 0.00 0.00 60.65 58.84 3kc1 h LYS 42 Cb -0.11 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 3kc1 h LYS 42 CO -0.07 0.63 -0.35 0.00 -0.57 0.00 0.00 179.45 179.09 3kc1 h ALA 43 N 1.38 0.53 -0.35 3.86 0.00 -0.67 -1.34 119.26 122.67 3kc1 h ALA 43 Ca 0.06 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 3kc1 h ALA 43 Cb 0.61 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 3kc1 h ALA 43 CO 0.04 0.60 0.05 0.82 0.00 0.00 0.00 179.25 180.77 3kc1 h ILE 44 N 0.67 1.24 -0.44 0.00 2.04 -0.56 -2.10 117.51 118.36 3kc1 h ILE 44 Ca 0.06 -0.85 0.04 0.00 1.00 0.00 0.00 64.86 65.11 3kc1 h ILE 44 Cb 0.94 1.12 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 3kc1 h ILE 44 CO 0.09 0.28 0.19 -1.28 0.00 0.00 0.00 178.15 177.43 3kc1 h SER 45 N 0.41 0.25 -0.64 1.72 0.87 -0.72 0.21 113.55 115.65 3kc1 h SER 45 Ca 0.10 0.03 0.03 0.00 -1.23 0.00 0.00 61.79 60.73 3kc1 h SER 45 Cb 0.37 -0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.28 3kc1 h SER 45 CO 0.01 0.18 0.40 -1.28 -0.53 0.00 0.00 176.83 175.61 3kc1 h SER 46 N 0.39 0.66 -0.06 6.23 0.87 -1.06 -0.80 113.55 119.77 3kc1 h SER 46 Ca 0.20 -0.00 -0.17 0.00 -1.23 0.00 0.00 61.79 60.59 3kc1 h SER 46 Cb 0.14 -0.14 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 3kc1 h SER 46 CO -0.17 0.46 -0.54 0.00 -0.53 0.00 0.00 176.83 176.06 3kc1 h ALA 47 N 1.27 0.64 -0.66 6.23 0.00 -0.76 -2.60 119.26 123.38 3kc1 h ALA 47 Ca 0.26 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 3kc1 h ALA 47 Cb 0.01 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3kc1 h ALA 47 CO -0.10 0.69 0.30 0.28 0.00 0.00 0.00 179.25 180.42 3kc1 h VAL 48 N 0.50 1.23 0.00 0.00 2.07 -0.14 -0.51 116.25 119.39 3kc1 h VAL 48 Ca 0.01 -0.67 0.00 0.00 0.82 0.00 0.00 66.70 66.86 3kc1 h VAL 48 Cb 1.10 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3kc1 h VAL 48 CO 0.11 0.27 0.00 0.54 0.02 0.00 0.00 177.57 178.51 3kc1 n ARG 49 N -4.45 0.64 -2.49 1.57 3.00 -0.35 -4.87 116.66 109.72 3kc1 n ARG 49 Ca 0.05 0.00 -0.12 0.00 -0.01 0.00 0.00 57.85 57.77 3kc1 n ARG 49 Cb 0.14 -1.26 0.01 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 -0.76 -1.97 -1.99 5.56 4.76 -0.20 -4.98 118.16 118.58 3kc1 n LYS 50 Ca 0.08 0.52 -0.41 0.00 -2.87 0.00 0.00 58.31 55.62 3kc1 n LYS 50 Cb 0.04 -4.56 -0.02 0.00 -1.84 0.00 0.00 35.03 28.64 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 -2.75 3.66 0.00 7.82 0.00 -0.99 -2.11 121.76 127.39 3kc1 s ALA 51 Ca 0.10 1.35 0.00 0.00 0.00 0.00 0.00 51.96 53.40 3kc1 s ALA 51 Cb -0.04 -3.57 0.00 0.00 0.00 0.00 0.00 23.12 19.50 3kc1 s ALA 51 CO 0.12 -0.76 0.00 0.41 0.00 0.00 0.00 175.76 175.53 3kc1 n GLY 52 N 2.47 0.81 0.30 0.00 0.00 -1.26 -4.86 105.19 102.65 3kc1 n GLY 52 Ca 0.08 0.00 0.17 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 0.41 -0.64 -0.61 2.10 -1.83 -1.35 117.51 115.59 3kc1 h ILE 53 Ca 0.00 -0.06 0.04 0.00 1.08 0.00 0.00 64.86 65.92 3kc1 h ILE 53 Cb 0.00 1.04 -0.04 0.00 -1.09 0.00 0.00 36.82 36.73 3kc1 h ILE 53 CO 0.00 0.01 0.42 0.00 -1.08 0.00 0.00 178.15 177.51 3kc1 h ALA 54 N 1.99 1.68 0.00 0.18 0.00 -1.90 -0.51 119.26 120.69 3kc1 h ALA 54 Ca -0.00 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 3kc1 h ALA 54 Cb 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 3kc1 h ALA 54 CO 0.00 0.24 -0.34 0.45 0.00 0.00 0.00 179.25 179.61 3kc1 h HIS 55 N 0.73 0.00 0.00 0.00 3.86 -1.65 -2.08 115.15 116.01 3kc1 h HIS 55 Ca 0.26 0.00 -0.11 0.00 -1.16 0.00 0.00 60.37 59.36 3kc1 h HIS 55 Cb 0.13 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.58 3kc1 h HIS 55 CO -0.00 0.34 -0.52 1.25 0.86 0.00 0.00 177.93 179.86 3kc1 h LEU 56 N 0.00 0.00 -3.17 2.43 5.85 -1.17 -3.06 115.31 116.19 3kc1 h LEU 56 Ca -0.00 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.69 3kc1 h LEU 56 Cb 0.69 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.71 3kc1 h LEU 56 CO 0.04 0.52 0.03 -1.22 -0.34 0.00 0.00 178.44 177.47 3kc1 n TYR 57 N -3.69 1.80 -1.29 1.25 4.02 -0.83 -4.94 117.16 113.49 3kc1 n TYR 57 Ca -0.01 -0.67 0.00 0.00 -0.01 0.00 0.00 57.90 57.22 3kc1 n TYR 57 Cb 0.57 -0.47 0.00 0.00 -0.02 0.00 0.00 39.34 39.42 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 0.44 0.47 0.27 2.72 0.00 -1.16 -4.96 105.19 102.97 3kc1 n GLY 58 Ca 0.25 -0.92 0.10 0.00 0.00 0.00 0.00 46.02 45.44 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 0.94 -0.51 -0.61 2.10 -1.64 -1.28 117.51 116.50 3kc1 h ILE 59 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3kc1 h ILE 59 Cb 0.38 0.97 0.00 0.00 -1.09 0.00 0.00 36.82 37.08 3kc1 h ILE 59 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.15 177.07 3kc1 n ALA 60 N -2.53 2.68 -0.07 0.18 0.00 -1.26 -5.07 120.51 114.44 3kc1 n ALA 60 Ca -0.02 -1.52 0.00 0.00 0.00 0.00 0.00 53.44 51.90 3kc1 n ALA 60 Cb 0.14 -0.78 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 0.78 0.54 3.95 0.00 0.00 -0.49 -5.21 105.19 104.76 3kc1 n GLY 61 Ca 0.21 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.99 3kc1 n GLY 61 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc1 s LYS 71 N -0.93 3.48 0.57 1.61 -2.85 -1.26 -4.73 119.74 115.62 3kc1 s LYS 71 Ca 0.00 -0.39 -0.19 0.00 -1.00 0.00 0.00 55.97 54.38 3kc1 s LYS 71 Cb 0.00 -2.70 -0.06 0.00 -2.06 0.00 0.00 37.83 33.01 3kc1 s LYS 71 CO 0.00 0.19 0.90 1.63 0.10 0.00 0.00 175.35 178.17 3kc1 n LYS 72 N -1.71 0.91 -0.32 1.78 5.02 -1.26 -4.73 118.16 117.85 3kc1 n LYS 72 Ca -0.05 0.35 -0.04 0.00 -2.02 0.00 0.00 58.31 56.55 3kc1 n LYS 72 Cb 0.56 -2.07 0.08 0.00 -0.02 0.00 0.00 35.03 33.59 3kc1 n LYS 72 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3kc1 h LEU 73 N 0.62 1.01 -0.78 -0.35 5.85 -1.98 -0.63 115.31 119.05 3kc1 h LEU 73 Ca -0.47 -0.05 -0.03 0.00 0.84 0.00 0.00 57.88 58.16 3kc1 h LEU 73 Cb 1.37 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.10 3kc1 h LEU 73 CO 0.51 0.76 0.36 -2.24 -0.34 0.00 0.00 178.44 177.50 3kc1 h ASP 74 N 1.17 1.03 -0.25 1.25 2.03 -1.94 0.48 116.42 120.19 3kc1 h ASP 74 Ca 0.31 -0.14 -0.08 0.00 -0.73 0.00 0.00 57.03 56.39 3kc1 h ASP 74 Cb -0.08 -0.27 -0.01 0.00 -0.83 0.00 0.00 39.33 38.15 3kc1 h ASP 74 CO -0.06 0.89 -0.16 0.58 -1.03 0.00 0.00 179.24 179.46 3kc1 h VAL 75 N 1.11 1.31 -0.56 4.15 2.07 -1.82 -1.91 116.25 120.59 3kc1 h VAL 75 Ca 0.27 -1.27 0.01 0.00 0.82 0.00 0.00 66.70 66.53 3kc1 h VAL 75 Cb 0.14 1.58 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 3kc1 h VAL 75 CO -0.03 0.40 0.36 0.25 0.02 0.00 0.00 177.57 178.57 3kc1 h LEU 76 N 0.28 0.61 -0.60 2.57 5.85 -0.88 -0.76 115.31 122.39 3kc1 h LEU 76 Ca 0.05 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3kc1 h LEU 76 Cb 0.68 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3kc1 h LEU 76 CO 0.04 0.44 0.39 0.28 -0.34 0.00 0.00 178.44 179.25 3kc1 h SER 77 N 0.73 0.70 -0.53 1.25 0.02 -0.82 0.19 113.55 115.08 3kc1 h SER 77 Ca 0.21 -0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 61.09 3kc1 h SER 77 Cb -0.05 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.29 3kc1 h SER 77 CO -0.06 0.52 0.18 -1.13 -1.14 0.00 0.00 176.83 175.20 3kc1 h ASN 78 N 0.81 0.76 -0.81 3.07 -1.24 -0.98 -1.74 115.58 115.45 3kc1 h ASN 78 Ca 0.22 -0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.03 3kc1 h ASN 78 Cb -0.07 -0.20 -0.04 0.00 0.73 0.00 0.00 38.32 38.74 3kc1 h ASN 78 CO -0.05 0.76 0.50 0.44 -1.29 0.00 0.00 177.43 177.79 3kc1 h ASP 79 N 0.73 0.97 -0.10 1.15 3.32 -0.67 0.46 116.42 122.27 3kc1 h ASP 79 Ca 0.17 -0.05 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 3kc1 h ASP 79 Cb 0.25 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3kc1 h ASP 79 CO -0.01 0.74 0.04 -0.07 -1.72 0.00 0.00 179.24 178.22 3kc1 h LEU 80 N 1.11 0.14 0.02 1.55 3.38 -0.66 -0.53 115.31 120.32 3kc1 h LEU 80 Ca 0.29 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 58.10 3kc1 h LEU 80 Cb -0.06 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3kc1 h LEU 80 CO -0.06 0.26 -0.01 0.58 0.09 0.00 0.00 178.44 179.31 3kc1 h VAL 81 N 0.01 1.15 -0.02 1.22 2.07 -1.14 -1.33 116.25 118.21 3kc1 h VAL 81 Ca 0.03 -0.49 0.03 0.00 0.82 0.00 0.00 66.70 67.09 3kc1 h VAL 81 Cb 0.16 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 3kc1 h VAL 81 CO -0.00 0.13 -0.22 0.24 0.02 0.00 0.00 177.57 177.74 3kc1 h MET 82 N -0.23 -0.32 -0.45 1.57 2.86 -0.89 -0.05 114.93 117.41 3kc1 h MET 82 Ca -0.00 0.02 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3kc1 h MET 82 Cb 0.22 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.94 3kc1 h MET 82 CO 0.00 -0.21 0.19 -0.97 1.06 0.00 0.00 176.91 176.98 3kc1 h ASN 83 N -0.33 0.61 -0.61 1.22 -0.73 -1.09 -0.50 115.58 114.15 3kc1 h ASN 83 Ca 0.07 -0.16 -0.08 0.00 1.87 0.00 0.00 56.30 58.00 3kc1 h ASN 83 Cb 0.42 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.83 3kc1 h ASN 83 CO -0.21 0.60 0.07 0.24 -0.37 0.00 0.00 177.43 177.76 3kc1 h MET 84 N 0.58 1.04 -0.37 6.67 2.86 -1.08 -1.22 114.93 123.41 3kc1 h MET 84 Ca 0.15 -0.30 -0.07 0.00 -2.06 0.00 0.00 59.70 57.42 3kc1 h MET 84 Cb 0.18 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3kc1 h MET 84 CO -0.01 0.98 -0.06 -0.07 1.06 0.00 0.00 176.91 178.81 3kc1 h LEU 85 N 0.94 0.69 -0.23 1.22 3.38 -0.87 -2.21 115.31 118.24 3kc1 h LEU 85 Ca 0.18 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.81 3kc1 h LEU 85 Cb 0.47 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 3kc1 h LEU 85 CO 0.02 0.87 