#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kc0 n VAL 10 N 0.00 3.83 -3.84 2.53 3.14 -1.26 -5.02 118.33 117.71 3kc0 n VAL 10 Ca 0.00 -0.50 -0.12 0.00 -2.96 0.00 0.00 64.34 60.76 3kc0 n VAL 10 Cb 0.00 -1.24 -0.13 0.00 -1.06 0.00 0.00 33.84 31.42 3kc0 n VAL 10 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3kc0 s ASN 11 N -1.22 -0.09 0.35 6.55 2.47 -1.26 -5.08 114.94 116.66 3kc0 s ASN 11 Ca 0.76 0.16 0.09 0.00 0.42 0.00 0.00 52.86 54.28 3kc0 s ASN 11 Cb -0.42 0.20 -0.05 0.00 -1.45 0.00 0.00 41.25 39.53 3kc0 s ASN 11 CO 0.47 -0.06 0.02 0.42 -3.72 0.00 0.00 177.10 174.23 3kc0 s THR 12 N -0.07 2.58 0.21 -5.21 -4.23 -1.26 -0.89 115.64 106.77 3kc0 s THR 12 Ca -0.01 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.44 3kc0 s THR 12 Cb -0.01 -2.81 0.14 0.00 1.34 0.00 0.00 72.50 71.16 3kc0 s THR 12 CO 0.00 -0.18 1.85 0.25 -0.54 0.00 0.00 174.62 176.00 3kc0 h LEU 13 N 1.79 0.72 -0.28 4.79 5.85 -1.14 -0.16 115.31 126.88 3kc0 h LEU 13 Ca -0.43 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.29 3kc0 h LEU 13 Cb 1.25 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 3kc0 h LEU 13 CO 0.68 0.50 0.16 0.74 -0.34 0.00 0.00 178.44 180.18 3kc0 h THR 14 N 0.86 1.11 -0.44 1.05 2.02 -1.96 -0.20 112.91 115.36 3kc0 h THR 14 Ca 0.28 -0.29 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 3kc0 h THR 14 Cb 0.02 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.20 3kc0 h THR 14 CO -0.11 0.11 0.18 -0.09 0.37 0.00 0.00 175.52 175.98 3kc0 h ARG 15 N 0.35 0.65 0.48 6.66 2.43 -1.88 -1.45 114.38 121.62 3kc0 h ARG 15 Ca 0.10 -0.12 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 3kc0 h ARG 15 Cb 0.04 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 29.48 3kc0 h ARG 15 CO -0.02 0.59 -0.25 0.35 -1.51 0.00 0.00 179.97 179.14 3kc0 h PHE 16 N 0.56 -0.65 -0.55 2.20 3.57 -0.82 -1.64 116.94 119.61 3kc0 h PHE 16 Ca 0.15 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3kc0 h PHE 16 Cb 0.18 0.22 -0.03 0.00 2.79 0.00 0.00 35.95 39.12 3kc0 h PHE 16 CO 0.00 -0.40 0.29 0.28 -2.23 0.00 0.00 178.31 176.25 3kc0 h VAL 17 N -0.68 1.17 -0.41 1.41 2.07 -1.01 -1.22 116.25 117.59 3kc0 h VAL 17 Ca -0.06 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 66.97 3kc0 h VAL 17 Cb 0.53 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3kc0 h VAL 17 CO 0.09 0.20 0.13 -0.03 0.02 0.00 0.00 177.57 177.98 3kc0 h MET 18 N 0.76 0.63 0.49 1.57 1.85 -1.06 -0.56 114.93 118.61 3kc0 h MET 18 Ca 0.19 -0.13 -0.02 0.00 -0.61 0.00 0.00 59.70 59.13 3kc0 h MET 18 Cb 0.04 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 31.98 3kc0 h MET 18 CO -0.03 0.62 -0.24 1.49 -0.40 0.00 0.00 176.91 178.35 3kc0 h GLU 19 N 0.51 -0.63 -0.62 0.39 4.57 -0.88 -0.44 114.58 117.48 3kc0 h GLU 19 Ca 0.13 0.04 0.05 0.00 -1.18 0.00 0.00 59.36 58.41 3kc0 h GLU 19 Cb 0.25 0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 28.95 3kc0 h GLU 19 CO -0.01 -0.38 0.41 0.93 -1.18 0.00 0.00 179.01 178.79 3kc0 h GLU 20 N -0.76 0.63 -0.30 1.92 4.39 -1.22 -1.15 114.58 118.08 3kc0 h GLU 20 Ca -0.07 -0.04 -0.15 0.00 0.34 0.00 0.00 59.36 59.44 3kc0 h GLU 20 Cb 0.55 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 3kc0 h GLU 20 CO 0.11 0.41 -0.43 0.78 -1.16 0.00 0.00 179.01 178.72 3kc0 h GLY 21 N 0.65 0.84 1.00 -3.84 0.00 -0.88 -2.56 103.07 98.28 3kc0 h GLY 21 Ca 0.26 -0.88 -0.05 0.00 0.00 0.00 0.00 47.33 46.66 3kc0 h GLY 21 CO -0.08 0.79 0.13 -0.09 0.00 0.00 0.00 176.54 177.30 3kc0 h ARG 22 N 0.62 0.88 -0.82 4.80 1.12 -0.05 -2.61 114.38 118.32 3kc0 h ARG 22 Ca 0.04 -0.21 -0.00 0.00 -1.11 0.00 0.00 59.98 58.70 3kc0 h ARG 22 Cb 0.99 -0.12 -0.04 0.00 -0.01 0.00 0.00 29.97 30.80 3kc0 h ARG 22 CO 0.09 0.83 0.51 0.87 -3.11 0.00 0.00 179.97 179.16 3kc0 h LYS 23 N 0.78 1.10 0.00 0.20 1.57 -1.17 -1.93 116.57 117.12 3kc0 h LYS 23 Ca 0.17 -0.09 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 3kc0 h LYS 23 Cb 0.34 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3kc0 h LYS 23 CO 0.00 0.75 -0.07 0.00 -0.57 0.00 0.00 179.45 179.56 3kc0 h ALA 24 N 1.44 1.31 -6.09 3.86 0.00 -1.07 -3.47 119.26 115.24 3kc0 h ALA 24 Ca 0.30 -0.07 -0.41 0.00 0.00 0.00 0.00 54.91 54.73 3kc0 h ALA 24 Cb -0.08 -0.01 0.08 0.00 0.00 0.00 0.00 17.79 17.79 3kc0 h ALA 24 CO -0.06 0.09 -0.89 0.54 0.00 0.00 0.00 179.25 178.93 3kc0 n ARG 25 N -3.63 -2.57 0.00 0.00 1.74 -0.73 -5.00 116.66 106.48 3kc0 n ARG 25 Ca -0.02 0.56 0.00 0.00 -0.77 0.00 0.00 57.85 57.62 3kc0 n ARG 25 Cb 0.19 -4.71 0.00 0.00 -1.02 0.00 0.00 32.46 26.92 3kc0 n ARG 25 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3kc0 n GLY 26 N -1.61 5.29 0.20 -0.13 0.00 -1.26 -5.03 105.19 102.66 3kc0 n GLY 26 Ca -0.17 -1.86 0.09 0.00 0.00 0.00 0.00 46.02 44.08 3kc0 n GLY 26 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3kc0 h THR 27 N 0.00 0.43 0.00 2.61 1.35 -1.94 -3.47 112.91 111.89 3kc0 h THR 27 Ca 0.00 -1.33 0.00 0.00 -0.55 0.00 0.00 66.41 64.53 3kc0 h THR 27 Cb 0.00 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 68.40 3kc0 h THR 27 CO 0.00 0.21 0.00 0.61 -0.25 0.00 0.00 175.52 176.09 3kc0 n GLY 28 N 0.69 0.71 0.19 5.82 0.00 -1.26 -4.98 105.19 106.35 3kc0 n GLY 28 Ca 0.02 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.89 3kc0 n GLY 28 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3kc0 h GLU 29 N 4.01 -0.38 -0.79 1.61 5.08 -1.97 -2.32 114.58 119.82 3kc0 h GLU 29 Ca 0.00 0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.48 3kc0 h GLU 29 Cb 0.00 0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.28 3kc0 h GLU 29 CO 0.00 -0.25 0.52 1.25 -1.00 0.00 0.00 179.01 179.52 3kc0 h LEU 30 N -0.40 0.66 -0.45 1.33 5.85 -1.93 0.19 115.31 120.55 3kc0 h LEU 30 Ca -0.04 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 3kc0 h LEU 30 Cb 0.31 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kc0 h LEU 30 CO 0.07 0.39 0.28 0.74 -0.34 0.00 0.00 178.44 179.58 3kc0 h THR 31 N 0.73 1.13 -0.58 1.05 2.02 -1.83 -0.07 112.91 115.37 3kc0 h THR 31 Ca 0.36 -0.27 -0.10 0.00 0.77 0.00 0.00 66.41 67.17 3kc0 h THR 31 Cb 0.44 0.51 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 3kc0 h THR 31 CO -0.14 0.13 -0.05 1.56 0.37 0.00 0.00 175.52 177.39 3kc0 h GLN 32 N 0.60 1.04 0.34 6.66 1.08 -0.47 -1.55 115.11 122.82 3kc0 h GLN 32 Ca 0.16 -0.35 -0.01 0.00 -1.45 0.00 0.00 58.65 57.00 3kc0 h GLN 32 Cb -0.03 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.31 3kc0 h GLN 32 CO -0.03 1.05 -0.22 1.25 -0.95 0.00 0.00 178.83 179.92 3kc0 h LEU 33 N 0.94 -0.55 -1.10 1.46 6.46 -0.21 -1.15 115.31 121.16 3kc0 h LEU 33 Ca 0.16 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.95 3kc0 h LEU 33 Cb 0.61 0.17 -0.04 0.00 -0.73 0.00 0.00 40.66 40.67 3kc0 h LEU 33 CO 0.04 -0.35 0.46 -0.07 -0.62 0.00 0.00 178.44 177.90 3kc0 h LEU 34 N -0.55 0.96 -0.43 2.25 3.38 -0.96 -0.56 115.31 119.40 3kc0 h LEU 34 Ca -0.03 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3kc0 h LEU 34 Cb 0.46 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 3kc0 h LEU 34 CO 0.03 0.75 0.28 0.78 0.09 0.00 0.00 178.44 180.36 3kc0 h ASN 35 N 1.09 0.50 -0.36 -0.43 -0.26 -1.03 0.56 115.58 115.65 3kc0 h ASN 35 Ca 0.28 -0.03 -0.00 0.00 -0.56 0.00 0.00 56.30 55.99 3kc0 h ASN 35 Cb -0.02 -0.13 -0.02 0.00 -1.06 0.00 0.00 38.32 37.09 3kc0 h ASN 35 CO -0.05 0.38 0.21 0.28 -1.06 0.00 0.00 177.43 177.19 3kc0 h SER 36 N 0.58 0.44 -0.65 5.81 0.02 -0.58 -1.48 113.55 117.69 3kc0 h SER 36 Ca 0.16 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.03 3kc0 h SER 36 Cb -0.04 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 62.35 3kc0 h SER 36 CO -0.03 0.38 0.37 0.25 -1.14 0.00 0.00 176.83 176.66 3kc0 h LEU 37 N 0.47 0.79 -0.48 5.07 5.85 -0.81 -1.27 115.31 124.93 3kc0 h LEU 37 Ca 0.13 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.81 3kc0 h LEU 37 Cb 0.03 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.82 3kc0 h LEU 37 CO -0.02 0.63 0.26 0.00 -0.34 0.00 0.00 178.44 178.97 3kc0 h THR 39 N 0.51 1.20 -0.40 0.00 2.02 -0.90 -1.69 112.91 113.64 3kc0 h THR 39 Ca 0.20 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.91 3kc0 h THR 39 Cb 0.09 0.31 -0.02 0.00 -1.74 0.00 0.00 68.15 66.79 3kc0 h THR 39 CO -0.13 0.21 0.24 0.00 0.37 0.00 0.00 175.52 176.21 3kc0 h ALA 40 N 1.19 0.51 -0.84 6.16 0.00 -0.41 -1.30 119.26 124.57 3kc0 h ALA 40 Ca 0.24 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.12 3kc0 h ALA 40 Cb 0.01 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 17.59 3kc0 h ALA 40 CO -0.04 0.00 0.54 0.28 0.00 0.00 0.00 179.25 180.03 3kc0 h VAL 41 N 0.52 1.13 -0.49 0.00 2.07 -0.43 0.18 116.25 119.24 3kc0 h VAL 41 Ca 0.14 -0.36 0.00 0.00 0.82 0.00 0.00 66.70 67.31 3kc0 h VAL 41 Cb 0.00 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.74 3kc0 h VAL 41 CO -0.03 0.19 0.32 0.11 0.02 0.00 0.00 177.57 178.19 3kc0 h LYS 42 N 1.05 0.65 -0.36 1.57 1.57 -0.85 0.14 116.57 120.34 3kc0 h LYS 42 Ca 0.34 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.08 3kc0 h LYS 42 Cb 0.01 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 3kc0 h LYS 42 CO -0.12 0.43 0.23 0.00 -0.57 0.00 0.00 179.45 179.43 3kc0 h ALA 43 N 1.18 0.45 -0.45 3.86 0.00 -0.18 -0.98 119.26 123.15 3kc0 h ALA 43 Ca 0.18 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3kc0 h ALA 43 Cb -0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 3kc0 h ALA 43 CO -0.04 -0.08 0.26 0.82 0.00 0.00 0.00 179.25 180.21 3kc0 h ILE 44 N 0.48 1.15 -0.39 0.00 2.04 -0.23 -2.11 117.51 118.46 3kc0 h ILE 44 Ca 0.13 -0.37 0.07 0.00 1.00 0.00 0.00 64.86 65.69 3kc0 h ILE 44 Cb -0.04 0.59 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 3kc0 h ILE 44 CO -0.03 0.16 0.02 -1.28 0.00 0.00 0.00 178.15 177.02 3kc0 h SER 45 N 0.59 -0.11 -0.41 1.72 0.87 -0.30 0.36 113.55 116.27 3kc0 h SER 45 Ca 0.16 0.08 0.07 0.00 -1.23 0.00 0.00 61.79 60.87 3kc0 h SER 45 Cb 0.03 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 3kc0 h SER 45 CO -0.03 -0.02 0.08 -1.28 -0.53 0.00 0.00 176.83 175.05 3kc0 h SER 46 N 0.13 -0.01 -0.16 6.23 0.87 -0.89 -0.87 113.55 118.86 3kc0 h SER 46 Ca 0.19 0.07 -0.01 0.00 -1.23 0.00 0.00 61.79 60.81 3kc0 h SER 46 Cb 0.26 0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.31 3kc0 h SER 46 CO -0.30 0.03 0.05 0.00 -0.53 0.00 0.00 176.83 176.09 3kc0 h ALA 47 N 1.32 0.21 -0.74 6.23 0.00 -0.64 -2.56 119.26 123.08 3kc0 h ALA 47 Ca 0.20 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3kc0 h ALA 47 Cb 0.25 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 3kc0 h ALA 47 CO -0.27 -0.17 0.49 0.28 0.00 0.00 0.00 179.25 179.58 3kc0 h VAL 48 N 0.09 1.13 0.00 0.00 2.07 0.10 0.74 116.25 120.39 3kc0 h VAL 48 Ca 0.05 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.26 3kc0 h VAL 48 Cb 0.21 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.11 3kc0 h VAL 48 CO -0.00 0.17 0.00 0.54 0.02 0.00 0.00 177.57 178.30 3kc0 n ARG 49 N -4.45 0.90 -2.43 1.57 3.00 -0.37 -4.88 116.66 110.00 3kc0 n ARG 49 Ca 0.09 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.77 3kc0 n ARG 49 Cb 0.10 -1.07 0.00 0.00 0.00 0.00 0.00 32.46 31.49 3kc0 n ARG 49 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 3kc0 n LYS 50 N -0.41 -1.88 -1.75 5.56 4.76 0.25 -4.96 118.16 119.73 3kc0 n LYS 50 Ca 0.00 0.74 -0.42 0.00 -2.87 0.00 0.00 58.31 55.76 3kc0 n LYS 50 Cb 0.03 -5.11 -0.03 0.00 -1.84 0.00 0.00 35.03 28.08 3kc0 n LYS 50 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3kc0 s ALA 51 N -2.84 3.89 0.00 7.82 0.00 -0.98 -1.69 121.76 127.96 3kc0 s ALA 51 Ca 0.06 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.60 3kc0 s ALA 51 Cb -0.03 -3.68 0.00 0.00 0.00 0.00 0.00 23.12 19.41 3kc0 s ALA 51 CO 0.07 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3kc0 n GLY 52 N 3.49 0.92 0.41 0.00 0.00 -1.26 -4.87 105.19 103.88 3kc0 n GLY 52 Ca 0.14 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.38 3kc0 n GLY 52 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc0 h ILE 53 N 0.00 0.42 -0.65 -0.61 2.10 -1.73 0.33 117.51 117.37 3kc0 h ILE 53 Ca 0.00 0.00 0.06 0.00 1.08 0.00 0.00 64.86 66.00 3kc0 h ILE 53 Cb 0.00 0.60 -0.04 0.00 -1.09 0.00 0.00 36.82 36.30 3kc0 h ILE 53 CO 0.00 0.00 0.43 0.00 -1.08 0.00 0.00 178.15 177.50 3kc0 h ALA 54 N 1.49 1.77 -0.15 0.18 0.00 -1.90 -0.15 119.26 120.50 3kc0 h ALA 54 Ca 0.26 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 3kc0 h ALA 54 Cb 1.29 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3kc0 h ALA 54 CO -0.00 0.12 -0.41 0.45 0.00 0.00 0.00 179.25 179.40 3kc0 h HIS 55 N 0.65 0.40 0.00 0.00 3.86 -1.32 -1.63 115.15 117.10 3kc0 h HIS 55 Ca 0.28 -0.11 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3kc0 h HIS 55 Cb 0.28 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 28.66 3kc0 h HIS 55 CO -0.00 0.70 -0.22 1.25 0.86 0.00 0.00 177.93 180.52 3kc0 h LEU 56 N 0.28 0.00 -3.64 2.43 7.12 -1.09 -2.57 115.31 117.84 3kc0 h LEU 56 Ca 0.02 0.00 -0.11 0.00 0.13 0.00 0.00 57.88 57.92 3kc0 h LEU 56 Cb 0.85 0.00 -0.07 0.00 -0.53 0.00 0.00 40.66 40.91 3kc0 h LEU 56 CO 0.07 0.22 0.14 -1.22 -0.13 0.00 0.00 178.44 177.52 3kc0 n TYR 57 N -3.68 2.21 -1.60 1.25 4.02 -0.80 -4.96 117.16 113.60 3kc0 n TYR 57 Ca -0.01 -0.99 -0.05 0.00 -0.01 0.00 0.00 57.90 56.84 3kc0 n TYR 57 Cb 0.34 -0.60 -0.01 0.00 -0.02 0.00 0.00 39.34 39.05 3kc0 n TYR 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3kc0 n GLY 58 N 0.15 0.46 0.33 2.72 0.00 -0.97 -4.94 105.19 102.94 3kc0 n GLY 58 Ca 0.34 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.68 3kc0 n GLY 58 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3kc0 h ILE 59 N 0.00 0.97 -0.53 -0.61 2.10 -1.52 -0.88 117.51 117.03 3kc0 h ILE 59 Ca -0.10 -0.13 0.00 0.00 1.08 0.00 0.00 64.86 65.71 3kc0 h ILE 59 Cb 0.69 0.57 0.00 0.00 -1.09 0.00 0.00 36.82 36.98 3kc0 h ILE 59 CO 0.14 0.07 0.00 0.00 -1.08 0.00 0.00 178.15 177.27 3kc0 n ALA 60 N -2.52 3.20 0.00 0.18 0.00 -1.26 -5.07 120.51 115.04 3kc0 n ALA 60 Ca 0.06 -1.79 0.00 0.00 0.00 0.00 0.00 53.44 51.71 3kc0 n ALA 60 Cb 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3kc0 n ALA 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 61 N 0.63 0.88 0.00 0.00 0.00 -0.34 -5.20 105.19 101.16 3kc0 n GLY 61 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 3kc0 n GLY 61 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3kc0 n VAL 70 N -1.79 0.00 -4.14 1.61 0.31 -1.26 -4.75 118.33 108.31 3kc0 n VAL 70 Ca 0.00 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.07 3kc0 n VAL 70 Cb 0.00 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 32.87 3kc0 n VAL 70 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3kc0 s LYS 71 N 0.00 2.24 0.59 5.55 -2.85 -1.26 -5.10 119.74 118.90 3kc0 s LYS 71 Ca 0.00 -1.92 -0.18 0.00 -1.00 0.00 0.00 55.97 52.86 3kc0 s LYS 71 Cb 0.00 -1.97 -0.03 0.00 -2.06 0.00 0.00 37.83 33.77 3kc0 s LYS 71 CO 0.00 -0.23 1.15 0.21 0.10 0.00 0.00 175.35 176.58 3kc0 s LYS 72 N -3.97 3.08 0.23 1.78 2.47 -1.26 -4.87 119.74 117.19 3kc0 s LYS 72 Ca 0.36 1.62 -0.07 0.00 -1.56 0.00 0.00 55.97 56.32 3kc0 s LYS 72 Cb 0.02 -1.97 0.21 0.00 -1.46 0.00 0.00 37.83 34.64 3kc0 s LYS 72 CO 0.20 -1.07 1.86 -0.07 0.16 0.00 0.00 175.35 176.43 3kc0 h LEU 73 N 0.78 1.11 -0.64 5.43 4.07 -1.99 -1.57 115.31 122.51 3kc0 h LEU 73 Ca -0.49 -0.09 -0.03 0.00 0.08 0.00 0.00 57.88 57.34 3kc0 h LEU 73 Cb 1.27 -0.28 -0.03 0.00 1.08 0.00 0.00 40.66 42.70 3kc0 h LEU 73 CO 0.55 0.88 0.27 -2.24 -1.08 0.00 0.00 178.44 176.82 3kc0 h ASP 74 N 1.25 0.88 0.42 -0.43 -0.00 -1.93 0.13 116.42 116.73 3kc0 h ASP 74 Ca 0.32 -0.16 -0.02 0.00 -0.00 0.00 0.00 57.03 57.17 3kc0 h ASP 74 Cb 0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 39.33 39.11 3kc0 h ASP 74 CO -0.05 0.80 -0.21 0.58 -0.00 0.00 0.00 179.24 180.35 3kc0 h VAL 75 N 0.90 0.56 -0.51 4.15 2.07 -1.87 -0.65 116.25 120.89 3kc0 h VAL 75 Ca 0.22 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.78 3kc0 h VAL 75 Cb 0.19 0.56 -0.04 0.00 -1.52 0.00 0.00 31.29 30.47 3kc0 h VAL 75 CO -0.02 0.00 0.26 0.25 0.02 0.00 0.00 177.57 178.08 3kc0 h LEU 76 N -0.58 0.37 -0.63 2.57 5.85 -1.15 -0.23 115.31 121.51 3kc0 h LEU 76 Ca -0.05 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.73 3kc0 h LEU 76 Cb 0.46 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 41.40 3kc0 h LEU 76 CO 0.08 0.26 0.38 0.28 -0.34 0.00 0.00 178.44 179.09 3kc0 h SER 77 N 0.50 0.60 -0.68 1.25 0.02 -0.55 -0.29 113.55 114.41 3kc0 h SER 77 Ca 0.22 0.01 -0.06 0.00 -0.84 0.00 0.00 61.79 61.13 3kc0 h SER 77 Cb 0.13 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.53 3kc0 h SER 77 CO -0.16 0.41 0.19 -1.13 -1.14 0.00 0.00 176.83 175.01 3kc0 h ASN 78 N 0.73 1.01 -0.64 3.07 -0.00 -0.53 -2.16 115.58 117.06 3kc0 h ASN 78 Ca 0.26 -0.22 -0.04 0.00 -0.00 0.00 0.00 56.30 56.31 3kc0 h ASN 78 Cb 0.07 -0.27 -0.03 0.00 -0.00 0.00 0.00 38.32 38.10 3kc0 h ASN 78 CO -0.13 0.96 0.26 0.44 -0.00 0.00 0.00 177.43 178.97 3kc0 h ASP 79 N 1.01 0.88 0.23 1.15 3.32 -0.33 -0.87 116.42 121.79 3kc0 h ASP 79 Ca 0.22 -0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.09 3kc0 h ASP 79 Cb 0.33 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.65 3kc0 h ASP 79 CO -0.00 0.80 -0.11 -0.07 -1.72 0.00 0.00 179.24 178.14 3kc0 h LEU 80 N 0.89 -0.26 -0.20 1.55 3.38 -0.81 0.25 115.31 120.11 3kc0 h LEU 80 Ca 0.21 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 3kc0 h LEU 80 Cb 0.20 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3kc0 h LEU 80 CO -0.02 -0.07 0.13 0.58 0.09 0.00 0.00 178.44 179.15 3kc0 h VAL 81 N -0.44 1.07 0.04 1.22 2.07 -1.37 -0.11 116.25 118.74 3kc0 h VAL 81 Ca -0.03 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.36 3kc0 h VAL 81 Cb 0.33 0.81 -0.04 0.00 -1.52 0.00 0.00 31.29 30.87 3kc0 h VAL 81 CO 0.05 0.07 -0.23 0.24 0.02 0.00 0.00 177.57 177.72 3kc0 h MET 82 N 0.26 -0.37 -0.43 1.57 2.86 -1.11 0.73 114.93 118.44 3kc0 h MET 82 Ca 0.07 0.03 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 3kc0 h MET 82 Cb -0.00 0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3kc0 h MET 82 CO -0.01 -0.25 -0.02 -0.97 1.06 0.00 0.00 176.91 176.71 3kc0 h ASN 83 N -0.39 0.77 -0.57 1.22 -1.24 -0.85 -1.03 115.58 113.50 3kc0 h ASN 83 Ca 0.05 -0.32 -0.07 0.00 0.71 0.00 0.00 56.30 56.66 3kc0 h ASN 83 Cb 0.44 -0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.26 3kc0 h ASN 83 CO -0.18 0.91 0.08 0.24 -1.29 0.00 0.00 177.43 177.19 3kc0 h MET 84 N 0.62 0.98 -0.14 6.67 2.86 -0.87 -0.82 114.93 124.23 3kc0 h MET 84 Ca 0.12 -0.25 -0.05 0.00 -2.06 0.00 0.00 59.70 57.46 3kc0 h MET 84 Cb 0.52 -0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.06 3kc0 h MET 84 CO 0.03 0.92 -0.11 -0.07 1.06 0.00 0.00 176.91 178.74 3kc0 h LEU 85 N 0.92 0.34 -0.31 1.22 3.38 -0.76 -2.66 115.31 117.44 3kc0 h LEU 85 Ca 0.18 -0.45 0.03 0.00 0.09 0.00 0.00 57.88 57.73 3kc0 h LEU 85 Cb 0.42 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.05 3kc0 h LEU 85 CO 0.01 0.72 0.11 0.11 0.09 0.00 0.00 178.44 179.48 3kc0 h LYS 86 N -0.04 0.25 0.00 1.13 1.57 -1.08 -1.88 116.57 116.52 3kc0 h LYS 86 Ca 0.03 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3kc0 h LYS 86 Cb 0.61 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.86 3kc0 h LYS 86 CO 0.03 0.16 0.00 -1.13 -0.57 0.00 0.00 179.45 177.94 3kc0 n SER 87 N -5.01 0.00 0.16 0.86 3.41 -0.32 -2.55 113.62 110.17 3kc0 n SER 87 Ca -0.00 -0.14 0.08 0.00 -0.26 0.00 0.00 58.87 58.55 3kc0 n SER 87 Cb 0.10 -0.16 0.08 0.00 -0.26 0.00 0.00 64.21 63.97 3kc0 n SER 87 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3kc0 h SER 88 N 0.00 0.00 -0.40 4.04 4.64 -0.97 -3.47 113.55 117.38 3kc0 h SER 88 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 3kc0 h SER 88 Cb 0.07 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.09 3kc0 h SER 88 CO 0.00 0.22 -0.16 0.49 -0.87 0.00 0.00 176.83 176.51 3kc0 n PHE 89 N -3.07 0.00 0.27 4.77 3.01 -1.06 -4.77 117.46 116.62 3kc0 n PHE 89 Ca 0.02 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.52 3kc0 n PHE 89 Cb 0.63 -1.88 0.05 0.00 -0.01 0.00 0.00 39.48 38.26 3kc0 n PHE 89 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3kc0 n ALA 90 N 1.16 2.43 -2.44 4.37 0.00 -1.26 -3.26 120.51 121.52 3kc0 n ALA 90 Ca -0.08 -0.65 -0.22 0.00 0.00 0.00 0.00 53.44 52.49 3kc0 n ALA 90 Cb 0.36 -0.29 -0.10 0.00 0.00 0.00 0.00 19.45 19.42 3kc0 n ALA 90 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3kc0 s THR 91 N -0.73 1.81 0.00 0.00 -4.23 -1.26 -1.00 115.64 110.23 3kc0 s THR 91 Ca 0.11 -2.17 0.00 0.00 -1.18 0.00 0.00 61.69 58.44 3kc0 s THR 91 Cb 0.07 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.51 3kc0 s THR 91 CO 0.11 -0.34 0.00 0.00 -0.54 0.00 0.00 174.62 173.85 3kc0 s VAL 93 N -0.97 0.38 -0.14 0.00 1.01 -1.26 -0.74 120.40 118.68 3kc0 s VAL 93 Ca 0.00 0.11 0.02 0.00 0.00 0.00 0.00 61.98 62.11 3kc0 s VAL 93 Cb 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 36.38 35.86 3kc0 s VAL 93 CO 0.00 0.25 -0.21 -0.76 0.00 0.00 0.00 175.10 174.39 3kc0 s LEU 94 N 1.88 2.21 -0.15 3.92 1.43 0.13 -1.53 118.68 126.56 3kc0 s LEU 94 Ca 0.04 -0.56 0.01 0.00 -1.03 0.00 0.00 54.13 52.59 3kc0 s LEU 94 Cb -0.12 -1.47 0.00 0.00 0.03 0.00 0.00 46.19 44.63 3kc0 s LEU 94 CO -0.05 0.10 -0.18 -0.69 0.23 0.00 0.00 176.35 175.76 3kc0 s VAL 95 N 0.72 2.39 0.02 -1.59 1.01 -0.01 -0.13 120.40 122.81 3kc0 s VAL 95 Ca -0.09 -0.86 0.04 0.00 0.00 0.00 0.00 61.98 61.07 3kc0 s VAL 95 Cb -0.16 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.21 3kc0 s VAL 95 CO 0.01 0.53 -0.12 -0.55 0.00 0.00 0.00 175.10 174.96 3kc0 s SER 96 N 0.88 1.45 0.54 3.32 0.15 -1.26 0.11 113.70 118.90 3kc0 s SER 96 Ca -0.05 -0.36 0.27 0.00 0.70 0.00 0.00 55.95 56.52 3kc0 s SER 96 Cb -0.15 -0.11 1.44 0.00 -1.71 0.00 0.00 66.02 65.49 3kc0 s SER 96 CO -0.02 0.06 1.96 -0.08 1.20 0.00 0.00 173.24 176.36 3kc0 h GLU 97 N 5.28 0.00 -0.30 5.44 4.81 -1.90 -2.41 114.58 125.49 3kc0 h GLU 97 Ca -0.35 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 58.88 3kc0 h GLU 97 Cb 1.18 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.54 3kc0 h GLU 97 CO 0.46 0.00 0.18 0.93 -0.73 0.00 0.00 179.01 179.85 3kc0 h GLU 98 N 0.00 0.36 -5.45 1.92 4.39 -1.95 -3.42 114.58 110.43 3kc0 h GLU 98 Ca 0.29 -0.02 -0.60 0.00 0.34 0.00 0.00 59.36 59.36 3kc0 h GLU 98 Cb 1.19 -0.08 -0.10 0.00 -0.10 0.00 0.00 28.75 29.65 3kc0 h GLU 98 CO -0.00 0.24 -0.39 0.34 -1.16 0.00 0.00 179.01 178.03 3kc0 s ASP 99 N -5.44 6.37 0.24 1.42 2.15 -0.91 -4.97 116.67 115.53 3kc0 s ASP 99 Ca -0.13 0.42 -0.04 0.00 0.43 0.00 0.00 52.55 53.23 3kc0 s ASP 99 Cb 0.10 -2.14 0.39 0.00 -0.30 0.00 0.00 42.92 40.96 3kc0 s ASP 99 CO 0.71 0.16 1.82 0.50 -0.17 0.00 0.00 175.17 178.19 3kc0 h LYS 100 N 6.46 0.81 -6.29 4.34 1.63 -1.84 -3.42 116.57 118.26 3kc0 h LYS 100 Ca -0.43 -0.05 -0.61 0.00 -0.85 0.00 0.00 60.65 58.71 3kc0 h LYS 100 Cb 1.17 -0.18 -0.10 0.00 -0.60 0.00 0.00 32.23 32.52 3kc0 h LYS 100 CO 0.74 0.53 -0.63 -1.01 -3.45 0.00 0.00 179.45 175.63 3kc0 s HIS 101 N -6.03 3.00 0.48 1.91 3.76 -1.26 -4.94 115.29 112.20 3kc0 s HIS 101 Ca -0.12 -0.05 -0.24 0.00 -0.15 0.00 0.00 55.06 54.50 3kc0 s HIS 101 Cb 0.19 -1.48 -0.07 0.00 1.11 0.00 0.00 32.58 32.33 3kc0 s HIS 101 CO 0.78 0.51 1.32 0.00 -0.85 0.00 0.00 174.74 176.50 3kc0 s ALA 102 N -1.59 3.02 -0.16 -1.40 0.00 -1.26 -4.86 121.76 115.52 3kc0 s ALA 102 Ca 0.28 1.26 -0.15 0.00 0.00 0.00 0.00 51.96 53.34 3kc0 s ALA 102 Cb -0.10 -3.52 -0.04 0.00 0.00 0.00 0.00 23.12 19.45 3kc0 s ALA 102 CO 0.20 -1.08 0.35 0.42 0.00 0.00 0.00 175.76 175.66 3kc0 s ILE 103 N -1.32 5.26 -0.30 0.00 1.09 0.82 -4.87 121.20 121.88 3kc0 s ILE 103 Ca 0.65 0.67 -0.13 0.00 -1.10 0.00 0.00 60.65 60.74 3kc0 s ILE 103 Cb -0.38 -3.69 -0.03 0.00 -1.06 0.00 0.00 42.46 37.30 3kc0 s ILE 103 CO 0.47 0.35 0.29 -0.63 -0.10 0.00 0.00 174.94 175.32 3kc0 s ILE 104 N 0.62 5.24 0.31 2.92 -1.09 -1.26 -0.70 121.20 127.24 3kc0 s ILE 104 Ca 0.19 0.17 -0.29 0.00 -2.23 0.00 0.00 60.65 58.48 3kc0 s ILE 104 Cb -0.14 -3.68 -0.11 0.00 -1.58 0.00 0.00 42.46 36.95 3kc0 s ILE 104 CO 0.06 0.09 1.52 -0.69 -1.23 0.00 0.00 174.94 174.69 3kc0 s VAL 105 N 1.90 2.20 0.56 2.92 1.01 0.08 -4.92 120.40 124.14 3kc0 s VAL 105 Ca 0.10 0.18 -0.20 0.00 0.00 0.00 0.00 61.98 62.06 3kc0 s VAL 105 Cb -0.16 -3.12 -0.06 0.00 0.00 0.00 0.00 36.38 33.04 3kc0 s VAL 105 CO 0.11 0.03 1.05 -1.84 0.00 0.00 0.00 175.10 174.45 3kc0 n GLU 106 N 1.68 1.14 -0.32 2.72 0.28 -1.26 -4.76 120.64 120.11 3kc0 n GLU 106 Ca 0.06 0.43 0.14 0.00 -0.16 0.00 0.00 57.16 57.62 3kc0 n GLU 106 Cb 0.39 -2.23 0.32 0.00 1.43 0.00 0.00 31.44 31.35 3kc0 n GLU 106 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 177.13 175.97 3kc0 h PRO 107 N 0.87 0.48 0.00 3.44 0.13 -1.99 -1.88 132.00 133.05 3kc0 h PRO 107 Ca -0.48 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3kc0 h PRO 107 Cb 1.35 -0.11 0.00 0.00 0.13 0.00 0.00 31.00 32.37 3kc0 h PRO 107 CO 0.53 0.32 0.00 0.39 -0.23 0.00 0.00 178.00 179.01 3kc0 n GLU 108 N -4.96 0.63 -0.07 0.86 1.02 -1.26 -2.95 120.64 113.91 3kc0 n GLU 108 Ca 0.23 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.38 3kc0 n GLU 108 Cb 0.65 -1.41 0.01 0.00 -0.02 0.00 0.00 31.44 30.67 3kc0 n GLU 108 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 3kc0 n LYS 109 N -0.91 1.09 -2.35 3.49 5.02 -0.71 -5.06 118.16 118.72 3kc0 n LYS 109 Ca 0.12 -1.07 -0.40 0.00 -2.02 0.00 0.00 58.31 54.94 3kc0 n LYS 109 Cb 0.06 -0.75 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 3kc0 n LYS 109 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3kc0 s ARG 110 N -0.58 4.53 0.45 1.97 0.52 -1.15 -3.87 118.95 120.83 3kc0 s ARG 110 Ca 0.03 1.95 0.02 0.00 -0.52 0.00 0.00 55.73 57.21 3kc0 s ARG 110 Cb 0.02 -3.15 -0.01 0.00 0.52 0.00 0.00 34.95 32.33 3kc0 s ARG 110 CO 0.00 0.06 0.08 0.41 0.02 0.00 0.00 175.30 175.86 3kc0 n GLY 111 N 1.15 3.40 0.49 -3.53 0.00 0.88 -4.66 105.19 102.93 3kc0 n GLY 111 Ca -0.00 -2.24 0.13 0.00 0.00 0.00 0.00 46.02 43.91 3kc0 n GLY 111 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 3kc0 n LYS 112 N -1.07 1.67 -3.96 1.61 2.85 -1.17 -3.71 118.16 114.39 3kc0 n LYS 112 Ca -0.13 -0.99 -0.30 0.00 -1.05 0.00 0.00 58.31 55.84 3kc0 n LYS 112 Cb 0.62 -1.46 -0.05 0.00 -0.65 0.00 0.00 35.03 33.49 3kc0 n LYS 112 CO 0.00 0.00 0.00 0.71 -0.05 0.00 0.00 177.40 178.06 3kc0 s TYR 113 N -1.95 3.43 -0.08 5.58 2.02 -0.17 0.18 117.35 126.36 3kc0 s TYR 113 Ca 0.37 0.19 0.03 0.00 -0.37 0.00 0.00 57.07 57.29 3kc0 s TYR 113 Cb 0.20 -1.71 -0.02 0.00 -0.40 0.00 0.00 41.96 40.03 3kc0 s TYR 113 CO 0.32 0.57 -0.16 0.08 -1.57 0.00 0.00 175.55 174.79 3kc0 s VAL 114 N -1.50 2.85 -0.06 0.71 1.01 0.15 -1.58 120.40 121.98 3kc0 s VAL 114 Ca 0.33 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.57 3kc0 s VAL 114 Cb -0.13 -2.14 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3kc0 s VAL 114 CO 0.26 0.56 -0.12 -0.69 0.00 0.00 0.00 175.10 175.11 3kc0 s VAL 115 N -0.17 1.13 -0.09 2.92 1.01 -0.58 -0.21 120.40 124.41 3kc0 s VAL 115 Ca -0.01 -0.48 0.01 0.00 0.00 0.00 0.00 61.98 61.51 3kc0 s VAL 115 Cb -0.13 -1.03 -0.02 0.00 0.00 0.00 0.00 36.38 35.19 3kc0 s VAL 115 CO 0.03 0.35 -0.13 0.00 0.00 0.00 0.00 175.10 175.36 3kc0 s PHE 117 N -0.18 -0.53 -0.34 0.00 -0.71 0.12 -0.05 117.98 116.29 3kc0 s PHE 117 Ca 0.00 0.37 -0.01 0.00 -1.04 0.00 0.00 56.93 56.25 3kc0 s PHE 117 Cb -0.13 0.55 0.08 0.00 -1.21 0.00 0.00 43.02 42.30 3kc0 s PHE 117 CO 0.03 -0.80 0.07 0.34 -1.34 0.00 0.00 175.22 173.52 3kc0 s ASP 118 N -2.62 4.98 0.33 1.98 -1.08 -0.51 -2.66 116.67 117.09 3kc0 s ASP 118 Ca 0.01 -1.63 0.05 0.00 -0.52 0.00 0.00 52.55 50.46 3kc0 s ASP 118 Cb -0.01 -1.73 0.69 0.00 -1.46 0.00 0.00 42.92 40.41 3kc0 s ASP 118 CO -0.11 -0.36 1.89 1.55 0.52 0.00 0.00 175.17 178.65 3kc0 h PRO 119 N 7.96 0.81 -1.92 4.34 0.13 -1.89 -2.31 132.00 139.13 3kc0 h PRO 119 Ca -0.16 -0.05 -0.35 0.00 -0.87 0.00 0.00 66.00 64.57 3kc0 h PRO 119 Cb 1.05 -0.18 -0.31 0.00 0.13 0.00 0.00 31.00 31.69 3kc0 h PRO 119 CO 0.58 0.54 -0.67 -1.17 -0.23 0.00 0.00 178.00 177.05 3kc0 s LEU 120 N -9.91 -0.14 0.20 1.56 2.96 -1.25 -4.43 118.68 107.67 3kc0 s LEU 120 Ca -0.11 -1.47 -0.30 0.00 -0.22 0.00 0.00 54.13 52.03 3kc0 s LEU 120 Cb 0.21 0.62 -0.08 0.00 0.50 0.00 0.00 46.19 47.44 3kc0 s LEU 120 CO 0.79 -0.27 1.11 -0.62 -1.32 0.00 0.00 176.35 176.04 3kc0 s ASP 121 N 1.53 7.26 0.00 3.68 2.15 0.12 -2.96 116.67 128.44 3kc0 s ASP 121 Ca 0.16 2.14 0.00 0.00 0.43 0.00 0.00 52.55 55.28 3kc0 s ASP 121 Cb -0.15 -2.61 0.00 0.00 -0.30 0.00 0.00 42.92 39.86 3kc0 s ASP 121 CO -0.06 -0.21 0.00 0.61 -0.17 0.00 0.00 175.17 175.34 3kc0 n GLY 122 N 1.88 0.69 0.32 2.66 0.00 -1.26 -2.58 105.19 106.90 3kc0 n GLY 122 Ca 0.02 0.00 0.20 0.00 0.00 0.00 0.00 46.02 46.24 3kc0 n GLY 122 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc0 h SER 123 N 0.00 0.00 0.00 1.61 4.64 -1.90 -1.32 113.55 116.58 3kc0 h SER 123 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3kc0 h SER 123 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 3kc0 h SER 123 CO 