0.15 0.11 0.09 0.00 0.00 178.44 179.68 3kc1 h LYS 86 N 0.49 0.30 0.00 1.13 1.57 -1.00 -2.22 116.57 116.84 3kc1 h LYS 86 Ca 0.10 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 3kc1 h LYS 86 Cb 0.55 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.80 3kc1 h LYS 86 CO 0.03 0.20 0.00 -1.13 -0.57 0.00 0.00 179.45 177.99 3kc1 n SER 87 N -4.93 0.00 0.19 0.86 3.41 -0.47 -2.43 113.62 110.26 3kc1 n SER 87 Ca -0.03 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.79 3kc1 n SER 87 Cb 0.03 -0.29 0.31 0.00 -0.26 0.00 0.00 64.21 64.00 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 -0.67 4.04 4.64 -0.75 -3.47 113.55 117.34 3kc1 h SER 88 Ca 0.00 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.03 3kc1 h SER 88 Cb 0.15 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.13 3kc1 h SER 88 CO 0.00 0.00 -0.26 0.49 -0.87 0.00 0.00 176.83 176.19 3kc1 n PHE 89 N -2.85 0.00 0.40 4.77 3.72 -1.02 -4.79 117.46 117.69 3kc1 n PHE 89 Ca 0.04 0.00 0.05 0.00 -0.05 0.00 0.00 57.45 57.49 3kc1 n PHE 89 Cb 0.46 -2.68 0.03 0.00 -0.94 0.00 0.00 39.48 36.35 3kc1 n PHE 89 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3kc1 n ALA 90 N 1.26 2.57 -2.44 4.37 0.00 -1.26 -3.57 120.51 121.43 3kc1 n ALA 90 Ca -0.14 -0.53 -0.22 0.00 0.00 0.00 0.00 53.44 52.55 3kc1 n ALA 90 Cb 0.52 -0.32 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 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 -0.94 1.98 0.00 0.00 -4.23 -1.26 -1.59 115.64 109.60 3kc1 s THR 91 Ca 0.10 -2.23 0.00 0.00 -1.18 0.00 0.00 61.69 58.39 3kc1 s THR 91 Cb 0.08 -2.37 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3kc1 s THR 91 CO 0.15 -0.37 0.00 0.00 -0.54 0.00 0.00 174.62 173.87 3kc1 s VAL 93 N -1.13 0.21 -0.14 0.00 1.01 -1.24 -1.73 120.40 117.38 3kc1 s VAL 93 Ca 0.00 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.07 3kc1 s VAL 93 Cb 0.00 -0.31 0.02 0.00 0.00 0.00 0.00 36.38 36.09 3kc1 s VAL 93 CO 0.00 0.16 -0.13 -0.76 0.00 0.00 0.00 175.10 174.37 3kc1 s LEU 94 N 1.13 1.58 -0.20 3.92 1.43 0.24 -1.50 118.68 125.27 3kc1 s LEU 94 Ca -0.08 -0.44 -0.04 0.00 -1.03 0.00 0.00 54.13 52.53 3kc1 s LEU 94 Cb -0.13 -1.10 -0.02 0.00 0.03 0.00 0.00 46.19 44.97 3kc1 s LEU 94 CO -0.02 -0.07 -0.04 -0.69 0.23 0.00 0.00 176.35 175.77 3kc1 s VAL 95 N 1.52 3.55 0.09 -1.59 1.01 0.62 -0.27 120.40 125.33 3kc1 s VAL 95 Ca 0.05 -0.45 0.08 0.00 0.00 0.00 0.00 61.98 61.66 3kc1 s VAL 95 Cb -0.13 -2.59 -0.03 0.00 0.00 0.00 0.00 36.38 33.62 3kc1 s VAL 95 CO -0.10 0.44 -0.22 -0.55 0.00 0.00 0.00 175.10 174.67 3kc1 s SER 96 N 1.15 2.62 0.59 3.32 0.15 -1.26 -0.35 113.70 119.92 3kc1 s SER 96 Ca 0.02 -0.65 0.37 0.00 0.70 0.00 0.00 55.95 56.39 3kc1 s SER 96 Cb -0.15 -0.17 1.77 0.00 -1.71 0.00 0.00 66.02 65.77 3kc1 s SER 96 CO -0.00 0.10 2.14 -0.08 1.20 0.00 0.00 173.24 176.60 3kc1 h GLU 97 N 4.28 0.00 0.00 5.44 4.22 -1.86 -2.62 114.58 124.04 3kc1 h GLU 97 Ca -0.46 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 58.85 3kc1 h GLU 97 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3kc1 h GLU 97 CO 0.41 0.02 -0.76 0.93 -2.18 0.00 0.00 179.01 177.42 3kc1 h GLU 98 N 0.00 0.00 -5.59 1.92 4.39 -1.95 -3.46 114.58 109.89 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 0.31 0.00 -0.22 0.00 -0.10 0.00 0.00 28.75 28.74 3kc1 h GLU 98 CO 0.00 0.49 -0.69 -0.51 -1.16 0.00 0.00 179.01 177.14 3kc1 s ASP 99 N -6.32 4.60 0.16 1.42 1.01 -0.99 -5.03 116.67 111.52 3kc1 s ASP 99 Ca 0.02 -0.13 -0.15 0.00 0.71 0.00 0.00 52.55 53.00 3kc1 s ASP 99 Cb 0.08 -1.54 0.04 0.00 1.01 0.00 0.00 42.92 42.50 3kc1 s ASP 99 CO 0.77 0.23 1.80 0.50 0.21 0.00 0.00 175.17 178.68 3kc1 h LYS 100 N 6.21 0.63 -6.16 8.23 3.64 -1.90 -3.42 116.57 123.79 3kc1 h LYS 100 Ca -0.36 -0.05 -0.56 0.00 -1.27 0.00 0.00 60.65 58.41 3kc1 h LYS 100 Cb 1.19 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 32.82 3kc1 h LYS 100 CO 0.58 0.45 -0.54 -1.01 -2.27 0.00 0.00 179.45 176.66 3kc1 s HIS 101 N -6.04 3.23 0.43 1.91 3.76 -1.26 -4.98 115.29 112.34 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 0.11 -1.55 -0.08 0.00 1.11 0.00 0.00 32.58 32.18 3kc1 s HIS 101 CO 0.74 0.52 1.24 0.00 -0.85 0.00 0.00 174.74 176.39 3kc1 s ALA 102 N -1.76 3.14 -0.14 -1.40 0.00 -1.26 -4.83 121.76 115.50 3kc1 s ALA 102 Ca 0.32 1.11 -0.19 0.00 0.00 0.00 0.00 51.96 53.20 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 -0.75 0.50 0.42 0.00 0.00 0.00 175.76 176.18 3kc1 s ILE 103 N -1.36 5.16 -0.28 0.00 -1.09 0.63 -4.93 121.20 119.32 3kc1 s ILE 103 Ca 0.59 0.99 -0.10 0.00 -2.23 0.00 0.00 60.65 59.90 3kc1 s ILE 103 Cb -0.34 -3.84 -0.04 0.00 -1.58 0.00 0.00 42.46 36.66 3kc1 s ILE 103 CO 0.43 0.28 0.17 -0.63 -1.23 0.00 0.00 174.94 173.96 3kc1 s ILE 104 N 0.90 5.06 0.32 2.92 -1.09 -1.26 -0.59 121.20 127.46 3kc1 s ILE 104 Ca 0.26 0.02 -0.29 0.00 -2.23 0.00 0.00 60.65 58.41 3kc1 s ILE 104 Cb -0.15 -3.43 -0.10 0.00 -1.58 0.00 0.00 42.46 37.19 3kc1 s ILE 104 CO 0.11 0.23 1.39 -0.69 -1.23 0.00 0.00 174.94 174.74 3kc1 s VAL 105 N 1.72 2.55 0.52 2.92 1.01 -0.70 -4.95 120.40 123.46 3kc1 s VAL 105 Ca 0.07 0.52 -0.23 0.00 0.00 0.00 0.00 61.98 62.34 3kc1 s VAL 105 Cb -0.16 -3.33 -0.06 0.00 0.00 0.00 0.00 36.38 32.83 3kc1 s VAL 105 CO 0.09 0.11 1.39 -1.83 0.00 0.00 0.00 175.10 174.86 3kc1 s GLU 106 N -1.43 3.29 0.30 2.72 -1.05 -1.26 -4.79 118.70 116.49 3kc1 s GLU 106 Ca 0.53 2.30 0.05 0.00 -0.15 0.00 0.00 54.97 57.71 3kc1 s GLU 106 Cb -0.42 -2.38 0.81 0.00 -0.44 0.00 0.00 34.13 31.70 3kc1 s GLU 106 CO 0.52 -1.09 1.65 -1.00 0.95 0.00 0.00 175.26 176.29 3kc1 h PRO 107 N 1.71 0.22 0.00 -4.83 0.13 -1.99 -1.58 132.00 125.66 3kc1 h PRO 107 Ca -0.51 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3kc1 h PRO 107 Cb 1.29 -0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3kc1 h PRO 107 CO 0.58 0.15 0.00 0.39 -0.23 0.00 0.00 178.00 178.89 3kc1 n GLU 108 N -5.20 0.64 -0.06 0.86 1.02 -1.26 -2.88 120.64 113.76 3kc1 n GLU 108 Ca 0.24 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.39 3kc1 n GLU 108 Cb 0.76 -1.49 0.01 0.00 -0.02 0.00 0.00 31.44 30.71 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 -0.99 1.24 -2.44 3.49 5.02 -0.61 -5.05 118.16 118.82 3kc1 n LYS 109 Ca 0.15 -1.12 -0.41 0.00 -2.02 0.00 0.00 58.31 54.92 3kc1 n LYS 109 Cb 0.07 -0.78 -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 -0.64 4.58 0.48 1.97 0.52 -1.14 -3.95 118.95 120.77 3kc1 s ARG 110 Ca 0.03 1.82 0.02 0.00 -0.52 0.00 0.00 55.73 57.08 3kc1 s ARG 110 Cb 0.03 -3.21 -0.01 0.00 0.52 0.00 0.00 34.95 32.27 3kc1 s ARG 110 CO 0.00 0.10 0.08 0.20 0.02 0.00 0.00 175.30 175.70 3kc1 s GLY 111 N -0.46 2.92 0.00 -3.53 0.00 0.20 -4.71 107.32 101.74 3kc1 s GLY 111 Ca 0.48 -0.60 0.25 0.00 0.00 0.00 0.00 44.72 44.85 3kc1 s GLY 111 CO 0.39 -2.01 1.79 0.58 0.00 0.00 0.00 173.10 173.85 3kc1 n LYS 112 N -1.13 1.44 -4.00 2.90 2.85 -1.13 -3.13 118.16 115.96 3kc1 n LYS 112 Ca -0.14 -0.65 -0.29 0.00 -1.05 0.00 0.00 58.31 56.19 3kc1 n LYS 112 Cb 0.66 -1.43 -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 3.32 -0.11 5.58 2.02 -0.62 -0.36 117.35 125.23 3kc1 s TYR 113 Ca 0.37 0.10 0.02 0.00 -0.37 0.00 0.00 57.07 57.19 3kc1 s TYR 113 Cb 0.19 -1.64 -0.01 0.00 -0.40 0.00 0.00 41.96 40.10 3kc1 s TYR 113 CO 0.30 0.54 -0.18 0.08 -1.57 0.00 0.00 175.55 174.72 3kc1 s VAL 114 N -1.58 2.64 -0.10 0.71 1.01 0.80 -1.03 120.40 122.85 3kc1 s VAL 114 Ca 0.32 -0.82 0.03 0.00 0.00 0.00 0.00 61.98 61.51 3kc1 s VAL 114 Cb -0.12 -2.07 0.01 0.00 0.00 0.00 0.00 36.38 34.21 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 0.28 1.68 -0.16 2.92 1.01 -0.56 -0.81 120.40 124.75 3kc1 s VAL 115 Ca -0.13 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.05 3kc1 s VAL 115 Cb -0.16 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 3kc1 s VAL 115 CO 0.07 0.48 -0.08 0.00 0.00 0.00 0.00 175.10 175.56 3kc1 s PHE 117 N 0.64 0.06 -0.33 0.00 -0.71 0.53 -0.85 117.98 117.32 3kc1 s PHE 117 Ca -0.05 -0.43 0.03 0.00 -1.04 0.00 0.00 56.93 55.44 3kc1 s PHE 117 Cb -0.15 0.09 0.09 0.00 -1.21 0.00 0.00 43.02 41.84 3kc1 s PHE 117 CO 0.03 -0.66 0.03 0.34 -1.34 0.00 0.00 175.22 173.61 3kc1 s ASP 118 N -2.86 4.75 0.25 1.98 -1.08 0.36 -2.30 116.67 117.77 3kc1 s ASP 118 Ca 0.07 -1.94 -0.03 0.00 -0.52 0.00 0.00 52.55 50.13 3kc1 s ASP 118 Cb 0.03 -1.64 0.47 0.00 -1.46 0.00 0.00 42.92 40.33 3kc1 s ASP 118 CO -0.08 -0.35 1.77 1.55 0.52 0.00 0.00 175.17 178.57 3kc1 h PRO 119 N 7.71 0.59 -2.07 4.34 0.13 -1.86 -1.49 132.00 139.35 3kc1 h PRO 119 Ca -0.09 -0.04 -0.46 0.00 -0.87 0.00 0.00 66.00 64.54 3kc1 h PRO 119 Cb 1.03 -0.13 -0.33 0.00 0.13 0.00 0.00 31.00 31.70 3kc1 h PRO 119 CO 0.53 0.39 -0.81 -1.17 -0.23 0.00 0.00 178.00 176.70 3kc1 s LEU 120 N -10.36 0.53 0.14 1.56 2.96 -1.24 -4.23 118.68 108.04 3kc1 s LEU 120 Ca -0.12 -2.39 -0.31 0.00 -0.22 0.00 0.00 54.13 51.08 3kc1 s LEU 120 Cb 0.21 0.19 -0.09 0.00 0.50 0.00 0.00 46.19 47.00 3kc1 s LEU 120 CO 0.77 -0.19 1.42 -0.62 -1.32 0.00 0.00 176.35 176.42 3kc1 s ASP 121 N 0.64 6.77 0.00 3.68 2.15 0.75 -2.84 116.67 127.82 3kc1 s ASP 121 Ca 0.27 2.41 0.00 0.00 0.43 0.00 0.00 52.55 55.66 3kc1 s ASP 121 Cb -0.05 -2.59 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 3kc1 s ASP 121 CO -0.11 -0.68 0.00 0.61 -0.17 0.00 0.00 175.17 174.83 3kc1 n GLY 122 N 3.33 0.66 0.29 2.66 0.00 -1.26 -1.23 105.19 109.63 3kc1 n GLY 122 Ca 0.11 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.31 