0.00 0.00 0.03 -1.28 -0.87 0.00 0.00 176.83 174.71 3kc0 h SER 124 N 0.00 0.00 -2.01 4.97 0.87 -1.91 -3.09 113.55 112.37 3kc0 h SER 124 Ca -0.00 0.00 -0.49 0.00 -1.23 0.00 0.00 61.79 60.07 3kc0 h SER 124 Cb 0.03 0.00 -0.40 0.00 -0.44 0.00 0.00 62.40 61.59 3kc0 h SER 124 CO 0.00 0.00 -1.17 -3.20 -0.53 0.00 0.00 176.83 171.93 3kc0 n ASN 125 N -2.48 0.98 -0.03 6.23 2.85 -0.50 -4.86 115.26 117.46 3kc0 n ASN 125 Ca -0.02 -3.03 0.11 0.00 -0.11 0.00 0.00 54.58 51.53 3kc0 n ASN 125 Cb 0.07 -0.62 0.07 0.00 1.24 0.00 0.00 39.78 40.54 3kc0 n ASN 125 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 3kc0 n ILE 126 N 0.31 0.00 0.23 -1.44 5.41 -1.17 -4.20 119.36 118.50 3kc0 n ILE 126 Ca 0.25 -0.01 0.10 0.00 1.00 0.00 0.00 62.75 64.09 3kc0 n ILE 126 Cb 0.64 0.65 0.56 0.00 -0.71 0.00 0.00 39.64 40.78 3kc0 n ILE 126 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3kc0 h ASP 127 N 0.12 0.00 -0.26 4.38 3.32 -1.89 -2.53 116.42 119.56 3kc0 h ASP 127 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3kc0 h ASP 127 Cb 0.51 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.06 3kc0 h ASP 127 CO 0.00 0.21 0.00 0.00 -1.72 0.00 0.00 179.24 177.73 3kc0 n LEU 129 N 0.87 -1.04 -4.76 0.00 4.77 -0.95 -4.99 117.00 110.89 3kc0 n LEU 129 Ca 0.17 0.25 -0.32 0.00 -0.03 0.00 0.00 56.01 56.09 3kc0 n LEU 129 Cb 0.46 -1.93 0.08 0.00 -2.33 0.00 0.00 43.42 39.71 3kc0 n LEU 129 CO 0.14 -0.56 0.71 0.54 -1.33 0.00 0.00 177.39 176.90 3kc0 s VAL 130 N -2.50 3.23 0.62 4.08 0.11 -1.26 -4.95 120.40 119.73 3kc0 s VAL 130 Ca 0.00 0.44 -0.19 0.00 -2.93 0.00 0.00 61.98 59.30 3kc0 s VAL 130 Cb 0.00 -2.91 -0.03 0.00 -1.53 0.00 0.00 36.38 31.91 3kc0 s VAL 130 CO 0.00 -0.48 1.22 -1.20 -3.33 0.00 0.00 175.10 171.31 3kc0 n SER 131 N -3.28 1.86 -4.17 3.54 7.64 -1.26 -4.88 113.62 113.06 3kc0 n SER 131 Ca 0.10 0.85 -0.11 0.00 1.01 0.00 0.00 58.87 60.72 3kc0 n SER 131 Cb 0.53 -1.52 -0.10 0.00 -1.01 0.00 0.00 64.21 62.11 3kc0 n SER 131 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 3kc0 s VAL 132 N -1.40 0.07 0.36 0.44 -7.23 -1.19 -4.76 120.40 106.69 3kc0 s VAL 132 Ca 0.79 -1.95 -0.16 0.00 -1.81 0.00 0.00 61.98 58.85 3kc0 s VAL 132 Cb -0.40 -2.25 0.06 0.00 0.56 0.00 0.00 36.38 34.36 3kc0 s VAL 132 CO 0.43 -0.26 0.82 0.61 -0.31 0.00 0.00 175.10 176.39 3kc0 n GLY 133 N -0.17 0.93 3.02 2.32 0.00 -1.07 0.04 105.19 110.26 3kc0 n GLY 133 Ca -0.02 -1.24 -0.29 0.00 0.00 0.00 0.00 46.02 44.47 3kc0 n GLY 133 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3kc0 s THR 134 N -2.10 1.45 -0.04 2.61 2.01 0.16 0.11 115.64 119.84 3kc0 s THR 134 Ca 0.17 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.58 3kc0 s THR 134 Cb -0.05 -1.36 -0.04 0.00 0.01 0.00 0.00 72.50 71.07 3kc0 s THR 134 CO 0.11 0.44 0.04 -0.63 -0.69 0.00 0.00 174.62 173.88 3kc0 s ILE 135 N 1.28 4.50 -0.02 1.82 1.01 -0.87 0.32 121.20 129.26 3kc0 s ILE 135 Ca -0.00 -0.35 -0.10 0.00 0.00 0.00 0.00 60.65 60.19 3kc0 s ILE 135 Cb -0.14 -2.98 0.01 0.00 0.01 0.00 0.00 42.46 39.36 3kc0 s ILE 135 CO -0.06 0.47 0.21 0.72 0.00 0.00 0.00 174.94 176.28 3kc0 s PHE 136 N -1.05 -0.08 -0.03 3.97 -0.12 0.05 -1.43 117.98 119.30 3kc0 s PHE 136 Ca 0.18 0.11 0.00 0.00 -0.05 0.00 0.00 56.93 57.18 3kc0 s PHE 136 Cb -0.12 0.02 0.03 0.00 -0.63 0.00 0.00 43.02 42.32 3kc0 s PHE 136 CO 0.08 -0.30 0.01 0.20 -0.05 0.00 0.00 175.22 175.15 3kc0 s GLY 137 N -1.16 0.21 -0.14 1.99 0.00 0.93 -1.59 107.32 107.56 3kc0 s GLY 137 Ca -0.12 0.19 0.01 0.00 0.00 0.00 0.00 44.72 44.79 3kc0 s GLY 137 CO 0.02 0.60 -0.16 -0.42 0.00 0.00 0.00 173.10 173.14 3kc0 s ILE 138 N 1.00 2.68 0.28 0.90 1.01 0.73 -0.86 121.20 126.93 3kc0 s ILE 138 Ca -0.10 -0.78 0.11 0.00 0.00 0.00 0.00 60.65 59.89 3kc0 s ILE 138 Cb -0.13 -2.11 -0.05 0.00 0.01 0.00 0.00 42.46 40.17 3kc0 s ILE 138 CO -0.02 0.52 -0.19 -0.31 0.00 0.00 0.00 174.94 174.95 3kc0 s TYR 139 N 0.60 2.24 -0.17 3.97 2.02 0.71 -0.38 117.35 126.34 3kc0 s TYR 139 Ca -0.09 -0.37 -0.09 0.00 -0.37 0.00 0.00 57.07 56.15 3kc0 s TYR 139 Cb -0.16 -1.00 -0.05 0.00 -0.40 0.00 0.00 41.96 40.36 3kc0 s TYR 139 CO 0.03 0.67 0.13 0.50 -1.57 0.00 0.00 175.55 175.32 3kc0 s ARG 140 N -3.53 3.91 0.09 -0.62 3.52 -1.26 0.34 118.95 121.40 3kc0 s ARG 140 Ca 0.29 -0.18 -0.31 0.00 -0.13 0.00 0.00 55.73 55.40 3kc0 s ARG 140 Cb -0.04 -3.34 -0.09 0.00 -1.56 0.00 0.00 34.95 29.92 3kc0 s ARG 140 CO 0.14 0.48 1.83 0.21 -0.81 0.00 0.00 175.30 177.14 3kc0 s LYS 141 N -0.15 4.15 -0.49 5.12 2.20 0.13 -4.81 119.74 125.88 3kc0 s LYS 141 Ca 0.11 2.54 0.03 0.00 -0.36 0.00 0.00 55.97 58.29 3kc0 s LYS 141 Cb -0.11 -3.74 0.43 0.00 -1.51 0.00 0.00 37.83 32.89 3kc0 s LYS 141 CO 0.00 -0.85 1.43 1.63 -0.36 0.00 0.00 175.35 177.20 3kc0 n LYS 142 N 6.15 3.27 -3.97 4.03 4.01 -1.26 -4.99 118.16 125.39 3kc0 n LYS 142 Ca 0.18 -4.05 -0.08 0.00 -0.51 0.00 0.00 58.31 53.85 3kc0 n LYS 142 Cb 0.39 -2.27 -0.08 0.00 -0.51 0.00 0.00 35.03 32.56 3kc0 n LYS 142 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3kc0 s SER 143 N -2.90 0.26 0.00 4.39 0.15 -1.26 -5.04 113.70 109.30 3kc0 s SER 143 Ca 0.52 -0.84 0.17 0.00 0.70 0.00 0.00 55.95 56.50 3kc0 s SER 143 Cb 0.43 0.29 0.12 0.00 -1.71 0.00 0.00 66.02 65.15 3kc0 s SER 143 CO -0.12 -0.70 1.03 0.35 1.20 0.00 0.00 173.24 175.00 3kc0 n THR 144 N -0.02 0.00 -2.29 6.45 -2.24 -1.26 -5.01 114.28 109.91 3kc0 n THR 144 Ca -0.13 -0.48 -0.25 0.00 -2.27 0.00 0.00 64.05 60.92 3kc0 n THR 144 Cb 0.62 1.34 0.06 0.00 -2.10 0.00 0.00 70.33 70.26 3kc0 n THR 144 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3kc0 s ASP 145 N -1.49 4.87 0.29 3.42 -0.00 -1.26 -5.02 116.67 117.47 3kc0 s ASP 145 Ca 0.20 0.34 -0.30 0.00 -0.00 0.00 0.00 52.55 52.78 3kc0 s ASP 145 Cb 0.14 -1.02 -0.12 0.00 -0.00 0.00 0.00 42.92 41.93 3kc0 s ASP 145 CO 0.24 -1.53 1.59 1.21 -0.00 0.00 0.00 175.17 176.67 3kc0 n GLU 146 N -2.82 2.66 -1.66 8.23 4.07 -1.26 -4.86 120.64 124.99 3kc0 n GLU 146 Ca 0.08 0.95 -0.44 0.00 -0.06 0.00 0.00 57.16 57.69 3kc0 n GLU 146 Cb 0.60 -2.72 -0.02 0.00 -0.06 0.00 0.00 31.44 29.24 3kc0 n GLU 146 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 3kc0 n PRO 147 N 2.23 1.93 -3.92 5.31 -0.04 -1.26 -4.98 135.00 134.27 3kc0 n PRO 147 Ca 0.09 0.68 -0.09 0.00 -0.04 0.00 0.00 63.50 64.14 3kc0 n PRO 147 Cb 0.36 -2.26 -0.02 0.00 -0.04 0.00 0.00 33.50 31.54 3kc0 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3kc0 s SER 148 N -0.08 -0.00 0.55 3.54 1.04 -1.26 -4.98 113.70 112.51 3kc0 s SER 148 Ca 0.62 -0.94 0.28 0.00 0.48 0.00 0.00 55.95 56.39 3kc0 s SER 148 Cb -0.64 0.71 1.46 0.00 0.10 0.00 0.00 66.02 67.65 3kc0 s SER 148 CO 0.56 -1.36 1.96 -0.08 0.98 0.00 0.00 173.24 175.29 3kc0 h GLU 149 N 2.09 0.00 -0.24 4.02 4.81 -1.93 -0.88 114.58 122.44 3kc0 h GLU 149 Ca -0.25 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.04 3kc0 h GLU 149 Cb 1.25 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 3kc0 h GLU 149 CO 0.33 0.00 0.17 -0.22 -0.73 0.00 0.00 179.01 178.56 3kc0 h LYS 150 N 0.00 0.05 0.00 1.92 3.11 -1.96 -1.63 116.57 118.05 3kc0 h LYS 150 Ca 0.26 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 58.10 3kc0 h LYS 150 Cb 1.15 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 32.37 3kc0 h LYS 150 CO -0.00 0.03 0.00 -0.25 -2.81 0.00 0.00 179.45 176.42 3kc0 n ASP 151 N -4.48 0.00 -0.36 4.20 8.00 -0.34 -1.98 116.55 121.61 3kc0 n ASP 151 Ca 0.03 0.01 0.11 0.00 0.71 0.00 0.00 54.79 55.65 3kc0 n ASP 151 Cb 0.29 -0.30 0.03 0.00 -0.02 0.00 0.00 41.12 41.12 3kc0 n ASP 151 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3kc0 n ALA 152 N -1.30 3.74 -1.95 2.24 0.00 -0.61 -4.58 120.51 118.05 3kc0 n ALA 152 Ca 0.10 -0.60 -0.39 0.00 0.00 0.00 0.00 53.44 52.55 3kc0 n ALA 152 Cb 0.18 -0.84 -0.01 0.00 0.00 0.00 0.00 19.45 18.78 3kc0 n ALA 152 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3kc0 n LEU 153 N -0.43 7.94 -4.48 0.00 4.77 -0.84 -4.93 117.00 119.04 3kc0 n LEU 153 Ca 0.08 -4.82 -0.30 0.00 -0.03 0.00 0.00 56.01 50.95 3kc0 n LEU 153 Cb 0.42 -1.35 -0.12 0.00 -2.33 0.00 0.00 43.42 40.04 3kc0 n LEU 153 CO 0.31 2.04 -0.50 -1.10 -1.33 0.00 0.00 177.39 176.81 3kc0 s GLN 154 N -1.18 1.79 0.37 3.23 -0.21 -1.26 -4.64 119.66 117.76 3kc0 s GLN 154 Ca 0.55 -1.17 -0.27 0.00 0.02 0.00 0.00 55.36 54.49 3kc0 s GLN 154 Cb 0.20 -2.10 -0.09 0.00 1.00 0.00 0.00 33.01 32.01 3kc0 s GLN 154 CO -0.10 0.49 1.26 -1.25 -2.12 0.00 0.00 175.29 173.56 3kc0 s PRO 155 N -2.04 4.17 0.57 2.91 0.04 -1.26 -4.66 135.00 134.73 3kc0 s PRO 155 Ca 0.17 2.08 0.35 0.00 0.04 0.00 0.00 61.00 63.64 3kc0 s PRO 155 Cb -0.11 -2.87 1.42 0.00 0.04 0.00 0.00 34.50 32.98 3kc0 s PRO 155 CO 0.09 -0.30 1.65 0.78 0.04 0.00 0.00 177.00 179.27 3kc0 h GLY 156 N 2.98 0.00 1.65 0.56 0.00 -1.56 0.36 103.07 107.07 3kc0 h GLY 156 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3kc0 h GLY 156 CO 0.64 0.00 0.17 -0.09 0.00 0.00 0.00 176.54 177.26 3kc0 h ARG 157 N 0.00 0.00 -0.01 4.80 9.65 -1.29 -0.31 114.38 127.22 3kc0 h ARG 157 Ca 0.54 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.42 3kc0 h ARG 157 Cb 2.49 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 31.07 3kc0 h ARG 157 CO -0.01 0.00 -0.18 0.09 2.80 0.00 0.00 179.97 182.68 3kc0 n ASN 158 N -2.95 0.90 -4.64 -3.80 3.02 0.13 -4.96 115.26 102.97 3kc0 n ASN 158 Ca -0.02 -0.87 -0.46 0.00 -0.03 0.00 0.00 54.58 53.20 3kc0 n ASN 158 Cb 0.23 0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.42 3kc0 n ASN 158 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3kc0 n LEU 159 N -0.64 2.56 -0.04 3.41 4.77 -0.13 -4.64 117.00 122.29 3kc0 n LEU 159 Ca 0.14 1.15 -0.05 0.00 -0.03 0.00 0.00 56.01 57.22 3kc0 n LEU 159 Cb 0.32 -1.36 -0.14 0.00 -2.33 0.00 0.00 43.42 39.92 3kc0 n LEU 159 CO 0.24 -0.80 -0.75 0.52 -1.33 0.00 0.00 177.39 175.27 3kc0 n VAL 160 N 1.55 1.24 -3.53 4.08 0.31 0.48 -4.94 118.33 117.51 3kc0 n VAL 160 Ca 0.12 -0.76 -0.10 0.00 -0.01 0.00 0.00 64.34 63.59 3kc0 n VAL 160 Cb 0.30 -0.62 -0.04 0.00 -0.91 0.00 0.00 33.84 32.57 3kc0 n VAL 160 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3kc0 s ALA 161 N -2.74 -1.87 -0.06 3.52 0.00 -1.17 -4.28 121.76 115.17 3kc0 s ALA 161 Ca -0.07 1.27 -0.31 0.00 0.00 0.00 0.00 51.96 52.86 3kc0 s ALA 161 Cb 0.08 -0.07 0.11 0.00 0.00 0.00 0.00 23.12 23.25 3kc0 s ALA 161 CO 0.83 -0.51 1.03 0.00 0.00 0.00 0.00 175.76 177.11 3kc0 s ALA 162 N -2.18 -1.92 0.00 0.00 0.00 -0.35 -0.20 121.76 117.11 3kc0 s ALA 162 Ca 0.01 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.11 3kc0 s ALA 162 Cb -0.01 0.24 0.00 0.00 0.00 0.00 0.00 23.12 23.35 3kc0 s ALA 162 CO -0.03 -0.71 0.00 0.41 0.00 0.00 0.00 175.76 175.43 3kc0 n GLY 163 N -0.22 -0.90 3.52 0.00 0.00 -0.62 -0.17 105.19 106.80 3kc0 n GLY 163 Ca -0.05 -1.00 -0.09 0.00 0.00 0.00 0.00 46.02 44.88 3kc0 n GLY 163 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3kc0 s TYR 164 N -3.00 0.02 -0.15 1.61 -0.85 -0.64 -0.77 117.35 113.58 3kc0 s TYR 164 Ca 0.00 -0.38 0.01 0.00 -0.52 0.00 0.00 57.07 56.19 3kc0 s TYR 164 Cb 0.00 0.31 0.00 0.00 0.38 0.00 0.00 41.96 42.66 3kc0 s TYR 164 CO 0.00 -0.91 -0.18 0.00 -1.52 0.00 0.00 175.55 172.93 3kc0 s ALA 165 N -3.91 2.38 -0.24 9.51 0.00 0.15 -0.29 121.76 129.36 3kc0 s ALA 165 Ca 0.12 -1.07 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3kc0 s ALA 165 Cb -0.01 -1.11 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3kc0 s ALA 165 CO -0.00 -0.03 0.12 -1.17 0.00 0.00 0.00 175.76 174.68 3kc0 s LEU 166 N 0.81 3.82 -1.04 0.00 2.96 0.25 -0.66 118.68 124.82 3kc0 s LEU 166 Ca -0.06 -0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 53.78 3kc0 s LEU 166 Cb -0.15 -2.03 0.29 0.00 0.50 0.00 0.00 46.19 44.80 3kc0 s LEU 166 CO -0.01 0.02 1.28 -1.22 -1.32 0.00 0.00 176.35 175.10 3kc0 n TYR 167 N 4.58 3.28 0.00 5.38 4.01 0.11 -1.17 117.16 133.35 3kc0 n TYR 167 Ca -0.15 -3.16 0.00 0.00 -0.16 0.00 0.00 57.90 54.43 3kc0 n TYR 167 Cb 0.52 -1.31 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 3kc0 n TYR 167 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc0 n GLY 168 N 1.70 2.17 0.30 2.72 0.00 -1.26 -3.18 105.19 107.64 3kc0 n GLY 168 Ca 0.25 -1.07 0.08 0.00 0.00 0.00 0.00 46.02 45.29 3kc0 n GLY 168 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3kc0 h SER 169 N 0.00 0.22 -5.00 1.61 4.64 -1.99 -3.42 113.55 109.61 3kc0 h SER 169 Ca 0.00 -0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 3kc0 h SER 169 Cb 0.00 -0.05 -0.15 0.00 -0.31 0.00 0.00 62.40 61.89 3kc0 h SER 169 CO 0.00 0.15 -0.68 0.00 -0.87 0.00 0.00 176.83 175.44 3kc0 s ALA 170 N -5.26 0.81 -0.22 5.18 0.00 -1.26 -5.14 121.76 115.87 3kc0 s ALA 170 Ca -0.07 -1.34 -0.12 0.00 0.00 0.00 0.00 51.96 50.43 3kc0 s ALA 170 Cb 0.18 0.38 -0.05 0.00 0.00 0.00 0.00 23.12 23.63 3kc0 s ALA 170 CO 0.71 -0.35 0.20 0.99 0.00 0.00 0.00 175.76 177.32 3kc0 s THR 171 N -3.83 5.34 0.03 0.00 2.01 -1.26 -4.51 115.64 113.43 3kc0 s THR 171 Ca 0.14 0.30 0.04 0.00 0.31 0.00 0.00 61.69 62.48 3kc0 s THR 171 Cb 0.07 -3.54 -0.02 0.00 0.01 0.00 0.00 72.50 69.02 3kc0 s THR 171 CO -0.05 0.35 -0.13 -0.32 -0.69 0.00 0.00 174.62 173.79 3kc0 s MET 172 N 0.89 0.85 -0.22 4.92 -2.45 -0.32 -0.87 119.30 122.11 3kc0 s MET 172 Ca 0.10 -0.70 -0.01 0.00 -1.25 0.00 0.00 55.69 53.84 3kc0 s MET 172 Cb -0.13 -0.83 0.02 0.00 1.25 0.00 0.00 34.83 35.14 3kc0 s MET 172 CO 0.04 0.21 -0.10 -1.17 1.05 0.00 0.00 175.02 175.04 3kc0 s LEU 173 N -1.06 2.82 -0.27 4.11 0.20 -0.16 0.87 118.68 125.19 3kc0 s LEU 173 Ca 0.01 -0.74 -0.12 0.00 0.69 0.00 0.00 54.13 53.96 3kc0 s LEU 173 Cb -0.07 -1.61 -0.05 0.00 -0.43 0.00 0.00 46.19 44.03 3kc0 s LEU 173 CO 0.01 -0.07 0.25 -0.69 -0.29 0.00 0.00 176.35 175.56 3kc0 s VAL 174 N 1.33 5.27 -0.18 1.68 1.01 0.61 -1.60 120.40 128.51 3kc0 s VAL 174 Ca 0.02 0.30 -0.01 0.00 0.00 0.00 0.00 61.98 62.30 3kc0 s VAL 174 Cb -0.15 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.65 3kc0 s VAL 174 CO -0.07 0.23 -0.14 -0.22 0.00 0.00 0.00 175.10 174.90 3kc0 s LEU 175 N 1.82 2.46 -0.13 3.92 2.96 -0.32 -1.62 118.68 127.77 3kc0 s LEU 175 Ca 0.10 -0.51 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3kc0 s LEU 175 Cb -0.16 -1.58 -0.01 0.00 0.50 0.00 0.00 46.19 44.94 3kc0 s LEU 175 CO 0.10 0.02 -0.16 0.00 -1.32 0.00 0.00 176.35 175.00 3kc0 s ALA 176 N 1.17 2.48 0.37 5.97 0.00 0.77 -1.09 121.76 131.44 3kc0 s ALA 176 Ca 0.02 -0.95 0.07 0.00 0.00 0.00 0.00 51.96 51.09 3kc0 s ALA 176 Cb -0.14 -1.13 -0.02 0.00 0.00 0.00 0.00 23.12 21.83 3kc0 s ALA 176 CO -0.06 0.18 0.24 -1.33 0.00 0.00 0.00 175.76 174.79 3kc0 n MET 177 N 3.67 0.47 -0.05 0.00 2.81 -0.38 -1.21 117.12 122.43 3kc0 n MET 177 Ca -0.19 -3.49 0.20 0.00 -1.81 0.00 0.00 57.70 52.41 3kc0 n MET 177 Cb 0.52 2.49 0.65 0.00 -0.71 0.00 0.00 33.22 36.18 3kc0 n MET 177 CO 0.00 0.00 0.00 0.22 1.51 0.00 0.00 175.97 177.70 3kc0 h ASP 178 N 1.95 0.08 0.05 7.83 1.82 -1.93 -0.18 116.42 126.04 3kc0 h ASP 178 Ca -0.27 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.37 3kc0 h ASP 178 Cb 1.25 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.24 3kc0 h ASP 178 CO 0.42 0.04 -0.00 0.00 -1.61 0.00 0.00 179.24 178.09 3kc0 n GLY 180 N 1.05 0.51 3.40 0.00 0.00 -0.08 -4.96 105.19 105.12 3kc0 n GLY 180 Ca 0.22 -2.16 -0.33 0.00 0.00 0.00 0.00 46.02 43.75 3kc0 n GLY 180 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3kc0 s VAL 181 N -0.75 3.06 -0.01 1.61 1.01 -1.26 -1.25 120.40 122.79 3kc0 s VAL 181 Ca 0.00 -0.68 0.04 0.00 0.00 0.00 0.00 61.98 61.34 3kc0 s VAL 181 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 36.38 34.11 3kc0 s VAL 181 CO 0.00 0.54 -0.12 0.20 0.00 0.00 0.00 175.10 175.73 3kc0 s ASN 182 N 0.05 1.39 -0.12 3.32 -0.87 -0.25 -0.46 114.94 118.00 3kc0 s ASN 182 Ca -0.05 -0.21 -0.01 0.00 -1.57 0.00 0.00 52.86 51.01 3kc0 s ASN 182 Cb -0.14 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.25 40.88 3kc0 s ASN 182 CO 0.04 0.14 -0.07 0.00 -2.57 0.00 0.00 177.10 174.65 3kc0 s PHE 184 N -0.08 2.30 -0.11 0.00 0.08 -0.63 -1.04 117.98 118.51 3kc0 s PHE 184 Ca 0.01 -0.85 -0.13 0.00 0.12 0.00 0.00 56.93 56.08 3kc0 s PHE 184 Cb -0.13 -1.54 -0.05 0.00 -0.57 0.00 0.00 43.02 40.73 3kc0 s PHE 184 CO 0.03 -0.33 0.31 1.41 -0.10 0.00 0.00 175.22 176.54 3kc0 s MET 185 N 0.23 4.02 -0.33 0.44 -2.45 0.74 -0.99 119.30 120.96 3kc0 s MET 185 Ca -0.13 0.16 -0.25 0.00 -1.25 0.00 0.00 55.69 54.22 3kc0 s MET 185 Cb -0.16 -3.33 0.01 0.00 1.25 0.00 0.00 34.83 32.60 3kc0 s MET 185 CO 0.06 0.46 0.86 -1.17 1.05 0.00 0.00 175.02 176.28 3kc0 s LEU 186 N -0.23 4.06 -0.62 4.11 2.96 -0.05 0.36 118.68 129.27 3kc0 s LEU 186 Ca 0.19 0.64 -0.22 0.00 -0.22 0.00 0.00 54.13 54.52 3kc0 s LEU 186 Cb -0.14 -3.17 0.07 0.00 0.50 0.00 0.00 46.19 43.45 3kc0 s LEU 186 CO 0.07 -0.72 0.91 -0.62 -1.32 0.00 0.00 176.35 174.67 3kc0 s ASP 187 N 1.71 6.21 0.58 3.68 -1.08 -0.04 -4.67 116.67 123.07 3kc0 s ASP 187 Ca 0.35 -0.89 0.27 0.00 -0.52 0.00 0.00 52.55 51.76 3kc0 s ASP 187 Cb -0.13 -2.40 1.60 0.00 -1.46 0.00 0.00 42.92 40.53 3kc0 s ASP 187 CO 0.15 -1.33 2.09 1.55 0.52 0.00 0.00 175.17 178.15 3kc0 h PRO 188 N 9.44 0.00 -0.19 4.34 0.13 -1.94 0.14 132.00 143.92 3kc0 h PRO 188 Ca -0.28 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.81 3kc0 h PRO 188 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3kc0 h PRO 188 CO 1.14 0.00 -0.03 0.00 -0.23 0.00 0.00 178.00 178.88 3kc0 h ALA 189 N 1.78 1.60 0.00 -0.56 0.00 -1.97 -3.27 119.26 116.85 3kc0 h ALA 189 Ca 0.10 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.86 3kc0 h ALA 189 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kc0 h ALA 189 CO -0.00 0.29 0.00 0.44 0.00 0.00 0.00 179.25 179.98 3kc0 n ILE 190 N -4.35 0.44 -3.76 0.00 -5.35 -0.82 -5.02 119.36 100.50 3kc0 n ILE 190 Ca -0.00 -0.52 -0.22 0.00 -0.27 0.00 0.00 62.75 61.74 3kc0 n ILE 190 Cb 0.20 0.88 0.02 0.00 -1.74 0.00 0.00 39.64 39.00 3kc0 n ILE 190 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kc0 n GLY 191 N -0.22 -0.27 3.05 3.28 0.00 0.44 -4.99 105.19 106.47 3kc0 n GLY 191 Ca 0.00 0.13 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 3kc0 n GLY 191 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3kc0 s GLU 192 N -6.12 1.22 -0.45 1.61 0.41 -1.18 -4.96 118.70 109.22 3kc0 s GLU 192 Ca 0.01 -0.41 -0.24 0.00 -0.41 0.00 0.00 54.97 53.93 3kc0 s GLU 192 Cb -0.01 -1.11 0.03 0.00 -1.78 0.00 0.00 34.13 31.26 3kc0 s GLU 192 CO 0.83 0.16 0.82 -0.06 -0.49 0.00 0.00 175.26 176.52 3kc0 s PHE 193 N 0.13 2.98 -0.21 1.61 0.08 -1.26 -0.86 117.98 120.45 3kc0 s PHE 193 Ca -0.03 0.23 -0.17 0.00 0.12 0.00 0.00 56.93 57.08 3kc0 s PHE 193 Cb -0.09 -3.74 -0.04 0.00 -0.57 0.00 0.00 43.02 38.58 3kc0 s PHE 193 CO 0.01 -1.01 0.44 0.42 -0.10 0.00 0.00 175.22 174.98 3kc0 s ILE 194 N 3.40 5.16 -0.07 0.64 -1.09 0.16 -0.47 121.20 128.93 3kc0 s ILE 194 Ca 0.32 0.78 -0.29 0.00 -2.23 0.00 0.00 60.65 59.22 3kc0 s ILE 194 Cb -0.12 -3.77 -0.06 0.00 -1.58 0.00 0.00 42.46 36.94 3kc0 s ILE 194 CO 0.23 0.21 1.83 -0.22 -1.23 0.00 0.00 174.94 175.77 3kc0 s LEU 195 N 1.51 4.17 0.00 2.97 2.96 -0.07 -0.18 118.68 130.04 3kc0 s LEU 195 Ca 0.20 2.23 0.00 0.00 -0.22 0.00 0.00 54.13 56.35 3kc0 s LEU 195 Cb -0.15 -3.53 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3kc0 s LEU 195 CO 0.09 -1.16 0.43 1.33 -1.32 0.00 0.00 176.35 175.71 3kc0 n VAL 196 N 5.97 0.06 -3.27 1.68 0.24 -0.21 -4.76 118.33 118.04 3kc0 n VAL 196 Ca 0.20 -0.42 -0.05 0.00 -2.04 0.00 0.00 64.34 