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 -0.91 1.61 4.64 -1.87 -2.99 113.55 114.03 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 -0.06 0.00 -0.31 0.00 0.00 62.40 62.03 3kc1 h SER 123 CO 0.00 0.03 0.59 0.28 -0.87 0.00 0.00 176.83 176.85 3kc1 h SER 124 N 0.00 0.86 -0.70 4.97 0.02 -1.92 -0.73 113.55 116.04 3kc1 h SER 124 Ca -0.00 0.02 -0.38 0.00 -0.84 0.00 0.00 61.79 60.59 3kc1 h SER 124 Cb 0.33 -0.16 -0.22 0.00 0.14 0.00 0.00 62.40 62.49 3kc1 h SER 124 CO 0.00 0.52 0.29 0.59 -1.14 0.00 0.00 176.83 177.10 3kc1 n ASN 125 N -4.52 3.45 0.25 3.07 5.03 -1.13 -4.60 115.26 116.80 3kc1 n ASN 125 Ca 0.15 -3.71 0.09 0.00 0.87 0.00 0.00 54.58 51.97 3kc1 n ASN 125 Cb 0.26 -0.74 0.63 0.00 -1.02 0.00 0.00 39.78 38.91 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 1.04 0.88 -0.92 2.41 6.09 -1.18 -2.89 117.51 122.93 3kc1 h ILE 126 Ca 0.44 -0.47 0.17 0.00 -1.37 0.00 0.00 64.86 63.64 3kc1 h ILE 126 Cb 2.16 1.27 -0.10 0.00 0.47 0.00 0.00 36.82 40.62 3kc1 h ILE 126 CO 0.81 0.12 0.50 0.44 -3.07 0.00 0.00 178.15 176.96 3kc1 h ASP 127 N 0.00 0.61 -0.08 2.19 3.32 -1.81 0.22 116.42 120.87 3kc1 h ASP 127 Ca -0.00 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.15 3kc1 h ASP 127 Cb 0.26 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.81 3kc1 h ASP 127 CO 0.02 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.75 3kc1 n LEU 129 N -0.31 -1.61 -4.75 0.00 4.77 0.78 -4.96 117.00 110.93 3kc1 n LEU 129 Ca 0.06 0.22 -0.35 0.00 -0.03 0.00 0.00 56.01 55.91 3kc1 n LEU 129 Cb 0.09 -2.66 0.05 0.00 -2.33 0.00 0.00 43.42 38.56 3kc1 n LEU 129 CO 0.04 -0.59 0.83 0.54 -1.33 0.00 0.00 177.39 176.88 3kc1 s VAL 130 N -2.82 2.59 0.37 4.08 0.11 -1.25 -4.92 120.40 118.56 3kc1 s VAL 130 Ca 0.00 0.34 -0.27 0.00 -2.93 0.00 0.00 61.98 59.12 3kc1 s VAL 130 Cb 0.00 -3.07 -0.11 0.00 -1.53 0.00 0.00 36.38 31.67 3kc1 s VAL 130 CO 0.00 -0.10 1.32 -1.20 -3.33 0.00 0.00 175.10 171.79 3kc1 n SER 131 N -1.86 2.86 -4.38 3.54 7.64 -1.26 -4.83 113.62 115.32 3kc1 n SER 131 Ca 0.13 1.18 -0.21 0.00 1.01 0.00 0.00 58.87 60.99 3kc1 n SER 131 Cb 0.50 -1.51 -0.10 0.00 -1.01 0.00 0.00 64.21 62.08 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 -1.13 0.97 0.25 0.44 -7.23 -1.20 -4.77 120.40 107.73 3kc1 s VAL 132 Ca 0.57 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 58.53 3kc1 s VAL 132 Cb -0.53 -2.71 0.06 0.00 0.56 0.00 0.00 36.38 33.76 3kc1 s VAL 132 CO 0.61 0.00 0.91 -0.83 -0.31 0.00 0.00 175.10 175.49 3kc1 s GLY 133 N -3.46 0.09 -0.12 2.32 0.00 -0.37 -0.35 107.32 105.44 3kc1 s GLY 133 Ca 0.36 -0.36 0.03 0.00 0.00 0.00 0.00 44.72 44.75 3kc1 s GLY 133 CO 0.15 0.80 -0.21 -1.59 0.00 0.00 0.00 173.10 172.26 3kc1 s THR 134 N -2.64 2.33 -0.03 0.90 2.01 -0.26 0.27 115.64 118.21 3kc1 s THR 134 Ca 0.17 -0.92 0.05 0.00 0.31 0.00 0.00 61.69 61.31 3kc1 s THR 134 Cb -0.03 -1.92 -0.02 0.00 0.01 0.00 0.00 72.50 70.53 3kc1 s THR 134 CO 0.07 0.55 -0.19 -0.63 -0.69 0.00 0.00 174.62 173.73 3kc1 s ILE 135 N 0.44 2.70 0.02 1.82 1.01 -0.56 -0.48 121.20 126.14 3kc1 s ILE 135 Ca -0.15 -0.90 -0.09 0.00 0.00 0.00 0.00 60.65 59.51 3kc1 s ILE 135 Cb -0.17 -2.03 0.01 0.00 0.01 0.00 0.00 42.46 40.28 3kc1 s ILE 135 CO 0.06 0.56 0.19 0.72 0.00 0.00 0.00 174.94 176.48 3kc1 s PHE 136 N -0.71 0.01 -0.03 3.97 -0.71 -0.56 -0.49 117.98 119.46 3kc1 s PHE 136 Ca 0.11 -0.13 -0.01 0.00 -1.04 0.00 0.00 56.93 55.87 3kc1 s PHE 136 Cb -0.10 -0.02 0.03 0.00 -1.21 0.00 0.00 43.02 41.72 3kc1 s PHE 136 CO 0.00 -0.37 0.06 0.20 -1.34 0.00 0.00 175.22 173.78 3kc1 s GLY 137 N -1.68 0.06 -0.14 1.99 0.00 -0.03 -1.54 107.32 105.99 3kc1 s GLY 137 Ca -0.10 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.03 3kc1 s GLY 137 CO -0.00 0.77 -0.17 -0.42 0.00 0.00 0.00 173.10 173.28 3kc1 s ILE 138 N 1.09 2.56 0.21 0.90 1.01 0.94 -1.44 121.20 126.47 3kc1 s ILE 138 Ca -0.09 -0.82 0.11 0.00 0.00 0.00 0.00 60.65 59.86 3kc1 s ILE 138 Cb -0.12 -2.06 -0.05 0.00 0.01 0.00 0.00 42.46 40.24 3kc1 s ILE 138 CO -0.04 0.53 -0.23 -0.31 0.00 0.00 0.00 174.94 174.89 3kc1 s TYR 139 N 0.67 2.30 -0.11 3.97 2.02 0.01 -0.82 117.35 125.38 3kc1 s TYR 139 Ca -0.08 -0.36 -0.17 0.00 -0.37 0.00 0.00 57.07 56.09 3kc1 s TYR 139 Cb -0.16 -1.11 -0.04 0.00 -0.40 0.00 0.00 41.96 40.24 3kc1 s TYR 139 CO 0.02 0.53 0.43 0.50 -1.57 0.00 0.00 175.55 175.46 3kc1 s ARG 140 N -2.81 4.28 0.09 -0.62 3.52 -1.26 -0.14 118.95 122.00 3kc1 s ARG 140 Ca 0.22 0.37 -0.33 0.00 -0.13 0.00 0.00 55.73 55.86 3kc1 s ARG 140 Cb -0.07 -3.41 -0.13 0.00 -1.56 0.00 0.00 34.95 29.78 3kc1 s ARG 140 CO 0.11 0.24 1.72 1.17 -0.81 0.00 0.00 175.30 177.72 3kc1 n LYS 141 N 3.43 2.31 -0.10 5.12 4.81 0.51 -4.87 118.16 129.38 3kc1 n LYS 141 Ca -0.09 0.84 -0.18 0.00 -0.87 0.00 0.00 58.31 58.01 3kc1 n LYS 141 Cb 0.52 -2.66 -0.09 0.00 0.02 0.00 0.00 35.03 32.82 3kc1 n LYS 141 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3kc1 h LYS 142 N 7.39 0.00 -7.15 1.64 1.63 -1.89 -3.48 116.57 114.71 3kc1 h LYS 142 Ca -0.46 0.00 -0.48 0.00 -0.85 0.00 0.00 60.65 58.85 3kc1 h LYS 142 Cb 1.25 0.00 0.05 0.00 -0.60 0.00 0.00 32.23 32.93 3kc1 h LYS 142 CO 0.92 0.78 0.38 0.45 -3.45 0.00 0.00 179.45 178.53 3kc1 s SER 143 N -6.60 5.99 0.00 4.20 0.15 -1.26 -4.97 113.70 111.20 3kc1 s SER 143 Ca -0.26 1.87 0.24 0.00 0.70 0.00 0.00 55.95 58.51 3kc1 s SER 143 Cb 0.05 -2.54 0.21 0.00 -1.71 0.00 0.00 66.02 62.03 3kc1 s SER 143 CO 0.51 -1.03 1.25 0.35 1.20 0.00 0.00 173.24 175.52 3kc1 n THR 144 N -1.61 0.00 -1.21 6.45 -2.24 -1.26 -4.96 114.28 109.45 3kc1 n THR 144 Ca 0.09 -0.35 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 3kc1 n THR 144 Cb 0.53 1.24 0.11 0.00 -2.10 0.00 0.00 70.33 70.10 3kc1 n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kc1 s ASP 145 N -2.24 4.06 0.33 3.42 -0.00 -1.26 -4.91 116.67 116.07 3kc1 s ASP 145 Ca 0.24 2.08 -0.26 0.00 -0.00 0.00 0.00 52.55 54.61 3kc1 s ASP 145 Cb 0.19 -2.55 -0.14 0.00 -0.00 0.00 0.00 42.92 40.42 3kc1 s ASP 145 CO 0.44 -2.34 0.78 -0.62 -0.00 0.00 0.00 175.17 173.43 3kc1 n GLU 146 N -3.39 0.89 -1.65 8.23 -0.58 -1.26 -4.77 120.64 118.11 3kc1 n GLU 146 Ca 0.11 0.32 -0.47 0.00 -0.42 0.00 0.00 57.16 56.70 3kc1 n GLU 146 Cb 0.52 -1.63 -0.04 0.00 -0.57 0.00 0.00 31.44 29.72 3kc1 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.48 0.00 0.00 177.13 176.30 3kc1 n PRO 147 N 0.66 1.84 -4.01 3.49 -0.04 -1.26 -4.98 135.00 130.69 3kc1 n PRO 147 Ca 0.11 0.66 -0.13 0.00 -0.04 0.00 0.00 63.50 64.10 3kc1 n PRO 147 Cb 0.34 -2.35 -0.02 0.00 -0.04 0.00 0.00 33.50 31.43 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 0.56 0.65 0.55 3.54 1.04 -1.26 -5.00 113.70 113.77 3kc1 s SER 148 Ca 0.76 -1.38 0.22 0.00 0.48 0.00 0.00 55.95 56.04 3kc1 s SER 148 Cb -0.74 0.71 1.47 0.00 0.10 0.00 0.00 66.02 67.56 3kc1 s SER 148 CO 0.44 -1.39 2.14 1.05 0.98 0.00 0.00 173.24 176.46 3kc1 h GLU 149 N 2.08 0.00 -0.00 4.02 4.11 -1.93 -1.76 114.58 121.10 3kc1 h GLU 149 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 3kc1 h GLU 149 Cb 1.24 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.49 3kc1 h GLU 149 CO 0.39 0.00 0.00 0.87 0.07 0.00 0.00 179.01 180.34 3kc1 h LYS 150 N 0.00 0.00 0.00 1.06 1.57 -1.97 -1.55 116.57 115.68 3kc1 h LYS 150 Ca 0.05 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 3kc1 h LYS 150 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3kc1 h LYS 150 CO -0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 179.45 178.44 3kc1 h ASP 151 N 0.00 0.00 -0.01 0.86 3.32 -1.72 -1.37 116.42 117.51 3kc1 h ASP 151 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kc1 h ASP 151 Cb 0.01 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.56 3kc1 h ASP 151 CO -0.00 0.00 -0.05 0.00 -1.72 0.00 0.00 179.24 177.47 3kc1 n ALA 152 N -1.90 2.63 -2.10 3.45 0.00 -0.58 -4.51 120.51 117.50 3kc1 n ALA 152 Ca 0.00 -0.58 -0.38 0.00 0.00 0.00 0.00 53.44 52.48 3kc1 n ALA 152 Cb 0.18 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.66 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 0.68 7.59 -4.60 0.00 4.77 -0.52 -4.94 117.00 119.98 3kc1 n LEU 153 Ca 0.15 -4.91 -0.30 0.00 -0.03 0.00 0.00 56.01 50.92 3kc1 n LEU 153 Cb 0.48 -1.26 -0.10 0.00 -2.33 0.00 0.00 43.42 40.21 3kc1 n LEU 153 CO 0.17 1.99 -0.40 -1.10 -1.33 0.00 0.00 177.39 176.72 3kc1 s GLN 154 N -2.39 2.27 0.52 3.23 -0.21 -1.26 -4.65 119.66 117.18 3kc1 s GLN 154 Ca 0.50 -0.94 -0.20 0.00 0.02 0.00 0.00 55.36 54.74 3kc1 s GLN 154 Cb 0.24 -2.38 -0.06 0.00 1.00 0.00 0.00 33.01 31.81 3kc1 s GLN 154 CO -0.15 0.53 1.15 -1.25 -2.12 0.00 0.00 175.29 173.45 3kc1 s PRO 155 N -2.09 3.44 0.66 2.91 0.04 -1.26 -4.70 135.00 133.99 3kc1 s PRO 155 Ca 0.21 1.70 0.33 0.00 0.04 0.00 0.00 61.00 63.28 3kc1 s PRO 155 Cb -0.11 -2.13 1.78 0.00 0.04 0.00 0.00 34.50 34.09 3kc1 s PRO 155 CO 0.14 -0.80 2.02 0.78 0.04 0.00 0.00 177.00 179.17 3kc1 h GLY 156 N 1.44 0.00 2.00 0.56 0.00 -1.55 0.00 103.07 105.52 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 0.58 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 -1.32 -1.83 114.38 125.67 3kc1 h ARG 157 Ca 0.02 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 3kc1 h ARG 157 Cb 0.55 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.13 3kc1 h ARG 157 CO -0.00 0.01 -0.07 0.09 2.80 0.00 0.00 179.97 182.80 3kc1 n ASN 158 N -3.40 1.24 -4.67 -3.80 4.13 -0.01 -4.96 115.26 103.78 3kc1 n ASN 158 