62.03 3kc0 n VAL 196 Cb 0.43 1.17 -0.05 0.00 -1.47 0.00 0.00 33.84 33.92 3kc0 n VAL 196 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 3kc0 s ASP 197 N -0.06 -0.30 0.10 -1.34 1.01 -1.10 -4.98 116.67 110.00 3kc0 s ASP 197 Ca 0.00 0.19 -0.12 0.00 0.71 0.00 0.00 52.55 53.33 3kc0 s ASP 197 Cb 0.00 1.45 -0.06 0.00 1.01 0.00 0.00 42.92 45.32 3kc0 s ASP 197 CO 0.00 -0.31 0.45 -0.54 0.21 0.00 0.00 175.17 174.98 3kc0 s LYS 198 N 2.65 3.84 -0.95 8.23 1.02 -1.26 -1.08 119.74 132.19 3kc0 s LYS 198 Ca 0.13 0.29 -0.26 0.00 0.02 0.00 0.00 55.97 56.16 3kc0 s LYS 198 Cb -0.14 -2.99 0.04 0.00 -0.52 0.00 0.00 37.83 34.22 3kc0 s LYS 198 CO -0.22 0.54 0.49 -3.47 -0.92 0.00 0.00 175.35 171.76 3kc0 n ASP 199 N 0.91 -2.88 -4.76 2.83 2.03 -0.94 -4.84 116.55 108.89 3kc0 n ASP 199 Ca -0.07 -1.01 -0.39 0.00 0.52 0.00 0.00 54.79 53.84 3kc0 n ASP 199 Cb 0.52 -1.21 0.01 0.00 -0.72 0.00 0.00 41.12 39.72 3kc0 n ASP 199 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 3kc0 s VAL 200 N -3.89 2.37 -0.04 5.18 1.01 0.39 -4.85 120.40 120.58 3kc0 s VAL 200 Ca 0.36 0.32 0.01 0.00 0.00 0.00 0.00 61.98 62.66 3kc0 s VAL 200 Cb -0.20 -3.18 0.02 0.00 0.00 0.00 0.00 36.38 33.02 3kc0 s VAL 200 CO 0.75 0.04 -0.03 -0.54 0.00 0.00 0.00 175.10 175.32 3kc0 s LYS 201 N -2.45 0.67 0.58 2.72 -0.14 -1.26 -4.46 119.74 115.40 3kc0 s LYS 201 Ca 0.61 -0.05 -0.17 0.00 -1.36 0.00 0.00 55.97 55.00 3kc0 s LYS 201 Cb -0.40 -0.74 -0.04 0.00 -1.68 0.00 0.00 37.83 34.98 3kc0 s LYS 201 CO 0.50 -0.10 1.09 -1.50 -0.76 0.00 0.00 175.35 174.59 3kc0 s ILE 202 N 0.97 3.41 0.55 2.17 2.07 0.85 -4.98 121.20 126.25 3kc0 s ILE 202 Ca -0.10 0.76 -0.21 0.00 -1.41 0.00 0.00 60.65 59.69 3kc0 s ILE 202 Cb -0.14 -3.27 -0.05 0.00 0.13 0.00 0.00 42.46 39.13 3kc0 s ILE 202 CO -0.01 -0.30 1.29 -0.54 -1.91 0.00 0.00 174.94 173.47 3kc0 s LYS 203 N -3.70 3.15 0.40 3.50 1.02 -1.26 -4.89 119.74 117.96 3kc0 s LYS 203 Ca 0.68 2.06 0.06 0.00 0.02 0.00 0.00 55.97 58.79 3kc0 s LYS 203 Cb -0.20 -2.17 0.82 0.00 -0.52 0.00 0.00 37.83 35.76 3kc0 s LYS 203 CO 0.33 -1.13 2.04 -0.22 -0.92 0.00 0.00 175.35 175.45 3kc0 h LYS 204 N 1.35 0.57 -2.74 1.68 3.64 -1.94 -3.39 116.57 115.74 3kc0 h LYS 204 Ca -0.51 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 58.72 3kc0 h LYS 204 Cb 1.29 -0.13 -0.23 0.00 -0.41 0.00 0.00 32.23 32.76 3kc0 h LYS 204 CO 0.57 0.39 -0.21 0.21 -2.27 0.00 0.00 179.45 178.13 3kc0 s LYS 205 N -5.48 0.54 0.00 1.90 2.20 -1.26 -1.60 119.74 116.04 3kc0 s LYS 205 Ca -0.08 0.46 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 3kc0 s LYS 205 Cb 0.17 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.75 3kc0 s LYS 205 CO 0.74 -0.09 0.00 0.41 -0.36 0.00 0.00 175.35 176.05 3kc0 n GLY 206 N 2.54 3.98 0.32 5.54 0.00 -1.26 -4.71 105.19 111.60 3kc0 n GLY 206 Ca -0.15 -2.16 0.03 0.00 0.00 0.00 0.00 46.02 43.74 3kc0 n GLY 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kc0 n LYS 207 N -0.24 0.45 -4.52 1.61 5.02 -1.26 -4.76 118.16 114.47 3kc0 n LYS 207 Ca 0.00 -1.38 -0.22 0.00 -2.02 0.00 0.00 58.31 54.69 3kc0 n LYS 207 Cb 0.00 -0.78 -0.16 0.00 -0.02 0.00 0.00 35.03 34.07 3kc0 n LYS 207 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3kc0 s ILE 208 N -0.78 0.98 -0.03 -0.18 1.01 -1.26 0.68 121.20 121.63 3kc0 s ILE 208 Ca 0.08 -0.45 0.07 0.00 0.00 0.00 0.00 60.65 60.35 3kc0 s ILE 208 Cb 0.07 -0.88 -0.02 0.00 0.01 0.00 0.00 42.46 41.64 3kc0 s ILE 208 CO 0.01 0.30 -0.23 -0.72 0.00 0.00 0.00 174.94 174.30 3kc0 s TYR 209 N 0.30 2.44 -0.09 3.97 1.13 -0.26 -1.29 117.35 123.55 3kc0 s TYR 209 Ca -0.06 -0.38 -0.00 0.00 -1.41 0.00 0.00 57.07 55.22 3kc0 s TYR 209 Cb -0.11 -1.54 0.02 0.00 -1.10 0.00 0.00 41.96 39.23 3kc0 s TYR 209 CO 0.01 0.01 -0.06 0.45 -2.51 0.00 0.00 175.55 173.46 3kc0 s SER 210 N -0.62 1.83 -0.24 -0.18 0.15 0.11 -2.50 113.70 112.25 3kc0 s SER 210 Ca 0.10 -0.23 -0.32 0.00 0.70 0.00 0.00 55.95 56.20 3kc0 s SER 210 Cb -0.10 -0.69 0.16 0.00 -1.71 0.00 0.00 66.02 63.68 3kc0 s SER 210 CO -0.00 -0.11 1.26 -1.48 1.20 0.00 0.00 173.24 174.10 3kc0 s LEU 211 N 1.56 -0.12 -0.71 3.45 2.34 -1.26 -0.39 118.68 123.55 3kc0 s LEU 211 Ca 0.01 0.08 -0.27 0.00 0.06 0.00 0.00 54.13 54.01 3kc0 s LEU 211 Cb -0.13 1.30 0.01 0.00 -0.56 0.00 0.00 46.19 46.81 3kc0 s LEU 211 CO -0.05 -0.14 1.49 0.21 -1.06 0.00 0.00 176.35 176.80 3kc0 s ASN 212 N -1.52 5.85 0.00 1.48 2.47 -1.26 -4.83 114.94 117.13 3kc0 s ASN 212 Ca 0.08 -0.21 0.17 0.00 0.42 0.00 0.00 52.86 53.31 3kc0 s ASN 212 Cb -0.01 -2.55 0.88 0.00 -1.45 0.00 0.00 41.25 38.12 3kc0 s ASN 212 CO -0.05 -2.03 1.46 -0.62 -3.72 0.00 0.00 177.10 172.14 3kc0 n GLU 213 N 9.30 0.31 0.26 0.43 1.02 -1.26 -2.76 120.64 127.94 3kc0 n GLU 213 Ca 0.10 0.10 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 3kc0 n GLU 213 Cb 0.50 -1.50 0.73 0.00 -0.02 0.00 0.00 31.44 31.15 3kc0 n GLU 213 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 3kc0 h GLY 214 N 2.69 0.00 -1.06 0.62 0.00 -2.06 -0.78 103.07 102.48 3kc0 h GLY 214 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3kc0 h GLY 214 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 176.54 174.82 3kc0 n TYR 215 N -3.73 0.38 -0.29 5.60 0.53 -1.11 -4.35 117.16 114.19 3kc0 n TYR 215 Ca -0.02 -0.16 0.10 0.00 -1.02 0.00 0.00 57.90 56.80 3kc0 n TYR 215 Cb 0.22 -0.06 0.24 0.00 -1.03 0.00 0.00 39.34 38.71 3kc0 n TYR 215 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3kc0 h ALA 216 N 3.19 1.07 -0.34 -0.72 0.00 -1.36 0.22 119.26 121.32 3kc0 h ALA 216 Ca 0.00 0.24 0.10 0.00 0.00 0.00 0.00 54.91 55.25 3kc0 h ALA 216 Cb 0.47 0.39 -0.01 0.00 0.00 0.00 0.00 17.79 18.63 3kc0 h ALA 216 CO 0.04 -0.46 0.25 -0.22 0.00 0.00 0.00 179.25 178.86 3kc0 h LYS 217 N 0.15 0.00 -0.20 0.00 3.64 -1.84 -2.21 116.57 116.10 3kc0 h LYS 217 Ca 0.50 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.88 3kc0 h LYS 217 Cb 0.97 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.79 3kc0 h LYS 217 CO -0.69 0.00 0.00 -0.25 -2.27 0.00 0.00 179.45 176.24 3kc0 n ASP 218 N -4.36 2.76 -4.70 4.20 8.00 0.73 -5.03 116.55 118.16 3kc0 n ASP 218 Ca 0.05 -1.81 -0.37 0.00 0.71 0.00 0.00 54.79 53.37 3kc0 n ASP 218 Cb 0.42 -0.13 0.07 0.00 -0.02 0.00 0.00 41.12 41.47 3kc0 n ASP 218 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3kc0 n PHE 219 N 0.98 1.63 -2.56 1.24 3.72 -0.83 -3.22 117.46 118.42 3kc0 n PHE 219 Ca 0.13 0.42 -0.40 0.00 -0.05 0.00 0.00 57.45 57.54 3kc0 n PHE 219 Cb 0.46 -2.23 -0.05 0.00 -0.94 0.00 0.00 39.48 36.72 3kc0 n PHE 219 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 3kc0 s ASP 220 N -1.36 7.37 0.37 4.37 3.68 -1.26 -4.84 116.67 125.00 3kc0 s ASP 220 Ca 0.81 2.12 0.19 0.00 2.13 0.00 0.00 52.55 57.81 3kc0 s ASP 220 Cb -0.39 -2.61 1.21 0.00 -1.45 0.00 0.00 42.92 39.67 3kc0 s ASP 220 CO 0.42 -0.09 1.65 -0.65 0.13 0.00 0.00 175.17 176.63 3kc0 h PRO 221 N 4.33 0.22 -0.12 4.34 0.11 -1.98 0.13 132.00 139.03 3kc0 h PRO 221 Ca -0.45 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.64 3kc0 h PRO 221 Cb 1.21 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 3kc0 h PRO 221 CO 0.69 0.14 0.08 0.00 -0.21 0.00 0.00 178.00 178.70 3kc0 h ALA 222 N 1.81 0.15 -0.38 -0.75 0.00 -1.91 -0.02 119.26 118.17 3kc0 h ALA 222 Ca 0.76 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.65 3kc0 h ALA 222 Cb 1.95 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.67 3kc0 h ALA 222 CO -0.58 -0.35 0.22 0.28 0.00 0.00 0.00 179.25 178.83 3kc0 h VAL 223 N 0.14 1.13 -0.59 0.00 2.07 -1.16 -0.75 116.25 117.09 3kc0 h VAL 223 Ca 0.04 -0.30 0.05 0.00 0.82 0.00 0.00 66.70 67.31 3kc0 h VAL 223 Cb 0.01 0.65 -0.05 0.00 -1.52 0.00 0.00 31.29 30.38 3kc0 h VAL 223 CO -0.01 0.13 0.32 0.74 0.02 0.00 0.00 177.57 178.77 3kc0 h THR 224 N 0.49 0.98 -0.31 2.57 2.02 -0.91 -1.04 112.91 116.70 3kc0 h THR 224 Ca 0.13 -0.21 -0.03 0.00 0.77 0.00 0.00 66.41 67.07 3kc0 h THR 224 Cb 0.01 0.31 -0.01 0.00 -1.74 0.00 0.00 68.15 66.72 3kc0 h THR 224 CO -0.02 0.11 0.08 -0.08 0.37 0.00 0.00 175.52 175.98 3kc0 h GLU 225 N 0.61 0.50 0.04 6.66 4.81 -0.72 -1.86 114.58 124.62 3kc0 h GLU 225 Ca 0.26 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3kc0 h GLU 225 Cb 0.14 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.44 3kc0 h GLU 225 CO -0.16 0.56 -0.08 -0.92 -0.73 0.00 0.00 179.01 177.68 3kc0 h TYR 226 N 0.35 -0.20 -0.97 0.92 3.20 -0.71 -0.35 116.97 119.21 3kc0 h TYR 226 Ca 0.10 0.00 0.07 0.00 3.14 0.00 0.00 58.73 62.04 3kc0 h TYR 226 Cb 0.28 0.08 -0.06 0.00 1.54 0.00 0.00 36.73 38.57 3kc0 h TYR 226 CO 0.01 -0.12 0.63 0.82 -1.64 0.00 0.00 178.16 177.85 3kc0 h ILE 227 N -0.16 1.07 -0.80 1.81 1.08 -1.18 0.02 117.51 119.36 3kc0 h ILE 227 Ca 0.02 -0.38 -0.00 0.00 -0.39 0.00 0.00 64.86 64.10 3kc0 h ILE 227 Cb 0.18 -0.14 -0.04 0.00 -3.07 0.00 0.00 36.82 33.75 3kc0 h ILE 227 CO -0.05 0.20 0.49 1.56 -0.69 0.00 0.00 178.15 179.66 3kc0 h GLN 228 N 1.12 1.07 0.00 2.37 7.50 -0.55 -0.93 115.11 125.69 3kc0 h GLN 228 Ca 0.42 -0.09 0.00 0.00 0.50 0.00 0.00 58.65 59.48 3kc0 h GLN 228 Cb 0.19 -0.23 0.00 0.00 0.05 0.00 0.00 27.48 27.49 3kc0 h GLN 228 CO -0.16 0.74 0.00 0.00 -1.50 0.00 0.00 178.83 177.91 3kc0 h ARG 229 N 1.10 0.00 0.00 1.46 3.08 0.69 0.11 114.38 120.82 3kc0 h ARG 229 Ca 0.29 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 60.11 3kc0 h ARG 229 Cb -0.06 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 29.95 3kc0 h ARG 229 CO -0.06 0.00 -1.34 0.87 -1.07 0.00 0.00 179.97 178.37 3kc0 h LYS 230 N 0.00 0.00 0.00 0.04 1.79 -0.48 -3.10 116.57 114.82 3kc0 h LYS 230 Ca 0.00 0.00 -0.21 0.00 -2.18 0.00 0.00 60.65 58.26 3kc0 h LYS 230 Cb 0.55 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 31.17 3kc0 h LYS 230 CO 0.00 0.61 -1.56 1.63 -1.08 0.00 0.00 179.45 179.05 3kc0 n LYS 231 N -3.13 0.63 -3.39 3.15 5.02 -0.71 -0.35 118.16 119.39 3kc0 n LYS 231 Ca -0.09 0.23 -0.26 0.00 -2.02 0.00 0.00 58.31 56.17 3kc0 n LYS 231 Cb 0.96 -1.78 -0.09 0.00 -0.02 0.00 0.00 35.03 34.09 3kc0 n LYS 231 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3kc0 n PHE 232 N -2.92 0.55 -1.66 2.13 3.72 0.38 -4.75 117.46 114.90 3kc0 n PHE 232 Ca -0.13 -3.67 -0.51 0.00 -0.05 0.00 0.00 57.45 53.09 3kc0 n PHE 232 Cb 0.92 -0.21 -0.06 0.00 -0.94 0.00 0.00 39.48 39.19 3kc0 n PHE 232 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 3kc0 n PRO 233 N 1.88 1.63 -0.17 -1.08 -0.02 -1.17 -4.55 135.00 131.52 3kc0 n PRO 233 Ca 0.25 0.59 -0.09 0.00 -2.02 0.00 0.00 63.50 62.23 3kc0 n PRO 233 Cb 0.47 -2.33 0.00 0.00 -0.02 0.00 0.00 33.50 31.63 3kc0 n PRO 233 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3kc0 h PRO 234 N 6.79 0.81 -1.00 0.52 0.11 -1.92 -1.89 132.00 135.41 3kc0 h PRO 234 Ca -0.47 -0.22 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3kc0 h PRO 234 Cb 1.30 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.31 3kc0 h PRO 234 CO 0.90 0.82 0.00 -0.40 -0.21 0.00 0.00 178.00 179.10 3kc0 n ASP 235 N -4.42 1.97 -3.77 -2.05 5.75 -1.26 -4.81 116.55 107.95 3kc0 n ASP 235 Ca 0.01 -1.91 -0.29 0.00 -0.01 0.00 0.00 54.79 52.59 3kc0 n ASP 235 Cb 0.26 -0.48 -0.02 0.00 -1.03 0.00 0.00 41.12 39.85 3kc0 n ASP 235 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3kc0 n ASN 236 N 0.29 -3.00 -3.44 -1.12 4.13 -0.71 -4.97 115.26 106.45 3kc0 n ASN 236 Ca 0.00 -0.66 -0.21 0.00 1.68 0.00 0.00 54.58 55.39 3kc0 n ASN 236 Cb 0.37 -2.50 0.14 0.00 -1.54 0.00 0.00 39.78 36.24 3kc0 n ASN 236 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3kc0 n SER 237 N -2.36 0.17 -4.71 6.41 3.41 -1.26 -5.00 113.62 110.28 3kc0 n SER 237 Ca 0.04 -1.40 -0.42 0.00 -0.26 0.00 0.00 58.87 56.83 3kc0 n SER 237 Cb 0.50 -0.71 -0.03 0.00 -0.26 0.00 0.00 64.21 63.71 3kc0 n SER 237 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3kc0 s ALA 238 N -3.88 3.26 0.53 7.33 0.00 -1.26 -4.52 121.76 123.21 3kc0 s ALA 238 Ca 0.54 0.67 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 3kc0 s ALA 238 Cb -0.02 -3.38 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 3kc0 s ALA 238 CO 0.38 -0.30 1.31 -1.25 0.00 0.00 0.00 175.76 175.90 3kc0 s PRO 239 N 0.94 3.29 0.64 0.00 0.04 -1.26 -4.91 135.00 133.74 3kc0 s PRO 239 Ca 0.54 2.12 -0.16 0.00 0.04 0.00 0.00 61.00 63.54 3kc0 s PRO 239 Cb -0.25 -2.29 -0.01 0.00 0.04 0.00 0.00 34.50 31.99 3kc0 s PRO 239 CO 0.29 -1.04 1.14 0.71 0.04 0.00 0.00 177.00 178.14 3kc0 s TYR 240 N -1.36 2.51 0.42 0.56 1.51 0.53 -5.00 117.35 116.52 3kc0 s TYR 240 Ca 0.70 1.55 -0.08 0.00 -1.01 0.00 0.00 57.07 58.23 3kc0 s TYR 240 Cb -0.38 -3.28 -0.05 0.00 -0.11 0.00 0.00 41.96 38.14 3kc0 s TYR 240 CO 0.45 -1.87 0.76 0.20 -1.11 0.00 0.00 175.55 173.97 3kc0 s GLY 241 N -2.19 1.79 -0.08 0.71 0.00 0.21 -4.79 107.32 102.98 3kc0 s GLY 241 Ca 0.71 -0.33 -0.00 0.00 0.00 0.00 0.00 44.72 45.10 3kc0 s GLY 241 CO 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 173.10 173.27 3kc0 s ALA 242 N -2.47 3.05 -0.16 3.20 0.00 -1.26 -1.10 121.76 123.01 3kc0 s ALA 242 Ca 0.49 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 51.48 3kc0 s ALA 242 Cb -0.10 -1.30 0.05 0.00 0.00 0.00 0.00 23.12 21.77 3kc0 s ALA 242 CO 0.36 0.55 0.41 1.03 0.00 0.00 0.00 175.76 178.11 3kc0 s ARG 243 N -0.75 0.42 -0.29 0.00 1.81 -1.04 -4.96 118.95 114.14 3kc0 s ARG 243 Ca 0.11 0.71 0.03 0.00 -1.72 0.00 0.00 55.73 54.87 3kc0 s ARG 243 Cb -0.11 0.06 0.18 0.00 -0.45 0.00 0.00 34.95 34.63 3kc0 s ARG 243 CO 0.02 -0.12 0.50 -0.47 -0.68 0.00 0.00 175.30 174.54 3kc0 s TYR 244 N 1.01 -1.43 0.12 -0.53 5.04 -1.26 -3.98 117.35 116.32 3kc0 s TYR 244 Ca -0.06 0.78 -0.06 0.00 -2.44 0.00 0.00 57.07 55.28 3kc0 s TYR 244 Cb -0.07 0.11 -0.11 0.00 0.35 0.00 0.00 41.96 42.25 3kc0 s TYR 244 CO -0.08 -1.01 1.30 0.28 -1.34 0.00 0.00 175.55 174.69 3kc0 h VAL 245 N 6.08 1.37 0.00 3.14 2.07 -1.97 -3.48 116.25 123.46 3kc0 h VAL 245 Ca -0.07 -2.35 0.00 0.00 0.82 0.00 0.00 66.70 65.10 3kc0 h VAL 245 Cb 1.16 2.35 0.00 0.00 -1.52 0.00 0.00 31.29 33.28 3kc0 h VAL 245 CO 0.21 0.71 0.00 0.61 0.02 0.00 0.00 177.57 179.12 3kc0 n GLY 246 N 0.92 2.96 3.45 2.17 0.00 -1.26 -5.01 105.19 108.42 3kc0 n GLY 246 Ca -0.07 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.55 3kc0 n GLY 246 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3kc0 s SER 247 N -1.26 5.72 0.21 1.61 0.15 -1.26 -4.88 113.70 113.99 3kc0 s SER 247 Ca 0.00 -0.58 -0.11 0.00 0.70 0.00 0.00 55.95 55.96 3kc0 s SER 247 Cb 0.00 -2.04 0.27 0.00 -1.71 0.00 0.00 66.02 62.54 3kc0 s SER 247 CO 0.00 -0.24 1.67 -0.03 1.20 0.00 0.00 173.24 175.84 3kc0 h MET 248 N 8.41 0.12 -0.63 5.44 4.05 -1.94 -0.71 114.93 129.68 3kc0 h MET 248 Ca -0.31 -0.01 0.10 0.00 -0.28 0.00 0.00 59.70 59.21 3kc0 h MET 248 Cb 1.14 -0.03 -0.08 0.00 -0.80 0.00 0.00 31.60 31.84 3kc0 h MET 248 CO 0.63 0.08 0.23 0.28 0.23 0.00 0.00 176.91 178.36 3kc0 h VAL 249 N 0.13 0.73 -0.15 -5.77 2.07 -1.94 0.24 116.25 111.56 3kc0 h VAL 249 Ca 0.30 -0.14 -0.02 0.00 0.82 0.00 0.00 66.70 67.67 3kc0 h VAL 249 Cb 0.48 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 30.55 3kc0 h VAL 249 CO -0.49 0.07 0.03 0.00 0.02 0.00 0.00 177.57 177.20 3kc0 h ALA 250 N 1.45 0.20 -0.62 1.67 0.00 -1.56 -1.69 119.26 118.71 3kc0 h ALA 250 Ca 0.33 -0.16 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 3kc0 h ALA 250 Cb 0.43 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.14 3kc0 h ALA 250 CO -0.34 -0.14 0.04 -0.44 0.00 0.00 0.00 179.25 178.37 3kc0 h ASP 251 N 0.03 1.03 -0.51 0.00 3.32 -0.60 -1.85 116.42 117.84 3kc0 h ASP 251 Ca 0.05 -0.29 -0.12 0.00 0.02 0.00 0.00 57.03 56.68 3kc0 h ASP 251 Cb 0.30 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3kc0 h ASP 251 CO 0.00 1.06 -0.16 0.58 -1.72 0.00 0.00 179.24 179.01 3kc0 h VAL 252 N 0.96 1.27 -0.73 -1.35 2.07 -0.55 -2.25 116.25 115.67 3kc0 h VAL 252 Ca 0.18 -1.32 -0.06 0.00 0.82 0.00 0.00 66.70 66.31 3kc0 h VAL 252 Cb 0.51 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3kc0 h VAL 252 CO 0.02 0.46 0.21 -0.74 0.02 0.00 0.00 177.57 177.54 3kc0 h HIS 253 N 0.89 1.18 -0.25 1.57 -0.00 -1.16 0.11 115.15 117.49 3kc0 h HIS 253 Ca 0.13 -0.13 -0.00 0.00 -0.00 0.00 0.00 60.37 60.37 3kc0 h HIS 253 Cb 0.73 -0.34 -0.01 0.00 -0.00 0.00 0.00 27.41 27.79 3kc0 h HIS 253 CO 0.05 0.94 0.15 -0.09 -0.00 0.00 0.00 177.93 178.98 3kc0 h ARG 254 N 1.09 0.34 -0.55 5.26 2.43 -1.21 -0.45 114.38 121.29 3kc0 h ARG 254 Ca 0.23 -0.03 0.07 0.00 -0.81 0.00 0.00 59.98 59.44 3kc0 h ARG 254 Cb 0.33 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.75 3kc0 h ARG 254 CO -0.00 0.28 0.23 1.15 -1.51 0.00 0.00 179.97 180.12 3kc0 h THR 255 N 0.30 0.86 -0.01 0.20 2.02 -0.93 0.69 112.91 116.03 3kc0 h THR 255 Ca 0.09 -0.15 0.01 0.00 0.77 0.00 0.00 66.41 67.12 3kc0 h THR 255 Cb 0.03 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 66.81 3kc0 h THR 255 CO -0.02 0.08 -0.02 0.25 0.37 0.00 0.00 175.52 176.19 3kc0 h LEU 256 N 0.44 -0.05 -0.13 2.58 5.85 -0.46 1.29 115.31 124.82 3kc0 h LEU 256 Ca 0.26 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 3kc0 h LEU 256 Cb 0.25 0.03 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 3kc0 h LEU 256 CO -0.23 -0.03 -0.19 0.58 -0.34 0.00 0.00 178.44 178.23 3kc0 h VAL 257 N -0.03 1.36 -0.00 1.05 2.07 -0.45 -3.34 116.25 116.91 3kc0 h VAL 257 Ca 0.01 -1.41 0.00 0.00 0.82 0.00 0.00 66.70 66.12 3kc0 h VAL 257 Cb 0.04 1.98 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3kc0 h VAL 257 CO -0.03 0.41 -0.94 -1.22 0.02 0.00 0.00 177.57 175.81 3kc0 n TYR 258 N -4.52 0.00 0.00 1.57 4.01 0.23 -4.90 117.16 113.56 3kc0 n TYR 258 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 3kc0 n TYR 258 Cb 0.40 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.41 3kc0 n TYR 258 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3kc0 n GLY 259 N 1.50 -1.42 0.00 2.72 0.00 0.44 -4.66 105.19 103.77 3kc0 n GLY 259 Ca 0.04 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.51 3kc0 n GLY 259 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc0 n GLY 260 N -1.52 0.29 2.97 -0.02 0.00 -1.26 -4.52 105.19 101.13 3kc0 n GLY 260 Ca 0.00 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.81 3kc0 n GLY 260 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3kc0 s ILE 261 N 0.00 0.02 -0.04 -0.61 2.07 -0.42 0.49 121.20 122.72 3kc0 s ILE 261 Ca 0.00 -0.18 0.05 0.00 -1.41 0.00 0.00 60.65 59.12 3kc0 s ILE 261 Cb 0.00 -0.17 -0.01 0.00 0.13 0.00 0.00 42.46 42.41 3kc0 s ILE 261 CO 0.00 -0.10 -0.21 0.12 -1.91 0.00 0.00 174.94 172.85 3kc0 s PHE 262 N -0.28 1.99 0.01 3.50 5.36 0.12 -0.72 117.98 127.96 3kc0 s PHE 262 Ca -0.03 -0.54 0.01 0.00 -0.96 0.00 0.00 56.93 55.41 3kc0 s PHE 262 Cb -0.02 -1.31 -0.01 0.00 -0.34 0.00 0.00 43.02 41.34 3kc0 s PHE 262 CO 0.00 -0.15 -0.03 -0.51 -1.46 0.00 0.00 175.22 173.07 3kc0 s LEU 263 N -0.15 2.07 -0.44 6.12 1.02 0.47 -1.04 118.68 126.74 3kc0 s LEU 263 Ca -0.01 -0.17 0.07 0.00 0.02 0.00 0.00 54.13 54.04 3kc0 s LEU 263 Cb -0.11 -0.08 0.23 0.00 0.02 0.00 0.00 46.19 46.25 3kc0 s LEU 263 CO 0.02 -0.05 0.66 0.00 0.02 0.00 0.00 176.35 177.00 3kc0 n TYR 264 N 2.63 -1.85 -1.86 0.29 4.19 -0.53 -4.38 117.16 115.64 3kc0 n TYR 264 Ca -0.15 -2.67 -0.29 0.00 3.31 0.00 0.00 57.90 58.10 3kc0 n TYR 264 Cb 0.58 0.59 0.12 0.00 0.49 0.00 0.00 39.34 41.12 3kc0 n TYR 264 CO 0.00 0.00 0.00 -1.25 0.91 0.00 0.00 176.86 176.52 3kc0 s PRO 265 N -0.17 1.55 0.52 2.98 0.04 -1.26 -2.33 135.00 136.33 3kc0 s PRO 265 Ca 0.33 0.01 -0.13 