Ca -0.03 -1.26 -0.44 0.00 1.68 0.00 0.00 54.58 54.54 3kc1 n ASN 158 Cb 0.11 0.03 -0.01 0.00 -1.54 0.00 0.00 39.78 38.36 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 -0.16 3.15 -0.06 3.41 4.77 -0.69 -4.63 117.00 122.79 3kc1 n LEU 159 Ca 0.17 1.18 -0.01 0.00 -0.03 0.00 0.00 56.01 57.33 3kc1 n LEU 159 Cb 0.34 -1.44 -0.16 0.00 -2.33 0.00 0.00 43.42 39.83 3kc1 n LEU 159 CO 0.19 -0.62 -0.96 0.55 -1.33 0.00 0.00 177.39 175.22 3kc1 n VAL 160 N 0.79 0.73 -3.55 4.08 3.14 -0.00 -4.98 118.33 118.53 3kc1 n VAL 160 Ca 0.07 -0.66 -0.16 0.00 -2.96 0.00 0.00 64.34 60.63 3kc1 n VAL 160 Cb 0.34 -0.26 -0.06 0.00 -1.06 0.00 0.00 33.84 32.80 3kc1 n VAL 160 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 3kc1 s ALA 161 N -2.91 -1.81 0.11 1.55 0.00 -1.18 -4.40 121.76 113.13 3kc1 s ALA 161 Ca -0.09 1.50 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 3kc1 s ALA 161 Cb 0.09 -0.36 0.08 0.00 0.00 0.00 0.00 23.12 22.93 3kc1 s ALA 161 CO 0.82 -0.35 0.76 0.00 0.00 0.00 0.00 175.76 176.99 3kc1 s ALA 162 N -0.87 -1.64 0.00 0.00 0.00 -0.52 -0.04 121.76 118.68 3kc1 s ALA 162 Ca -0.07 0.55 0.00 0.00 0.00 0.00 0.00 51.96 52.44 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 0.07 -0.80 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3kc1 n GLY 163 N -0.35 -0.55 3.58 0.00 0.00 -0.59 -0.14 105.19 107.16 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 -3.36 -0.32 -0.11 1.61 1.13 -0.65 -1.49 117.35 114.15 3kc1 s TYR 164 Ca 0.00 0.09 0.03 0.00 -1.41 0.00 0.00 57.07 55.78 3kc1 s TYR 164 Cb 0.00 0.59 -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 -3.41 2.25 -0.21 9.51 0.00 0.37 -0.12 121.76 130.15 3kc1 s ALA 165 Ca 0.06 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.99 3kc1 s ALA 165 Cb -0.02 -0.91 -0.02 0.00 0.00 0.00 0.00 23.12 22.17 3kc1 s ALA 165 CO -0.05 0.22 0.01 -1.17 0.00 0.00 0.00 175.76 174.76 3kc1 s LEU 166 N 0.44 3.25 -1.09 0.00 2.96 0.73 -1.11 118.68 123.87 3kc1 s LEU 166 Ca -0.15 -0.23 -0.07 0.00 -0.22 0.00 0.00 54.13 53.46 3kc1 s LEU 166 Cb -0.17 -1.84 0.28 0.00 0.50 0.00 0.00 46.19 44.96 3kc1 s LEU 166 CO 0.06 0.03 1.19 -1.22 -1.32 0.00 0.00 176.35 175.09 3kc1 n TYR 167 N 4.46 4.41 0.00 5.38 4.01 0.52 -1.63 117.16 134.32 3kc1 n TYR 167 Ca -0.17 -3.59 0.00 0.00 -0.16 0.00 0.00 57.90 53.98 3kc1 n TYR 167 Cb 0.52 -1.54 0.00 0.00 -0.31 0.00 0.00 39.34 38.01 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 2.27 2.43 0.37 2.72 0.00 -1.26 -3.21 105.19 108.51 3kc1 n GLY 168 Ca 0.24 -1.01 0.13 0.00 0.00 0.00 0.00 46.02 45.38 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 0.47 -5.05 1.61 4.64 -2.00 -3.42 113.55 109.81 3kc1 h SER 169 Ca 0.00 0.02 -0.27 0.00 -0.47 0.00 0.00 61.79 61.07 3kc1 h SER 169 Cb 0.00 -0.07 -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 -5.49 1.33 -0.23 5.18 0.00 -1.26 -5.14 121.76 116.16 3kc1 s ALA 170 Ca -0.08 -1.71 -0.09 0.00 0.00 0.00 0.00 51.96 50.08 3kc1 s ALA 170 Cb 0.21 1.08 -0.05 0.00 0.00 0.00 0.00 23.12 24.36 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 -3.94 5.09 -0.00 0.00 2.01 -1.26 -4.48 115.64 113.07 3kc1 s THR 171 Ca 0.34 0.08 0.04 0.00 0.31 0.00 0.00 61.69 62.46 3kc1 s THR 171 Cb 0.07 -3.36 -0.01 0.00 0.01 0.00 0.00 72.50 69.21 3kc1 s THR 171 CO 0.10 0.37 -0.12 -0.32 -0.69 0.00 0.00 174.62 173.96 3kc1 s MET 172 N 0.96 0.93 -0.20 4.92 -2.45 -0.65 -0.57 119.30 122.24 3kc1 s MET 172 Ca 0.06 -0.46 -0.04 0.00 -1.25 0.00 0.00 55.69 54.00 3kc1 s MET 172 Cb -0.13 -0.90 -0.02 0.00 1.25 0.00 0.00 34.83 35.03 3kc1 s MET 172 CO 0.03 0.24 -0.04 -1.17 1.05 0.00 0.00 175.02 175.14 3kc1 s LEU 173 N -0.40 3.02 -0.27 4.11 2.96 0.45 -0.19 118.68 128.36 3kc1 s LEU 173 Ca 0.04 -0.31 -0.07 0.00 -0.22 0.00 0.00 54.13 53.57 3kc1 s LEU 173 Cb -0.05 -1.76 -0.01 0.00 0.50 0.00 0.00 46.19 44.87 3kc1 s LEU 173 CO -0.00 0.04 0.08 -0.69 -1.32 0.00 0.00 176.35 174.46 3kc1 s VAL 174 N 1.15 4.23 -0.16 1.68 1.01 0.82 -0.92 120.40 128.21 3kc1 s VAL 174 Ca 0.02 -0.36 0.00 0.00 0.00 0.00 0.00 61.98 61.65 3kc1 s VAL 174 Cb -0.15 -3.06 0.00 0.00 0.00 0.00 0.00 36.38 33.18 3kc1 s VAL 174 CO -0.00 0.23 -0.15 -0.22 0.00 0.00 0.00 175.10 174.96 3kc1 s LEU 175 N 1.58 2.46 -0.08 3.92 2.96 -0.40 -1.64 118.68 127.48 3kc1 s LEU 175 Ca 0.05 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.51 3kc1 s LEU 175 Cb -0.16 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 44.95 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 0.90 2.46 0.21 5.97 0.00 0.81 -1.18 121.76 130.93 3kc1 s ALA 176 Ca -0.04 -0.97 -0.01 0.00 0.00 0.00 0.00 51.96 50.94 3kc1 s ALA 176 Cb -0.15 -0.95 0.01 0.00 0.00 0.00 0.00 23.12 22.02 3kc1 s ALA 176 CO -0.02 0.39 0.30 -1.33 0.00 0.00 0.00 175.76 175.10 3kc1 n MET 177 N 3.01 0.43 -0.28 0.00 2.81 -0.67 -1.44 117.12 120.98 3kc1 n MET 177 Ca -0.18 -1.62 0.12 0.00 -1.81 0.00 0.00 57.70 54.22 3kc1 n MET 177 Cb 0.52 1.58 0.38 0.00 -0.71 0.00 0.00 33.22 34.99 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 1.15 0.66 0.36 7.83 3.32 -1.94 -0.21 116.42 127.59 3kc1 h ASP 178 Ca -0.16 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3kc1 h ASP 178 Cb 0.70 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 40.16 3kc1 h ASP 178 CO 0.22 0.33 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3kc1 n GLY 180 N 0.01 0.42 3.47 0.00 0.00 -0.09 -4.90 105.19 104.10 3kc1 n GLY 180 Ca 0.06 -2.26 -0.34 0.00 0.00 0.00 0.00 46.02 43.48 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 -0.25 3.85 -0.04 1.61 1.01 -1.26 -1.67 120.40 123.66 3kc1 s VAL 181 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.65 3kc1 s VAL 181 Cb 0.00 -2.70 0.00 0.00 0.00 0.00 0.00 36.38 33.68 3kc1 s VAL 181 CO 0.00 0.47 -0.13 0.20 0.00 0.00 0.00 175.10 175.64 3kc1 s ASN 182 N 0.58 1.70 -0.16 3.32 -0.87 -0.32 -0.22 114.94 118.97 3kc1 s ASN 182 Ca -0.02 -0.27 -0.04 0.00 -1.57 0.00 0.00 52.86 50.96 3kc1 s ASN 182 Cb -0.14 -0.48 -0.03 0.00 -0.02 0.00 0.00 41.25 40.58 3kc1 s ASN 182 CO 0.02 0.10 -0.03 0.00 -2.57 0.00 0.00 177.10 174.63 3kc1 s PHE 184 N 0.43 2.41 -0.15 0.00 0.40 -0.10 -1.06 117.98 119.91 3kc1 s PHE 184 Ca -0.04 -0.87 -0.10 0.00 -0.60 0.00 0.00 56.93 55.32 3kc1 s PHE 184 Cb -0.14 -1.60 -0.05 0.00 0.51 0.00 0.00 43.02 41.74 3kc1 s PHE 184 CO 0.03 -0.32 0.19 1.41 0.70 0.00 0.00 175.22 177.23 3kc1 s MET 185 N 0.15 3.99 -0.20 0.44 1.75 0.15 -0.41 119.30 125.16 3kc1 s MET 185 Ca -0.12 -0.07 -0.28 0.00 -1.25 0.00 0.00 55.69 53.97 3kc1 s MET 185 Cb -0.16 -3.35 0.00 0.00 2.84 0.00 0.00 34.83 34.17 3kc1 s MET 185 CO 0.06 0.44 0.97 -1.17 -0.65 0.00 0.00 175.02 174.67 3kc1 s LEU 186 N -0.09 4.13 -0.53 4.11 2.96 0.26 0.34 118.68 129.87 3kc1 s LEU 186 Ca 0.13 1.31 -0.19 0.00 -0.22 0.00 0.00 54.13 55.17 3kc1 s LEU 186 Cb -0.12 -3.43 0.08 0.00 0.50 0.00 0.00 46.19 43.21 3kc1 s LEU 186 CO 0.02 -0.57 0.63 -0.62 -1.32 0.00 0.00 176.35 174.49 3kc1 s ASP 187 N 1.20 6.20 0.64 3.68 -1.08 0.12 -4.65 116.67 122.79 3kc1 s ASP 187 Ca 0.42 -1.13 0.39 0.00 -0.52 0.00 0.00 52.55 51.71 3kc1 s ASP 187 Cb -0.16 -2.28 2.19 0.00 -1.46 0.00 0.00 42.92 41.21 3kc1 s ASP 187 CO 0.09 -0.94 2.31 1.55 0.52 0.00 0.00 175.17 178.70 3kc1 h PRO 188 N 9.03 0.00 -0.30 4.34 0.13 -1.94 0.29 132.00 143.54 3kc1 h PRO 188 Ca -0.28 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.77 3kc1 h PRO 188 Cb 1.09 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.21 3kc1 h PRO 188 CO 1.00 0.00 -0.13 0.00 -0.23 0.00 0.00 178.00 178.65 3kc1 h ALA 189 N 1.96 1.22 0.00 -0.56 0.00 -1.97 -3.31 119.26 116.61 3kc1 h ALA 189 Ca 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3kc1 h ALA 189 Cb 0.05 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.70 3kc1 h ALA 189 CO -0.00 0.51 0.00 0.44 0.00 0.00 0.00 179.25 180.19 3kc1 n ILE 190 N -4.20 0.32 -3.68 0.00 -5.35 -0.85 -5.03 119.36 100.59 3kc1 n ILE 190 Ca 0.01 -0.50 -0.21 0.00 -0.27 0.00 0.00 62.75 61.78 3kc1 n ILE 190 Cb 0.33 1.01 0.04 0.00 -1.74 0.00 0.00 39.64 39.28 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 -0.16 -0.31 3.00 3.28 0.00 0.96 -4.99 105.19 106.96 3kc1 n GLY 191 Ca 0.00 0.13 -0.21 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 -5.94 1.05 -0.41 1.61 2.56 -1.15 -4.95 118.70 111.45 3kc1 s GLU 192 Ca 0.05 -0.31 -0.24 0.00 0.00 0.00 0.00 54.97 54.47 3kc1 s GLU 192 Cb -0.02 -0.96 0.02 0.00 2.00 0.00 0.00 34.13 35.16 3kc1 s GLU 192 CO 0.80 0.09 0.86 -0.06 -0.56 0.00 0.00 175.26 176.39 3kc1 s PHE 193 N 0.30 3.02 -0.19 5.30 0.08 -1.26 -0.70 117.98 124.53 3kc1 s PHE 193 Ca -0.05 0.47 -0.13 0.00 0.12 0.00 0.00 56.93 57.34 3kc1 s PHE 193 Cb -0.10 -3.69 -0.05 0.00 -0.57 0.00 0.00 43.02 38.62 3kc1 s PHE 193 CO 0.01 -0.92 0.25 0.42 -0.10 0.00 0.00 175.22 174.88 3kc1 s ILE 194 N 3.43 5.32 -0.18 0.64 -1.09 0.15 -1.47 121.20 128.01 3kc1 s ILE 194 Ca 0.34 0.43 -0.29 0.00 -2.23 0.00 0.00 60.65 58.90 3kc1 s ILE 194 Cb -0.12 -3.59 -0.04 0.00 -1.58 0.00 0.00 42.46 37.14 3kc1 s ILE 194 CO 0.21 0.37 1.70 -0.22 -1.23 0.00 0.00 174.94 175.78 3kc1 s LEU 195 N 0.65 3.96 -0.00 2.97 2.96 -0.63 0.32 118.68 128.91 3kc1 s LEU 195 Ca 0.13 1.82 0.04 0.00 -0.22 0.00 0.00 54.13 55.90 3kc1 s LEU 195 Cb -0.13 -3.53 -0.05 0.00 0.50 0.00 0.00 46.19 42.98 3kc1 s LEU 195 CO 0.03 -1.26 0.12 1.33 -1.32 0.00 0.00 176.35 175.25 3kc1 n VAL 196 N 6.32 0.00 -3.59 1.68 0.24 -0.22 -4.74 118.33 118.02 3kc1 n VAL 196 Ca 0.20 -0.23 -0.21 0.00 -2.04 0.00 0.00 64.34 62.06 3kc1 n VAL 196 Cb 0.45 0.66 -0.15 0.00 -1.47 0.00 0.00 33.84 33.32 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 -1.98 1.55 0.01 -1.34 1.01 -1.10 -5.02 116.67 109.79 3kc1 s ASP 197 Ca -0.00 -0.20 -0.07 0.00 0.71 0.00 0.00 52.55 52.98 3kc1 s ASP 197 Cb 0.03 0.09 -0.05 0.00 1.01 0.00 0.00 42.92 44.00 3kc1 s ASP 197 CO 0.16 -0.31 0.28 -0.54 0.21 0.00 0.00 175.17 174.97 3kc1 s LYS 198 N 2.24 3.61 -1.08 8.23 1.02 -1.26 -1.11 119.74 131.38 3kc1 s LYS 198 Ca 0.04 -0.03 -0.30 0.00 0.02 0.00 0.00 55.97 55.70 3kc1 s LYS 198 Cb -0.15 -3.08 0.04 0.00 -0.52 0.00 0.00 37.83 34.12 3kc1 s LYS 198 CO -0.09 0.65 0.61 -3.47 -0.92 0.00 0.00 175.35 172.13 3kc1 n ASP 199 N 1.19 -3.77 -4.76 2.83 2.03 -0.85 -4.83 116.55 108.38 3kc1 n ASP 199 Ca -0.12 -1.17 -0.41 0.00 0.52 0.00 0.00 54.79 53.61 3kc1 n ASP 199 Cb 0.53 -1.44 -0.03 0.00 -0.72 0.00 0.00 41.12 39.46 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 -3.60 3.02 -0.02 5.18 1.01 0.70 -4.84 120.40 121.84 3kc1 s VAL 200 Ca 0.42 1.00 0.04 0.00 0.00 0.00 0.00 61.98 63.44 3kc1 s VAL 200 Cb -0.23 -3.64 -0.01 0.00 0.00 0.00 0.00 36.38 32.50 3kc1 s VAL 200 CO 0.88 0.23 -0.15 -0.54 0.00 0.00 0.00 175.10 175.53 3kc1 s LYS 201 N -1.49 1.35 0.44 2.72 -0.14 -1.26 -4.42 119.74 116.94 3kc1 s LYS 201 Ca 0.48 -0.52 -0.18 0.00 -1.36 0.00 0.00 55.97 54.39 3kc1 s LYS 201 Cb -0.37 -1.25 -0.09 0.00 -1.68 0.00 0.00 37.83 34.44 3kc1 s LYS 201 CO 0.47 0.26 0.92 -1.50 -0.76 0.00 0.00 175.35 174.75 3kc1 s ILE 202 N -0.14 4.51 0.47 2.17 2.07 -0.10 -5.01 121.20 125.16 3kc1 s ILE 202 Ca 0.01 1.26 -0.25 0.00 -1.41 0.00 0.00 60.65 60.26 3kc1 s ILE 202 Cb -0.08 -3.65 -0.08 0.00 0.13 0.00 0.00 42.46 38.78 3kc1 s ILE 202 CO 0.00 -0.44 1.42 -0.54 -1.91 0.00 0.00 174.94 173.47 3kc1 s LYS 203 N -3.50 3.60 0.33 3.50 1.02 -1.26 -4.89 119.74 118.55 3kc1 s LYS 203 Ca 0.59 2.39 0.03 0.00 0.02 0.00 0.00 55.97 59.01 3kc1 s LYS 203 Cb -0.10 -2.60 0.63 0.00 -0.52 0.00 0.00 37.83 35.25 3kc1 s LYS 203 CO 0.21 -0.88 1.94 -0.22 -0.92 0.00 0.00 175.35 175.49 3kc1 h LYS 204 N 2.19 0.86 -3.04 1.68 3.64 -1.95 -3.40 116.57 116.56 3kc1 h LYS 204 Ca -0.51 -0.05 -0.16 0.00 -1.27 0.00 0.00 60.65 58.66 3kc1 h LYS 204 Cb 1.27 -0.20 -0.26 0.00 -0.41 0.00 0.00 32.23 32.63 3kc1 h LYS 204 CO 0.60 0.57 -0.41 0.21 -2.27 0.00 0.00 179.45 178.15 3kc1 s LYS 205 N -5.78 0.30 0.06 1.90 2.20 -1.26 -1.75 119.74 115.41 3kc1 s LYS 205 Ca -0.11 0.43 0.00 0.00 -0.36 0.00 0.00 55.97 55.94 3kc1 s LYS 205 Cb 0.19 0.09 0.00 0.00 -1.51 0.00 0.00 37.83 36.60 3kc1 s LYS 205 CO 0.78 -0.07 0.04 0.41 -0.36 0.00 0.00 175.35 176.15 3kc1 n GLY 206 N 3.28 3.19 0.77 5.54 0.00 -1.26 -4.74 105.19 111.97 3kc1 n GLY 206 Ca -0.16 -2.19 0.04 0.00 0.00 0.00 0.00 46.02 43.71 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 -0.57 0.45 -4.04 1.61 5.02 -1.26 -4.73 118.16 114.64 3kc1 n LYS 207 Ca -0.01 -1.94 -0.16 0.00 -2.02 0.00 0.00 58.31 54.19 3kc1 n LYS 207 Cb 0.07 -0.67 -0.15 0.00 -0.02 0.00 0.00 35.03 34.26 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 -0.96 0.27 0.05 -0.18 -1.09 -1.26 -0.86 121.20 117.16 3kc1 s ILE 208 Ca 0.22 -0.09 0.09 0.00 -2.23 0.00 0.00 60.65 58.64 3kc1 s ILE 208 Cb 0.23 -0.28 -0.03 0.00 -1.58 0.00 0.00 42.46 40.80 3kc1 s ILE 208 CO -0.06 0.11 -0.24 -0.72 -1.23 0.00 0.00 174.94 172.80 3kc1 s TYR 209 N 0.29 2.39 -0.08 3.97 1.13 -0.78 -1.16 117.35 123.11 3kc1 s TYR 209 Ca -0.03 -0.37 -0.02 0.00 -1.41 0.00 0.00 57.07 55.24 3kc1 s TYR 209 Cb -0.06 -1.41 0.03 0.00 -1.10 0.00 0.00 41.96 39.43 3kc1 s TYR 209 CO -0.01 0.17 0.02 0.45 -2.51 0.00 0.00 175.55 173.67 3kc1 s SER 210 N -1.31 1.67 -0.09 -0.18 0.15 0.53 -2.86 113.70 111.62 3kc1 s SER 210 Ca 0.13 -0.16 -0.31 0.00 0.70 0.00 0.00 55.95 56.31 3kc1 s SER 210 Cb -0.10 -0.38 0.12 0.00 -1.71 0.00 0.00 66.02 63.94 3kc1 s SER 210 CO 0.03 -0.23 1.01 -1.48 1.20 0.00 0.00 173.24 173.78 3kc1 s LEU 211 N 2.01 -0.29 -0.76 3.45 2.34 -1.26 0.32 118.68 124.50 3kc1 s LEU 211 Ca 0.04 0.04 -0.27 0.00 0.06 0.00 0.00 54.13 54.01 3kc1 s LEU 211 Cb -0.13 1.78 0.03 0.00 -0.56 0.00 0.00 46.19 47.31 3kc1 s LEU 211 CO -0.05 -0.45 1.34 0.21 -1.06 0.00 0.00 176.35 176.34 3kc1 s ASN 212 N -2.21 6.12 0.00 1.48 3.84 -1.26 -4.84 114.94 118.07 3kc1 s ASN 212 Ca 0.06 -0.49 0.21 0.00 0.21 0.00 0.00 52.86 52.85 3kc1 s ASN 212 Cb -0.01 -2.56 1.20 0.00 -0.55 0.00 0.00 41.25 39.33 3kc1 s ASN 212 CO -0.06 -1.86 1.65 -0.62 -2.79 0.00 0.00 177.10 173.42 3kc1 n GLU 213 N 9.32 0.55 0.14 0.43 1.02 -1.26 -2.66 120.64 128.18 3kc1 n GLU 213 Ca 0.07 0.03 0.12 0.00 -0.02 0.00 0.00 57.16 57.36 3kc1 n GLU 213 Cb 0.49 -1.50 0.51 0.00 -0.02 0.00 0.00 31.44 30.92 3kc1 n GLU 213 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kc1 n GLY 214 N 0.37 -1.27 0.40 0.62 0.00 -1.26 -1.35 105.19 102.69 3kc1 n GLY 214 Ca 0.14 0.10 0.14 0.00 0.00 0.00 0.00 46.02 46.40 3kc1 n GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kc1 n TYR 215 N -2.29 0.01 -0.28 1.61 4.01 -1.09 -4.56 117.16 114.57 3kc1 n TYR 215 Ca 0.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 57.90 57.73 3kc1 n TYR 215 Cb 0.22 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.27 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 -0.03 -0.14 -0.27 -0.72 0.00 -0.46 0.10 120.51 118.99 3kc1 n ALA 216 Ca 0.20 0.71 0.18 0.00 0.00 0.00 0.00 53.44 54.53 3kc1 n ALA 216 Cb 0.31 -0.29 0.47 0.00 0.00 0.00 0.00 19.45 19.93 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 -0.50 0.00 3.64 -1.85 -0.89 116.57 117.44 3kc1 h LYS 217 Ca 0.24 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.59 3kc1 h LYS 217 Cb 0.42 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3kc1 h LYS 217 CO -0.72 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 176.53 3kc1 n ASP 218 N -4.57 3.56 -4.75 4.20 8.00 0.12 -5.00 116.55 118.11 3kc1 n ASP 218 Ca 0.20 -1.99 -0.35 0.00 0.71 0.00 0.00 54.79 53.36 3kc1 n ASP 218 Cb 0.68 -0.33 0.05 0.00 -0.02 0.00 0.00 41.12 41.49 3kc1 n ASP 218 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 3kc1 s PHE 219 N -1.34 2.35 0.56 1.24 0.08 -0.34 -3.56 117.98 116.97 3kc1 s PHE 219 Ca 0.42 1.54 -0.16 0.00 0.12 0.00 0.00 56.93 58.85 3kc1 s PHE 219 Cb 0.24 -3.43 -0.06 0.00 -0.57 0.00 0.00 43.02 39.20 3kc1 s PHE 219 CO 0.32 -2.21 1.03 0.16 -0.10 0.00 0.00 175.22 174.42 3kc1 s ASP 220 N -1.83 6.13 0.35 1.36 1.47 -1.26 -4.84 116.67 118.05 3kc1 s ASP 220 Ca 0.75 1.73 0.11 0.00 1.18 0.00 0.00 52.55 56.32 3kc1 s ASP 220 Cb -0.28 -2.53 0.88 0.00 -0.34 0.00 0.00 42.92 40.65 3kc1 s ASP 220 CO 0.37 -0.93 1.82 1.55 0.68 0.00 0.00 175.17 178.66 3kc1 h PRO 221 N 0.69 0.61 -0.64 2.11 0.13 -1.99 -1.71 132.00 131.19 3kc1 h PRO 221 Ca -0.47 -0.04 -0.09 0.00 -0.87 0.00 0.00 66.00 64.53 3kc1 h PRO 221 Cb 1.21 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3kc1 h PRO 221 CO 0.59 0.40 0.05 0.00 -0.23 0.00 0.00 178.00 178.82 3kc1 h ALA 222 N 1.62 0.87 -0.41 -0.56 0.00 -1.91 -1.50 119.26 117.36 3kc1 h ALA 222 Ca 0.52 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 55.02 3kc1 h ALA 222 Cb 0.98 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3kc1 h ALA 222 CO -0.27 0.67 -0.19 0.28 0.00 0.00 0.00 179.25 179.74 3kc1 h VAL 223 N 1.02 1.28 -0.31 0.00 2.07 -1.74 -1.29 116.25 117.28 3kc1 h VAL 223 Ca 0.19 -1.33 0.03 0.00 0.82 0.00 0.00 66.70 66.40 3kc1 h VAL 223 Cb 0.51 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3kc1 h VAL 223 CO 0.02 0.45 0.13 0.74 0.02 0.00 0.00 177.57 178.93 3kc1 h THR 224 N 0.67 0.95 -0.35 2.57 2.02 -1.15 -1.39 112.91 116.24 3kc1 h THR 224 Ca 0.09 -0.10 -0.07 0.00 0.77 0.00 0.00 66.41 67.11 3kc1 h THR 224 Cb 0.75 0.65 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3kc1 h THR 224 CO 0.06 0.05 -0.04 -0.08 0.37 0.00 0.00 175.52 175.88 3kc1 h GLU 225 N 0.28 0.64 -0.38 6.66 4.81 -1.19 -1.84 114.58 123.56 3kc1 h GLU 225 Ca 0.13 -0.23 0.03 0.00 -0.13 0.00 0.00 59.36 59.17 3kc1 h GLU 225 Cb 0.07 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.37 3kc1 h GLU 225 CO -0.11 0.78 0.17 -0.92 -0.73 0.00 0.00 179.01 178.20 3kc1 h TYR 226 N 0.44 0.31 -0.81 0.92 3.20 -1.03 -0.84 116.97 119.16 3kc1 h TYR 226 Ca 0.09 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 3kc1 h TYR 226 Cb 0.52 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.67 3kc1 h TYR 226 CO 0.04 0.16 0.36 0.82 -1.64 0.00 0.00 178.16 177.90 3kc1 h ILE 227 N 0.36 1.26 -0.64 1.81 1.08 -1.23 -1.67 117.51 118.48 3kc1 h ILE 227 Ca 0.16 -0.78 0.04 0.00 -0.39 0.00 0.00 64.86 63.89 3kc1 h ILE 227 Cb 0.09 0.26 -0.04 0.00 -3.07 0.00 0.00 36.82 34.06 3kc1 h ILE 227 CO -0.13 0.33 0.42 1.56 -0.69 0.00 0.00 178.15 179.64 3kc1 h GLN 228 N 1.17 0.71 0.00 2.37 1.08 -0.64 -0.29 115.11 119.53 3kc1 h GLN 228 Ca 0.28 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.36 3kc1 h GLN 228 Cb 0.17 -0.16 -0.01 0.00 -0.05 0.00 0.00 27.48 27.43 3kc1 h GLN 228 CO -0.03 0.47 -0.35 0.00 -0.95 0.00 0.00 178.83 177.98 3kc1 h ARG 229 N 0.74 0.00 0.00 1.46 3.08 -0.25 0.23 114.38 119.63 3kc1 h ARG 229 Ca 0.26 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 60.12 3kc1 h ARG 229 Cb 0.12 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.16 3kc1 h ARG 229 CO -0.07 0.35 -0.87 0.87 -1.07 0.00 0.00 179.97 179.17 3kc1 h LYS 230 N 0.00 0.18 0.06 0.04 6.56 -0.57 -2.81 116.57 120.04 3kc1 h LYS 230 Ca -0.00 -0.20 -0.32 0.00 -1.06 0.00 0.00 60.65 59.07 3kc1 h LYS 230 Cb 0.81 0.06 -0.03 0.00 -0.57 0.00 0.00 32.23 32.50 3kc1 h LYS 230 CO 0.05 0.94 -1.77 0.87 -2.06 0.00 0.00 179.45 177.48 3kc1 h LYS 231 N 0.10 0.13 -2.33 3.15 1.57 -1.15 -0.63 116.57 117.41 3kc1 h LYS 231 Ca -0.04 -0.22 -0.59 0.00 -1.87 0.00 0.00 60.65 57.93 3kc1 h LYS 231 Cb 1.50 0.08 -0.41 0.00 0.08 0.00 0.00 32.23 33.49 3kc1 h LYS 231 CO 0.13 0.85 -0.78 1.19 -0.57 0.00 0.00 179.45 180.27 3kc1 n PHE 232 N -3.26 1.88 -1.68 -1.35 3.72 0.78 -4.73 117.46 112.81 3kc1 n PHE 232 Ca -0.22 -3.91 -0.52 0.00 -0.05 0.00 0.00 57.45 52.75 3kc1 n PHE 232 Cb 1.05 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 39.12 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 1.46 1.62 0.28 -1.08 -0.02 -1.06 -4.52 135.00 131.68 3kc1 n PRO 233 Ca 0.26 0.59 0.13 0.00 -2.02 0.00 0.00 63.50 62.46 3kc1 n PRO 233 Cb 0.44 -2.33 0.82 0.00 -0.02 0.00 0.00 33.50 32.41 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 7.44 0.00 -0.44 0.52 0.11 -1.92 0.97 132.00 138.68 3kc1 h PRO 234 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kc1 h PRO 234 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 3kc1 h PRO 234 CO 0.93 0.04 0.00 -0.40 -0.21 0.00 0.00 178.00 178.35 3kc1 n ASP 235 N -3.91 2.26 -1.96 -2.05 5.75 -1.26 -4.91 116.55 110.47 3kc1 n ASP 235 Ca -0.03 -2.06 -0.16 0.00 -0.01 0.00 0.00 54.79 52.53 3kc1 n ASP 235 Cb 0.12 -0.30 -0.04 0.00 -1.03 0.00 0.00 41.12 39.87 3kc1 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kc1 n ASN 236 N 0.61 -4.58 -3.96 -1.12 3.02 0.33 -4.98 115.26 104.59 3kc1 n ASN 236 Ca 0.13 0.25 -0.30 0.00 -0.03 0.00 0.00 54.58 54.63 3kc1 n ASN 236 Cb 0.38 -3.99 0.21 0.00 -0.61 0.00 0.00 39.78 35.77 3kc1 n ASN 236 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3kc1 s SER 237 N -2.21 2.44 0.18 6.41 1.04 -1.26 -4.97 113.70 115.33 3kc1 s SER 237 Ca 0.00 0.28 -0.31 0.00 0.48 0.00 0.00 55.95 56.40 3kc1 s SER 237 Cb 0.00 -0.30 -0.09 0.00 0.10 0.00 0.00 66.02 65.73 3kc1 s SER 237 CO 0.00 -3.15 1.38 0.00 0.98 0.00 0.00 173.24 172.45 3kc1 s ALA 238 N -3.73 3.59 0.57 5.32 0.00 -1.26 -4.58 121.76 121.66 3kc1 s ALA 238 Ca 0.75 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 53.69 3kc1 s ALA 238 Cb -0.04 -3.53 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 3kc1 s ALA 238 CO 0.54 -0.63 1.23 -2.14 0.00 0.00 0.00 175.76 174.77 3kc1 s PRO 239 N 0.31 3.09 0.57 0.00 0.02 -1.26 -4.92 135.00 132.80 3kc1 s PRO 239 Ca 0.61 1.91 -0.17 0.00 0.02 0.00 0.00 61.00 63.36 3kc1 s PRO 239 Cb -0.38 -2.05 -0.05 0.00 0.02 0.00 0.00 34.50 32.04 3kc1 s PRO 239 CO 0.36 -1.13 1.07 0.71 -0.33 0.00 0.00 177.00 177.68 3kc1 s TYR 240 N -1.52 2.92 0.43 6.54 1.51 -0.24 -5.02 117.35 121.96 3kc1 s TYR 240 Ca 0.75 1.54 -0.07 0.00 -1.01 0.00 0.00 57.07 58.27 3kc1 s TYR 240 Cb -0.32 -3.07 -0.05 0.00 -0.11 0.00 0.00 41.96 38.41 3kc1 s TYR 240 CO 0.36 -1.15 0.75 0.20 -1.11 0.00 0.00 175.55 174.60 3kc1 s GLY 241 N -2.44 1.71 -0.01 0.71 0.00 -0.04 -4.83 107.32 102.41 3kc1 s GLY 241 Ca 0.66 -0.41 0.04 0.00 0.00 0.00 0.00 44.72 45.01 3kc1 s GLY 241 CO 0.32 -0.24 -0.11 0.00 0.00 0.00 0.00 173.10 173.06 3kc1 s ALA 242 N -2.51 2.83 -0.13 3.20 0.00 -1.26 -1.86 121.76 122.02 3kc1 s ALA 242 Ca 0.48 -1.02 -0.09 0.00 0.00 0.00 0.00 51.96 51.33 3kc1 s ALA 242 Cb -0.10 -1.02 0.04 0.00 0.00 0.00 0.00 23.12 22.04 3kc1 s ALA 242 CO 0.38 0.58 0.33 1.03 0.00 0.00 0.00 175.76 178.08 3kc1 s ARG 243 N -1.14 0.34 -0.33 0.00 1.81 -1.13 -4.98 118.95 113.51 3kc1 s ARG 243 Ca 0.14 0.59 0.04 0.00 -1.72 0.00 0.00 55.73 54.78 3kc1 s ARG 243 Cb -0.11 0.03 0.17 0.00 -0.45 0.00 0.00 34.95 34.59 3kc1 s ARG 243 CO 0.04 -0.12 0.48 -0.47 -0.68 0.00 0.00 175.30 174.55 3kc1 s TYR 244 N 0.89 -1.14 0.19 -0.53 5.04 -1.26 -4.17 117.35 116.38 3kc1 s TYR 244 Ca -0.06 0.16 -0.05 0.00 -2.44 0.00 0.00 57.07 54.69 3kc1 s TYR 244 Cb -0.07 -0.04 0.13 0.00 0.35 0.00 0.00 41.96 42.33 3kc1 s TYR 244 CO -0.06 -1.04 1.55 0.28 -1.34 0.00 0.00 175.55 174.94 3kc1 h VAL 245 N 5.64 1.29 0.00 3.14 2.07 -1.98 -3.47 116.25 122.94 3kc1 h VAL 245 Ca -0.01 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 65.94 3kc1 h VAL 245 Cb 1.13 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 32.39 3kc1 h VAL 245 CO 0.20 0.51 0.00 0.61 0.02 0.00 0.00 177.57 178.90 3kc1 n GLY 246 N 0.04 0.29 3.28 2.17 0.00 -1.26 -5.02 105.19 104.69 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 -2.10 4.06 0.21 1.61 0.01 -1.26 -4.91 113.70 111.33 3kc1 s SER 247 Ca 0.00 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.74 3kc1 s SER 247 Cb 0.00 -1.68 0.31 0.00 0.21 0.00 0.00 66.02 64.86 3kc1 s SER 247 CO 0.00 0.00 1.73 -0.03 0.41 0.00 0.00 173.24 175.35 3kc1 h MET 248 N 7.93 0.36 -0.89 12.44 4.05 -1.93 -0.99 114.93 135.89 3kc1 h MET 248 Ca -0.41 -0.02 0.02 0.00 -0.28 0.00 0.00 59.70 59.01 3kc1 h MET 248 Cb 1.16 -0.08 -0.05 0.00 -0.80 0.00 0.00 31.60 31.83 3kc1 h MET 248 CO 0.61 0.24 0.59 0.28 0.23 0.00 0.00 176.91 178.85 3kc1 h VAL 249 N 0.37 1.20 -0.12 -5.77 2.07 -1.95 0.17 116.25 112.22 3kc1 h VAL 249 Ca 0.32 -0.40 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 3kc1 h VAL 249 Cb 0.43 -0.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.12 3kc1 h VAL 249 CO -0.34 0.21 -0.10 0.00 0.02 0.00 0.00 177.57 177.36 3kc1 h ALA 250 N 1.35 0.18 -0.57 1.67 0.00 -1.70 -1.65 119.26 118.53 3kc1 h ALA 250 Ca 0.34 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3kc1 h ALA 250 Cb -0.08 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3kc1 h ALA 250 CO -0.09 0.02 0.08 -0.44 0.00 0.00 0.00 179.25 178.82 3kc1 h ASP 251 N -0.09 0.91 -0.53 0.00 3.32 -0.98 -2.17 116.42 116.88 3kc1 h ASP 251 Ca 0.02 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.71 3kc1 h ASP 251 Cb 0.61 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 3kc1 h ASP 251 CO 0.03 0.95 -0.03 0.58 -1.72 0.00 0.00 179.24 179.04 3kc1 h VAL 252 N 0.84 1.27 -0.70 -1.35 2.07 -0.70 -2.04 116.25 115.64 3kc1 h VAL 252 Ca 0.17 -1.15 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 3kc1 h VAL 252 Cb 0.43 0.94 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 3kc1 h VAL 252 CO 0.01 0.41 0.27 -0.74 0.02 0.00 0.00 177.57 177.54 3kc1 h HIS 253 N 0.83 1.08 -0.76 1.57 -0.00 -1.19 -0.35 115.15 116.34 3kc1 h HIS 253 Ca 0.15 -0.09 -0.02 0.00 -0.00 0.00 0.00 60.37 60.41 3kc1 h HIS 253 Cb 0.57 -0.32 -0.04 0.00 -0.00 0.00 0.00 27.41 27.63 3kc1 h HIS 253 CO 0.04 0.84 0.39 -0.09 -0.00 0.00 0.00 177.93 179.11 3kc1 h ARG 254 N 1.00 1.08 -0.76 5.26 2.43 -1.28 -0.13 114.38 121.98 3kc1 h ARG 254 Ca 0.23 -0.15 0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kc1 h ARG 254 Cb 0.23 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 29.53 3kc1 h ARG 254 CO -0.02 0.82 0.49 1.15 -1.51 0.00 0.00 179.97 180.91 3kc1 h THR 255 N 1.06 1.14 -0.25 0.20 2.02 -0.73 0.24 112.91 116.59 3kc1 h THR 255 Ca 0.26 -0.33 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 3kc1 h THR 255 Cb 0.08 0.08 -0.01 0.00 -1.74 0.00 0.00 68.15 66.57 3kc1 h THR 255 CO -0.04 0.18 0.05 0.25 0.37 0.00 0.00 175.52 176.33 3kc1 h LEU 256 N 0.97 0.40 -0.09 2.58 5.85 -0.43 0.51 115.31 125.10 3kc1 h LEU 256 Ca 0.30 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 3kc1 h LEU 256 Cb -0.03 -0.11 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 3kc1 h LEU 256 CO -0.09 0.55 -0.10 0.58 -0.34 0.00 0.00 178.44 179.03 3kc1 h VAL 257 N 0.23 1.37 0.00 1.05 2.07 -0.70 -3.36 116.25 116.91 3kc1 h VAL 257 Ca 0.08 -1.29 0.00 0.00 0.82 0.00 0.00 66.70 66.30 3kc1 h VAL 257 Cb 0.32 2.03 0.00 0.00 -1.52 0.00 0.00 31.29 32.12 3kc1 h VAL 257 CO 0.00 0.36 -1.12 -1.22 0.02 0.00 0.00 177.57 175.62 3kc1 n TYR 258 N -4.65 0.00 0.00 1.57 4.02 0.82 -4.91 117.16 114.01 3kc1 n TYR 258 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 3kc1 n TYR 258 Cb 0.33 -0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.57 3kc1 n TYR 258 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc1 n GLY 259 N 1.45 -1.18 0.00 2.72 0.00 0.18 -4.67 105.19 103.69 3kc1 n GLY 259 Ca 0.02 -1.61 0.00 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.27 0.30 2.98 -0.02 0.00 -1.26 -4.53 105.19 101.39 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 0.04 -0.06 -0.61 2.07 -0.31 -0.83 121.20 121.50 3kc1 s ILE 261 Ca 0.00 -0.35 0.05 0.00 -1.41 0.00 0.00 60.65 58.94 3kc1 s ILE 261 Cb 0.00 -0.20 -0.01 0.00 0.13 0.00 0.00 42.46 42.39 3kc1 s ILE 261 CO 0.00 -0.19 -0.22 0.12 -1.91 0.00 0.00 174.94 172.74 3kc1 s PHE 262 N -0.59 2.21 -0.02 3.50 5.36 -0.15 -0.34 117.98 127.95 3kc1 s PHE 262 Ca -0.07 -0.71 0.02 0.00 -0.96 0.00 0.00 56.93 55.21 3kc1 s PHE 262 Cb -0.04 -1.47 0.00 0.00 -0.34 0.00 0.00 43.02 41.17 3kc1 s PHE 262 CO 0.00 -0.24 -0.06 -0.51 -1.46 0.00 0.00 175.22 172.95 3kc1 s LEU 263 N 0.03 1.78 -0.42 6.12 1.02 0.15 -1.51 118.68 125.85 3kc1 s LEU 263 Ca -0.07 -0.12 0.07 0.00 0.02 0.00 0.00 54.13 54.03 3kc1 s LEU 263 Cb -0.14 -0.38 0.23 0.00 0.02 0.00 0.00 46.19 45.92 3kc1 s LEU 263 CO 0.04 0.04 0.57 0.00 0.02 0.00 0.00 176.35 177.02 3kc1 n TYR 264 N 3.29 -1.27 -1.56 0.29 4.19 -0.41 -4.32 117.16 117.37 3kc1 n TYR 264 Ca -0.17 -3.03 -0.29 0.00 3.31 0.00 0.00 57.90 57.72 3kc1 n TYR 264 Cb 0.55 0.25 0.12 0.00 0.49 0.00 0.00 39.34 40.75 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 -0.47 1.52 0.86 2.98 0.04 -1.26 -2.25 135.00 136.43 3kc1 s PRO 265 Ca 0.34 0.40 -0.10 0.00 0.04 0.00 0.00 61.00 61.68 3kc1 s PRO 265 Cb 0.15 -1.87 0.11 0.00 0.04 0.00 0.00 34.50 32.93 3kc1 s PRO 265 CO -0.15 -1.96 1.12 0.00 0.04 0.00 0.00 177.00 176.05 3kc1 s ALA 266 N -3.25 1.74 0.44 8.56 0.00 -1.26 -4.49 121.76 123.50 3kc1 s ALA 266 Ca 0.63 0.43 0.04 0.00 0.00 0.00 0.00 51.96 53.05 3kc1 s ALA 266 Cb -0.14 -3.37 -0.04 0.00 0.00 0.00 0.00 23.12 19.56 3kc1 s ALA 266 CO 0.53 -2.39 0.03 -0.80 0.00 0.00 0.00 175.76 173.13 3kc1 s ASN 267 N -2.97 3.66 0.28 0.00 0.02 -0.71 -4.67 114.94 110.55 3kc1 s ASN 267 Ca 0.64 -1.52 0.05 0.00 -1.02 0.00 0.00 52.86 51.01 3kc1 s ASN 267 Cb -0.20 0.11 0.40 0.00 0.02 0.00 0.00 41.25 41.58 3kc1 s ASN 267 CO 0.57 -0.69 1.68 0.50 0.02 0.00 0.00 177.10 179.18 3kc1 h LYS 268 N 1.65 0.32 0.01 -0.60 3.64 -1.95 -2.58 116.57 117.06 3kc1 h LYS 268 Ca -0.43 -0.15 -0.20 0.00 -1.27 0.00 0.00 60.65 58.60 3kc1 h LYS 268 Cb 1.27 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 33.07 3kc1 h LYS 268 CO 0.74 0.68 -0.95 0.87 -2.27 0.00 0.00 179.45 178.51 3kc1 h LYS 269 N 0.27 0.02 -2.24 1.90 6.56 -1.95 -3.37 116.57 117.75 3kc1 h LYS 269 Ca 0.03 -0.03 -0.60 0.00 -1.06 0.00 0.00 60.65 58.99 3kc1 h LYS 269 Cb 0.83 0.01 -0.42 0.00 -0.57 0.00 0.00 32.23 32.08 3kc1 h LYS 269 CO 0.07 0.96 -0.67 0.43 -2.06 0.00 0.00 179.45 178.18 3kc1 n SER 270 N -3.43 3.14 -0.19 0.86 7.64 -1.06 -4.96 113.62 115.62 3kc1 n SER 270 Ca -0.01 -3.31 0.30 0.00 1.01 0.00 0.00 58.87 56.87 3kc1 n SER 270 Cb 0.90 -0.67 0.65 0.00 -1.01 0.00 0.00 64.21 64.08 3kc1 n SER 270 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kc1 h PRO 271 N 4.27 0.00 -0.47 1.43 0.11 -1.65 0.22 132.00 135.91 3kc1 h PRO 271 Ca 0.18 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 66.07 3kc1 h PRO 271 Cb 0.70 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 31.68 3kc1 h PRO 271 CO 0.77 0.00 0.08 0.09 -0.21 0.00 0.00 178.00 178.72 3kc1 n ASN 272 N -3.69 2.96 -0.08 -2.05 5.03 -1.26 -4.79 115.26 111.38 3kc1 n ASN 272 Ca 0.21 -3.64 0.01 0.00 0.87 0.00 0.00 54.58 52.03 3kc1 n ASN 272 Cb 1.22 -0.67 -0.00 0.00 -1.02 0.00 0.00 39.78 39.31 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 -1.02 -2.25 0.06 7.41 0.00 0.71 -1.78 105.19 108.33 3kc1 n GLY 273 Ca 0.37 -1.52 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 -1.18 0.21 -2.00 1.61 3.00 -1.26 -4.63 118.16 113.91 3kc1 n LYS 274 Ca 0.00 0.05 -0.33 0.00 -0.00 0.00 0.00 58.31 58.03 3kc1 n LYS 274 Cb 0.04 -1.16 0.02 0.00 0.00 0.00 0.00 35.03 33.93 3kc1 n LYS 274 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3kc1 s LEU 275 N -5.52 3.53 0.02 3.14 1.43 -1.26 -4.82 118.68 115.20 3kc1 s LEU 275 Ca -0.11 1.99 -0.21 0.00 -1.03 0.00 0.00 54.13 54.76 3kc1 s LEU 275 Cb 0.03 -4.55 -0.06 0.00 0.03 0.00 0.00 46.19 41.64 3kc1 s LEU 275 CO 0.19 -1.35 0.62 -0.13 0.23 0.00 0.00 176.35 175.91 3kc1 s ARG 276 N -3.85 4.33 0.06 1.70 3.00 -1.26 -0.93 118.95 122.01 3kc1 s ARG 276 Ca 0.67 0.79 -0.30 0.00 0.00 0.00 0.00 55.73 56.90 3kc1 s ARG 276 Cb -0.20 -3.33 -0.18 0.00 0.00 0.00 0.00 34.95 31.25 3kc1 s ARG 276 CO 0.35 0.40 1.53 1.25 0.00 0.00 0.00 175.30 178.83 3kc1 h LEU 277 N 5.45 -0.61 -0.36 2.53 5.85 -1.54 -0.18 115.31 126.44 3kc1 h LEU 277 Ca -0.46 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3kc1 h LEU 277 Cb 1.20 0.16 -0.04 0.00 0.37 0.00 0.00 40.66 42.35 3kc1 h LEU 277 CO 0.69 -0.38 0.12 -0.07 -0.34 0.00 0.00 178.44 178.46 3kc1 h LEU 278 N -0.81 0.11 -2.99 2.25 4.07 -1.79 -0.40 115.31 115.75 3kc1 h LEU 278 Ca -0.07 0.04 0.00 0.00 0.08 0.00 0.00 57.88 57.93 3kc1 h LEU 278 Cb 0.59 0.04 0.00 0.00 1.08 0.00 0.00 40.66 42.37 3kc1 h LEU 278 CO 0.12 0.10 0.00 0.00 -1.08 0.00 0.00 178.44 177.58 3kc1 n TYR 279 N -5.03 0.07 0.08 1.13 0.18 -1.26 -4.51 117.16 107.83 3kc1 n TYR 279 Ca 0.01 -0.55 0.00 0.00 1.88 0.00 0.00 57.90 59.24 3kc1 n TYR 279 Cb 0.14 -0.06 0.00 0.00 -0.38 0.00 0.00 39.34 39.03 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 -0.47 0.00 0.14 -3.48 1.02 -0.89 -4.29 120.64 112.67 3kc1 n GLU 280 Ca 0.03 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 57.06 3kc1 n GLU 280 Cb 0.32 -0.30 -0.07 0.00 -0.02 0.00 0.00 31.44 31.37 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 -0.91 -0.25 -0.48 0.00 -0.26 -1.31 0.20 115.58 112.57 3kc1 h ASN 282 Ca -0.04 0.08 0.04 0.00 -0.56 0.00 0.00 56.30 55.82 3kc1 h ASN 282 Cb 0.52 0.16 -0.04 0.00 -1.06 0.00 0.00 38.32 37.89 3kc1 h ASN 282 CO 0.07 -0.09 0.23 -0.65 -1.06 0.00 0.00 177.43 175.93 3kc1 h PRO 283 N -0.01 0.45 -0.27 0.81 0.11 -1.79 0.12 132.00 131.41 3kc1 h PRO 283 Ca 0.12 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.08 3kc1 h PRO 283 Cb 0.19 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 31.19 3kc1 h PRO 283 CO -0.26 0.30 -0.34 0.52 -0.21 0.00 0.00 178.00 178.01 3kc1 h MET 284 N 0.46 0.59 -0.60 1.05 2.86 -1.44 -1.60 114.93 116.24 3kc1 h MET 284 Ca 0.21 -0.27 -0.06 0.00 -2.06 0.00 0.00 59.70 57.51 3kc1 h MET 284 Cb 0.13 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 3kc1 h MET 284 CO -0.16 0.85 0.12 0.00 1.06 0.00 0.00 176.91 178.79 3kc1 h ALA 285 N 1.13 1.07 -0.37 6.32 0.00 -0.06 -0.35 119.26 127.00 3kc1 h ALA 285 Ca 0.05 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 3kc1 h ALA 285 Cb 0.83 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 3kc1 h ALA 285 CO 0.07 0.61 0.02 -0.92 0.00 0.00 0.00 179.25 179.03 3kc1 h TYR 286 N 0.91 0.69 -0.37 0.00 3.20 -0.42 -1.08 116.97 119.90 3kc1 h TYR 286 Ca 0.19 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3kc1 h TYR 286 Cb 0.36 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.44 3kc1 h TYR 286 CO 0.02 0.71 0.18 0.28 -1.64 0.00 0.00 178.16 177.72 3kc1 h VAL 287 N 0.46 1.17 -0.22 1.81 2.07 -1.06 -1.82 116.25 118.67 3kc1 h VAL 287 Ca 0.11 -0.48 0.02 0.00 0.82 0.00 0.00 66.70 67.17 3kc1 h VAL 287 Cb 0.43 0.80 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 3kc1 h VAL 287 CO 0.01 0.18 0.09 0.24 0.02 0.00 0.00 177.57 178.12 3kc1 h MET 288 N 0.46 0.20 -0.49 1.57 2.86 -0.89 -1.70 114.93 116.95 3kc1 h MET 288 Ca 0.13 -0.01 -0.09 0.00 -2.06 0.00 0.00 59.70 57.67 3kc1 h MET 288 Cb 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.71 3kc1 h MET 288 CO -0.02 0.13 -0.05 0.93 1.06 0.00 0.00 176.91 178.97 3kc1 h GLU 289 N 0.21 0.85 0.00 1.72 5.08 -1.09 1.02 114.58 122.37 3kc1 h GLU 289 Ca 0.09 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.18 3kc1 h GLU 289 Cb 0.04 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.20 3kc1 h GLU 289 CO -0.07 0.88 -0.07 0.87 -1.00 0.00 0.00 179.01 179.62 3kc1 h LYS 290 N 0.78 0.00 -0.35 2.33 1.79 -1.12 -1.35 116.57 118.64 3kc1 h LYS 290 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 3kc1 h LYS 290 Cb 0.54 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.19 3kc1 h LYS 290 CO 0.03 0.07 0.00 0.00 -1.08 0.00 0.00 179.45 178.47 3kc1 n ALA 291 N -2.14 2.46 -1.11 3.86 0.00 -0.66 -4.51 120.51 118.41 3kc1 n ALA 291 Ca -0.00 -0.72 0.00 0.00 0.00 0.00 0.00 53.44 52.72 3kc1 n ALA 291 Cb 0.30 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.76 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 1.22 0.39 0.00 0.00 0.00 -0.51 -0.92 105.19 105.36 3kc1 n GLY 292 Ca 0.16 -1.06 0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 -2.75 2.56 3.20 -0.02 0.00 0.35 -4.50 105.19 104.02 3kc1 n GLY 293 Ca 0.00 -2.14 -0.12 0.00 0.00 0.00 0.00 46.02 43.76 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 -1.65 0.91 -0.26 1.61 1.00 -0.59 -3.91 119.30 116.42 3kc1 s MET 294 Ca 0.00 -1.37 -0.03 0.00 0.00 0.00 0.00 55.69 54.28 3kc1 s MET 294 Cb 0.00 -0.35 0.15 0.00 0.00 0.00 0.00 34.83 34.62 3kc1 s MET 294 CO 0.00 0.02 0.47 0.00 0.00 0.00 0.00 175.02 175.50 3kc1 s ALA 295 N -3.51 -1.53 0.18 3.03 0.00 -1.26 -1.15 121.76 117.52 3kc1 s ALA 295 Ca 0.13 1.37 0.07 0.00 0.00 0.00 0.00 51.96 53.53 3kc1 s ALA 295 Cb 0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3kc1 s ALA 295 CO -0.03 -1.20 -0.14 -0.08 0.00 0.00 0.00 175.76 174.31 3kc1 s THR 296 N 2.68 1.59 -1.19 0.00 -1.32 0.27 -1.88 115.64 115.78 3kc1 s THR 296 Ca 0.12 -2.06 0.24 0.00 -1.21 0.00 0.00 61.69 58.79 3kc1 s THR 296 Cb -0.15 -1.89 0.00 0.00 -1.51 0.00 0.00 72.50 68.95 3kc1 s THR 296 CO -0.17 -0.55 1.31 0.35 -2.21 0.00 0.00 174.62 173.35 3kc1 n THR 297 N -0.09 0.00 0.00 5.08 -2.24 -0.10 -0.76 114.28 116.17 3kc1 n THR 297 Ca -0.10 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 3kc1 n THR 297 Cb 0.59 0.49 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 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 0.07 -0.62 -0.16 0.00 0.00 0.00 0.00 46.02 45.30 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 -3.94 1.61 4.81 -1.26 -4.96 118.16 115.10 3kc1 n LYS 299 Ca 0.00 0.15 -0.09 0.00 -0.87 0.00 0.00 58.31 57.50 3kc1 n LYS 299 Cb 0.00 -1.58 -0.03 0.00 0.02 0.00 0.00 35.03 33.43 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 1.72 0.25 1.64 -1.05 -1.26 -5.13 118.70 112.34 3kc1 s GLU 300 Ca -0.25 -1.22 -0.30 0.00 -0.15 0.00 0.00 54.97 53.05 3kc1 s GLU 300 Cb 0.08 0.53 -0.10 0.00 -0.44 0.00 0.00 34.13 34.20 3kc1 s GLU 300 CO 0.70 -0.75 1.39 0.00 0.95 0.00 0.00 175.26 177.55 3kc1 s ALA 301 N -3.74 3.58 0.26 -0.84 0.00 -1.26 -0.92 121.76 118.83 3kc1 s ALA 301 Ca 0.19 1.26 -0.02 0.00 0.00 0.00 0.00 51.96 53.39 3kc1 s ALA 301 Cb -0.03 -3.53 0.53 0.00 0.00 0.00 0.00 23.12 20.10 3kc1 s ALA 301 CO 0.09 -0.67 1.74 0.28 0.00 0.00 0.00 175.76 177.20 3kc1 h VAL 302 N 3.51 0.65 0.00 0.00 2.07 -1.68 -0.76 116.25 120.05 3kc1 h VAL 302 Ca -0.46 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 66.89 3kc1 h VAL 302 Cb 1.22 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 31.09 3kc1 h VAL 302 CO 0.76 0.09 0.00 -0.07 0.02 0.00 0.00 177.57 178.37 3kc1 h LEU 303 N 0.50 0.00 -0.49 2.57 4.07 -1.90 -2.43 115.31 117.62 3kc1 h LEU 303 Ca 0.46 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.42 3kc1 h LEU 303 Cb 0.71 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.45 3kc1 h LEU 303 CO -0.41 0.00 -0.47 0.47 -1.08 0.00 0.00 178.44 176.95 3kc1 n ASP 304 N -2.86 1.23 -4.71 -0.43 8.00 -0.29 -0.83 116.55 116.66 3kc1 n ASP 304 Ca -0.02 -0.99 -0.42 0.00 0.71 0.00 0.00 54.79 54.08 3kc1 n ASP 304 Cb 0.11 0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.56 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 3.17 -0.48 2.53 1.01 -0.92 -4.95 120.40 118.11 3kc1 s VAL 305 Ca 0.18 0.78 -0.18 0.00 0.00 0.00 0.00 61.98 62.76 3kc1 s VAL 305 Cb 0.18 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 33.11 3kc1 s VAL 305 CO 0.61 0.04 0.57 -0.63 0.00 0.00 0.00 175.10 175.70 3kc1 s ILE 306 N 1.51 4.95 0.51 2.22 1.01 -1.26 -4.35 121.20 125.79 3kc1 s ILE 306 Ca 0.67 -0.51 -0.22 0.00 0.00 0.00 0.00 60.65 60.59 3kc1 s ILE 306 Cb -0.38 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 37.80 3kc1 s ILE 306 CO 0.30 -0.70 1.25 -2.84 0.00 0.00 0.00 174.94 172.94 3kc1 s PRO 307 N 2.43 3.41 0.00 2.79 0.02 -1.26 -4.95 135.00 137.43 3kc1 s PRO 307 Ca 0.14 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.12 3kc1 s PRO 307 Cb -0.19 -2.28 0.00 0.00 0.02 0.00 0.00 34.50 32.05 3kc1 s PRO 307 CO 0.12 -0.89 0.00 0.25 -0.33 0.00 0.00 177.00 176.15 3kc1 n THR 308 N -0.85 0.00 -3.73 0.99 -2.24 -1.26 -4.80 114.28 102.38 3kc1 n THR 308 Ca 0.09 -0.29 -0.14 0.00 -2.27 0.00 0.00 64.05 61.44 3kc1 n THR 308 Cb 0.47 0.82 -0.15 0.00 -2.10 0.00 0.00 70.33 69.38 3kc1 n THR 308 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kc1 s ASP 309 N -1.08 0.04 0.56 3.42 1.01 -1.26 -5.05 116.67 114.31 3kc1 s ASP 309 Ca 0.00 0.32 0.27 0.00 0.71 0.00 0.00 52.55 53.85 3kc1 s ASP 309 Cb 0.00 0.22 1.51 0.00 1.01 0.00 0.00 42.92 45.66 3kc1 s ASP 309 CO 0.00 -0.17 2.03 0.16 0.21 0.00 0.00 175.17 177.40 3kc1 h ILE 310 N 6.12 0.57 -0.38 0.77 3.07 -1.94 -1.65 117.51 124.07 3kc1 h ILE 310 Ca -0.37 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.04 3kc1 h ILE 310 Cb 1.14 0.77 0.00 0.00 -0.27 0.00 0.00 36.82 38.45 3kc1 h ILE 310 CO 0.37 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.88 3kc1 n HIS 311 N -4.02 0.85 -1.90 0.16 8.25 -1.26 -4.47 115.22 112.83 3kc1 n HIS 311 Ca 0.06 -0.66 -0.36 0.00 -0.26 0.00 0.00 57.72 56.49 3kc1 n HIS 311 Cb 0.48 -0.18 0.05 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.85 2.82 0.51 -0.41 -2.07 -0.62 -4.83 119.66 113.21 3kc1 s GLN 312 Ca 0.36 1.94 -0.04 0.00 -1.82 0.00 0.00 55.36 55.80 3kc1 s GLN 312 Cb 0.24 -1.91 -0.01 0.00 -1.09 0.00 0.00 33.01 30.25 3kc1 s GLN 312 CO 0.15 -1.36 0.79 1.03 -1.32 0.00 0.00 175.29 174.58 3kc1 s ARG 313 N -3.33 3.11 -0.23 9.60 3.00 -1.26 -1.53 118.95 128.32 3kc1 s ARG 313 Ca 0.79 -0.13 -0.19 0.00 0.00 0.00 0.00 55.73 56.20 3kc1 s ARG 313 Cb -0.34 -2.40 0.06 0.00 0.00 0.00 0.00 34.95 32.28 3kc1 s ARG 313 CO 0.36 -0.43 0.60 0.00 0.00 0.00 0.00 175.30 175.82 3kc1 s ALA 314 N -2.78 -1.49 0.57 2.13 0.00 -0.10 -4.65 121.76 115.43 3kc1 s ALA 314 Ca 0.50 1.76 -0.16 0.00 0.00 0.00 0.00 51.96 54.06 3kc1 s ALA 314 Cb -0.10 -1.03 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 3kc1 s ALA 314 CO 0.42 -0.29 1.03 -2.14 0.00 0.00 0.00 175.76 174.79 3kc1 s PRO 315 N 0.54 3.52 -0.16 0.00 0.02 -1.24 -4.16 135.00 133.52 3kc1 s PRO 315 Ca -0.02 1.12 -0.12 0.00 0.02 0.00 0.00 61.00 62.00 3kc1 s PRO 315 Cb -0.05 -2.07 0.05 0.00 0.02 0.00 0.00 34.50 32.46 3kc1 s PRO 315 CO -0.02 -0.64 0.42 0.54 -0.33 0.00 0.00 177.00 176.97 3kc1 s VAL 316 N -2.52 -0.01 -0.11 3.83 0.11 -0.95 -4.28 120.40 116.46 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 -0.60 0.04 0.00 -1.53 0.00 0.00 36.38 34.15 3kc1 s VAL 316 CO 0.35 0.02 0.00 -0.63 -3.33 0.00 0.00 175.10 171.52 3kc1 s ILE 317 N 0.81 0.49 0.20 7.04 1.09 0.06 -1.29 121.20 129.60 3kc1 s ILE 317 Ca -0.05 -0.13 -0.01 0.00 -1.10 0.00 0.00 60.65 59.36 3kc1 s ILE 317 Cb -0.06 -0.74 -0.04 0.00 -1.06 0.00 0.00 42.46 40.56 3kc1 s ILE 317 CO -0.06 0.13 0.12 -1.48 -0.10 0.00 0.00 174.94 173.55 3kc1 s LEU 318 N 1.91 1.21 0.00 2.97 0.05 -0.57 -0.56 118.68 123.68 3kc1 s LEU 318 Ca 0.03 -1.38 0.00 0.00 0.05 0.00 0.00 54.13 52.83 3kc1 s LEU 318 Cb -0.14 0.36 0.00 0.00 -2.05 0.00 0.00 46.19 44.36 3kc1 s LEU 318 CO -0.06 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.52 3kc1 n GLY 319 N -0.27 0.64 3.66 -3.48 0.00 -0.30 -0.98 105.19 104.46 3kc1 n GLY 319 Ca 0.01 -1.88 -0.45 0.00 0.00 0.00 0.00 46.02 43.71 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 2.50 -0.16 1.61 7.64 -0.01 -1.53 113.62 123.66 3kc1 n SER 320 Ca 0.00 1.15 -0.02 0.00 1.01 0.00 0.00 58.87 61.01 3kc1 n SER 320 Cb 0.00 -1.40 0.06 0.00 -1.01 0.00 0.00 64.21 61.86 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 3.82 0.14 -0.42 1.43 0.13 -1.75 -1.15 132.00 134.19 3kc1 h PRO 321 Ca -0.45 -0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 3kc1 h PRO 321 Cb 1.29 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.37 3kc1 h PRO 321 CO 0.73 0.09 0.21 -0.44 -0.23 0.00 0.00 178.00 178.36 3kc1 h ASP 322 N 0.14 0.51 -0.08 1.44 5.19 -1.68 0.47 116.42 122.40 3kc1 h ASP 322 Ca 0.25 -0.04 -0.12 0.00 -0.62 0.00 0.00 57.03 56.51 3kc1 h ASP 322 Cb 0.38 -0.13 0.01 0.00 0.18 0.00 0.00 39.33 39.76 3kc1 h ASP 322 CO -0.40 0.43 -0.40 0.44 -3.12 0.00 0.00 179.24 176.19 3kc1 h ASP 323 N 0.58 0.50 -0.57 6.45 3.45 -1.53 -2.14 116.42 123.16 3kc1 h ASP 323 Ca 0.15 -0.65 -0.06 0.00 0.43 0.00 0.00 57.03 56.90 3kc1 h ASP 323 Cb 0.05 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.65 3kc1 h ASP 323 CO -0.02 1.06 0.12 0.58 -1.57 0.00 0.00 179.24 179.41 3kc1 h VAL 324 N -0.03 1.25 -0.78 -1.35 2.07 -0.99 -1.62 116.25 114.81 3kc1 h VAL 324 Ca -0.03 -0.93 0.04 0.00 0.82 0.00 0.00 66.70 66.60 3kc1 h VAL 324 Cb 1.05 0.77 -0.05 0.00 -1.52 0.00 0.00 31.29 31.54 3kc1 h VAL 324 CO 0.08 0.34 0.49 -0.07 0.02 0.00 0.00 177.57 178.43 3kc1 h LEU 325 N 0.82 0.79 -0.50 2.57 -0.00 -0.95 0.30 115.31 118.35 3kc1 h LEU 325 Ca 0.17 0.00 -0.01 0.00 -0.00 0.00 0.00 57.88 58.05 3kc1 h LEU 325 Cb 0.38 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 3kc1 h LEU 325 CO 0.01 0.54 0.28 -0.08 -0.00 0.00 0.00 178.44 179.19 3kc1 h GLU 326 N 0.94 0.69 -0.40 1.13 4.81 -0.99 -0.92 114.58 119.83 3kc1 h GLU 326 Ca 0.32 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 3kc1 h GLU 326 Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.27 3kc1 h GLU 326 CO -0.13 0.53 0.26 0.35 -0.73 0.00 0.00 179.01 179.29 3kc1 h PHE 327 N 0.66 0.52 -0.47 0.92 3.57 -0.47 -2.10 116.94 119.57 3kc1 h PHE 327 Ca 0.18 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.72 3kc1 h PHE 327 Cb 0.03 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.57 3kc1 h PHE 327 CO -0.02 0.34 0.31 -0.07 -2.23 0.00 0.00 178.31 176.64 3kc1 h LEU 328 N 0.54 0.44 -0.25 0.59 3.38 -0.53 0.15 115.31 119.63 3kc1 h LEU 328 Ca 0.15 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.11 3kc1 h LEU 328 Cb -0.04 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3kc1 h LEU 328 CO -0.03 0.30 0.13 0.11 0.09 0.00 0.00 178.44 179.05 3kc1 h LYS 329 N 0.51 0.35 -0.50 1.13 1.79 -0.51 0.47 116.57 119.81 3kc1 h LYS 329 Ca 0.19 -0.04 -0.04 0.00 -2.18 0.00 0.00 60.65 58.58 3kc1 h LYS 329 Cb 0.12 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 30.68 3kc1 h LYS 329 CO -0.05 0.32 0.16 0.28 -1.08 0.00 0.00 179.45 179.08 3kc1 h VAL 330 N 0.29 1.23 -0.42 0.50 2.07 -0.89 -1.95 116.25 117.07 3kc1 h VAL 330 Ca 0.09 -0.74 0.04 0.00 0.82 0.00 0.00 66.70 66.91 3kc1 h VAL 330 Cb 0.07 0.78 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3kc1 h VAL 330 CO -0.01 0.27 0.18 0.22 0.02 0.00 0.00 177.57 178.25 3kc1 h TYR 331 N 0.67 0.33 -0.55 1.57 3.20 -0.41 -1.77 116.97 120.00 3kc1 h TYR 331 Ca 0.16 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 62.02 3kc1 h TYR 331 Cb 0.26 -0.08 -0.03 0.00 1.54 0.00 0.00 36.73 38.42 3kc1 h TYR 331 CO 0.01 0.15 0.22 0.93 -1.64 0.00 0.00 178.16 177.82 3kc1 h GLU 332 N 0.37 0.80 -0.06 1.82 5.08 -0.71 -2.01 114.58 119.86 3kc1 h GLU 332 Ca 0.19 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 3kc1 h GLU 332 Cb 0.14 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 3kc1 h GLU 332 CO -0.17 0.66 0.02 -0.22 -1.00 0.00 0.00 179.01 178.30 3kc1 h LYS 333 N 0.79 0.09 -0.70 2.33 3.64 -0.53 -1.23 116.57 120.95 3kc1 h LYS 333 Ca 0.19 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 3kc1 h LYS 333 Cb 0.16 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 3kc1 h LYS 333 CO -0.02 0.08 0.00 0.72 -2.27 0.00 0.00 179.45 177.96 3kc1 n HIS 334 N -4.50 0.93 0.17 1.91 8.25 -0.79 -5.11 115.22 116.07 3kc1 n HIS 334 Ca -0.02 -0.46 0.02 0.00 -0.26 0.00 0.00 57.72 57.00 3kc1 n HIS 334 Cb 0.11 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.23 3kc1 n HIS 334 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85