0.00 0.04 0.00 0.00 61.00 61.25 3kc0 s PRO 265 Cb 0.16 -1.91 -0.06 0.00 0.04 0.00 0.00 34.50 32.73 3kc0 s PRO 265 CO -0.17 -1.87 0.94 0.00 0.04 0.00 0.00 177.00 175.95 3kc0 s ALA 266 N -3.62 3.15 0.00 8.56 0.00 -1.26 -4.62 121.76 123.98 3kc0 s ALA 266 Ca 0.65 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3kc0 s ALA 266 Cb -0.10 -2.99 0.00 0.00 0.00 0.00 0.00 23.12 20.03 3kc0 s ALA 266 CO 0.50 -0.34 0.00 0.27 0.00 0.00 0.00 175.76 176.19 3kc0 n ASN 267 N -1.94 0.56 -0.04 0.00 2.04 0.10 -4.45 115.26 111.54 3kc0 n ASN 267 Ca 0.05 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 54.05 3kc0 n ASN 267 Cb 0.54 0.00 -0.09 0.00 -2.53 0.00 0.00 39.78 37.70 3kc0 n ASN 267 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 3kc0 h LYS 268 N 0.00 0.28 -0.08 -3.83 3.64 -1.90 -3.16 116.57 111.52 3kc0 h LYS 268 Ca 0.00 -0.20 -0.16 0.00 -1.27 0.00 0.00 60.65 59.02 3kc0 h LYS 268 Cb 0.00 0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.84 3kc0 h LYS 268 CO 0.00 0.81 -0.66 0.87 -2.27 0.00 0.00 179.45 178.20 3kc0 h LYS 269 N -0.20 0.32 -3.20 1.90 1.79 -1.97 -3.37 116.57 111.83 3kc0 h LYS 269 Ca -0.00 -0.24 -0.64 0.00 -2.18 0.00 0.00 60.65 57.59 3kc0 h LYS 269 Cb 0.82 0.04 -0.41 0.00 -1.58 0.00 0.00 32.23 31.10 3kc0 h LYS 269 CO 0.04 0.87 -0.53 -1.12 -1.08 0.00 0.00 179.45 177.63 3kc0 s SER 270 N -6.93 4.83 0.52 0.86 0.01 -1.24 -4.96 113.70 106.80 3kc0 s SER 270 Ca -0.05 -3.60 0.24 0.00 1.31 0.00 0.00 55.95 53.84 3kc0 s SER 270 Cb 0.11 -1.67 1.43 0.00 0.21 0.00 0.00 66.02 66.10 3kc0 s SER 270 CO 0.82 -0.14 2.11 1.55 0.41 0.00 0.00 173.24 177.99 3kc0 h PRO 271 N 5.78 0.00 -0.32 12.44 0.13 -1.73 0.30 132.00 148.61 3kc0 h PRO 271 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 3kc0 h PRO 271 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 3kc0 h PRO 271 CO 0.72 0.09 0.00 0.09 -0.23 0.00 0.00 178.00 178.67 3kc0 n ASN 272 N -3.96 3.44 0.00 1.44 3.02 -1.26 -4.73 115.26 113.20 3kc0 n ASN 272 Ca -0.02 -2.48 0.00 0.00 -0.03 0.00 0.00 54.58 52.05 3kc0 n ASN 272 Cb 0.18 -0.39 0.00 0.00 -0.61 0.00 0.00 39.78 38.96 3kc0 n ASN 272 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3kc0 n GLY 273 N 0.08 -2.55 0.06 7.41 0.00 -1.03 -1.08 105.19 108.09 3kc0 n GLY 273 Ca 0.17 -1.72 -0.05 0.00 0.00 0.00 0.00 46.02 44.41 3kc0 n GLY 273 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc0 n LYS 274 N -0.32 0.18 -1.92 1.61 4.81 -1.26 -4.64 118.16 116.62 3kc0 n LYS 274 Ca 0.00 0.04 -0.35 0.00 -0.87 0.00 0.00 58.31 57.13 3kc0 n LYS 274 Cb 0.00 -1.13 0.04 0.00 0.02 0.00 0.00 35.03 33.96 3kc0 n LYS 274 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 3kc0 s LEU 275 N -5.46 3.60 0.11 3.14 1.43 -1.26 -4.79 118.68 115.45 3kc0 s LEU 275 Ca -0.10 2.34 -0.25 0.00 -1.03 0.00 0.00 54.13 55.09 3kc0 s LEU 275 Cb 0.03 -4.59 -0.07 0.00 0.03 0.00 0.00 46.19 41.58 3kc0 s LEU 275 CO 0.17 -1.67 0.78 -0.13 0.23 0.00 0.00 176.35 175.72 3kc0 s ARG 276 N -3.47 4.54 -0.03 1.70 3.00 -1.26 -1.03 118.95 122.40 3kc0 s ARG 276 Ca 0.76 1.13 -0.26 0.00 0.00 0.00 0.00 55.73 57.36 3kc0 s ARG 276 Cb -0.29 -3.31 -0.21 0.00 0.00 0.00 0.00 34.95 31.15 3kc0 s ARG 276 CO 0.35 0.45 1.24 1.25 0.00 0.00 0.00 175.30 178.59 3kc0 h LEU 277 N 4.90 0.00 -0.07 2.53 5.85 -1.40 0.60 115.31 127.71 3kc0 h LEU 277 Ca -0.46 -0.52 0.01 0.00 0.84 0.00 0.00 57.88 57.75 3kc0 h LEU 277 Cb 1.21 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.23 3kc0 h LEU 277 CO 0.68 0.52 0.01 -0.07 -0.34 0.00 0.00 178.44 179.24 3kc0 h LEU 278 N -0.51 -0.00 -1.88 2.25 -0.00 -1.79 -0.59 115.31 112.79 3kc0 h LEU 278 Ca 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 57.88 57.89 3kc0 h LEU 278 Cb 0.52 0.02 0.00 0.00 -0.00 0.00 0.00 40.66 41.20 3kc0 h LEU 278 CO 0.00 0.01 0.00 0.00 -0.00 0.00 0.00 178.44 178.45 3kc0 n TYR 279 N -5.09 0.13 0.02 1.13 4.11 -1.26 -4.47 117.16 111.73 3kc0 n TYR 279 Ca -0.05 -0.17 0.00 0.00 -0.00 0.00 0.00 57.90 57.68 3kc0 n TYR 279 Cb 0.05 -0.01 0.00 0.00 -0.00 0.00 0.00 39.34 39.38 3kc0 n TYR 279 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.86 177.25 3kc0 n GLU 280 N 0.45 0.00 0.14 -3.48 1.02 -0.95 -4.21 120.64 113.61 3kc0 n GLU 280 Ca 0.07 0.00 -0.09 0.00 -0.02 0.00 0.00 57.16 57.11 3kc0 n GLU 280 Cb 0.28 -0.40 -0.05 0.00 -0.02 0.00 0.00 31.44 31.26 3kc0 n GLU 280 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3kc0 h ASN 282 N -1.03 -0.74 -0.36 0.00 -0.26 -1.34 0.36 115.58 112.21 3kc0 h ASN 282 Ca -0.04 0.11 0.08 0.00 -0.56 0.00 0.00 56.30 55.88 3kc0 h ASN 282 Cb 0.45 0.31 -0.08 0.00 -1.06 0.00 0.00 38.32 37.94 3kc0 h ASN 282 CO 0.07 -0.31 -0.19 -0.65 -1.06 0.00 0.00 177.43 175.30 3kc0 h PRO 283 N -0.35 -0.12 -0.43 0.81 0.11 -1.78 0.32 132.00 130.55 3kc0 h PRO 283 Ca 0.08 0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.12 3kc0 h PRO 283 Cb 0.46 0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 3kc0 h PRO 283 CO -0.25 -0.08 -0.04 0.52 -0.21 0.00 0.00 178.00 177.94 3kc0 h MET 284 N -0.13 0.71 -0.40 1.05 2.86 -1.46 -1.61 114.93 115.96 3kc0 h MET 284 Ca 0.18 -0.20 -0.02 0.00 -2.06 0.00 0.00 59.70 57.61 3kc0 h MET 284 Cb 0.41 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 3kc0 h MET 284 CO -0.44 0.75 0.18 0.00 1.06 0.00 0.00 176.91 178.46 3kc0 h ALA 285 N 1.30 0.51 -0.31 6.32 0.00 0.11 -1.01 119.26 126.17 3kc0 h ALA 285 Ca 0.13 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 54.93 3kc0 h ALA 285 Cb 0.47 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.08 3kc0 h ALA 285 CO 0.02 0.09 0.19 -0.92 0.00 0.00 0.00 179.25 178.63 3kc0 h TYR 286 N 0.50 0.36 -0.41 0.00 3.20 -0.09 -1.17 116.97 119.35 3kc0 h TYR 286 Ca 0.13 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.02 3kc0 h TYR 286 Cb 0.15 -0.12 -0.02 0.00 1.54 0.00 0.00 36.73 38.28 3kc0 h TYR 286 CO -0.01 0.22 0.27 0.28 -1.64 0.00 0.00 178.16 177.28 3kc0 h VAL 287 N 0.39 1.11 -0.01 1.81 2.07 -1.09 -1.94 116.25 118.58 3kc0 h VAL 287 Ca 0.12 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.44 3kc0 h VAL 287 Cb -0.02 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.26 3kc0 h VAL 287 CO -0.04 0.10 0.00 0.24 0.02 0.00 0.00 177.57 177.89 3kc0 h MET 288 N 0.55 0.01 -0.89 1.57 2.86 -0.87 -2.09 114.93 116.07 3kc0 h MET 288 Ca 0.15 -0.00 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3kc0 h MET 288 Cb -0.06 -0.00 -0.05 0.00 0.06 0.00 0.00 31.60 31.55 3kc0 h MET 288 CO -0.03 0.01 0.59 0.93 1.06 0.00 0.00 176.91 179.46 3kc0 h GLU 289 N 0.00 1.15 0.00 1.72 5.08 -1.05 0.70 114.58 122.18 3kc0 h GLU 289 Ca 0.00 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 3kc0 h GLU 289 Cb 0.00 -0.26 -0.00 0.00 0.50 0.00 0.00 28.75 28.99 3kc0 h GLU 289 CO -0.00 0.76 -0.03 0.87 -1.00 0.00 0.00 179.01 179.61 3kc0 h LYS 290 N 1.18 0.00 -0.61 2.33 1.79 -1.18 -1.72 116.57 118.35 3kc0 h LYS 290 Ca 0.34 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.81 3kc0 h LYS 290 Cb -0.09 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3kc0 h LYS 290 CO -0.09 0.03 0.00 0.00 -1.08 0.00 0.00 179.45 178.32 3kc0 n ALA 291 N -2.12 2.40 -0.78 3.86 0.00 -0.47 -4.46 120.51 118.96 3kc0 n ALA 291 Ca -0.00 -1.09 0.00 0.00 0.00 0.00 0.00 53.44 52.35 3kc0 n ALA 291 Cb 0.29 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.79 3kc0 n ALA 291 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3kc0 n GLY 292 N 1.49 0.55 0.35 0.00 0.00 -0.65 -0.10 105.19 106.83 3kc0 n GLY 292 Ca 0.21 -0.61 -0.02 0.00 0.00 0.00 0.00 46.02 45.60 3kc0 n GLY 292 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kc0 n GLY 293 N -2.78 2.43 3.24 -0.02 0.00 0.23 -4.49 105.19 103.81 3kc0 n GLY 293 Ca 0.00 -2.16 -0.15 0.00 0.00 0.00 0.00 46.02 43.71 3kc0 n GLY 293 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3kc0 s MET 294 N -2.22 1.04 -0.25 1.61 1.00 -0.81 -3.75 119.30 115.91 3kc0 s MET 294 Ca 0.04 -1.40 -0.02 0.00 0.00 0.00 0.00 55.69 54.32 3kc0 s MET 294 Cb -0.00 -0.66 0.13 0.00 0.00 0.00 0.00 34.83 34.30 3kc0 s MET 294 CO 0.03 0.09 0.33 0.00 0.00 0.00 0.00 175.02 175.47 3kc0 s ALA 295 N -3.08 -0.79 0.24 3.03 0.00 -1.26 -1.96 121.76 117.94 3kc0 s ALA 295 Ca 0.15 0.38 0.10 0.00 0.00 0.00 0.00 51.96 52.58 3kc0 s ALA 295 Cb 0.01 -1.70 -0.05 0.00 0.00 0.00 0.00 23.12 21.38 3kc0 s ALA 295 CO 0.01 -1.44 -0.18 -0.08 0.00 0.00 0.00 175.76 174.07 3kc0 s THR 296 N 2.46 2.15 -1.68 0.00 -1.32 -0.14 -1.16 115.64 115.95 3kc0 s THR 296 Ca 0.10 -2.30 0.22 0.00 -1.21 0.00 0.00 61.69 58.51 3kc0 s THR 296 Cb -0.15 -2.17 -0.07 0.00 -1.51 0.00 0.00 72.50 68.60 3kc0 s THR 296 CO -0.21 -0.46 1.04 0.35 -2.21 0.00 0.00 174.62 173.12 3kc0 n THR 297 N -0.46 0.00 0.00 5.08 -2.24 0.15 -0.51 114.28 116.31 3kc0 n THR 297 Ca -0.07 -0.17 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3kc0 n THR 297 Cb 0.60 1.14 0.00 0.00 -2.10 0.00 0.00 70.33 69.97 3kc0 n THR 297 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3kc0 n GLY 298 N 1.45 3.05 0.09 3.38 0.00 -1.26 -4.71 105.19 107.19 3kc0 n GLY 298 Ca 0.08 -1.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.02 3kc0 n GLY 298 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3kc0 n LYS 299 N 0.00 0.66 -3.76 1.61 4.81 -1.26 -4.96 118.16 115.26 3kc0 n LYS 299 Ca 0.00 0.12 -0.05 0.00 -0.87 0.00 0.00 58.31 57.51 3kc0 n LYS 299 Cb 0.00 -1.65 -0.02 0.00 0.02 0.00 0.00 35.03 33.39 3kc0 n LYS 299 CO 0.00 0.00 0.00 -1.83 1.17 0.00 0.00 177.40 176.74 3kc0 s GLU 300 N -2.62 1.34 0.20 1.64 -1.05 -1.26 -5.13 118.70 111.82 3kc0 s GLU 300 Ca -0.07 -0.72 -0.31 0.00 -0.15 0.00 0.00 54.97 53.71 3kc0 s GLU 300 Cb 0.07 0.47 -0.10 0.00 -0.44 0.00 0.00 34.13 34.13 3kc0 s GLU 300 CO 0.83 -0.61 1.54 0.00 0.95 0.00 0.00 175.26 177.97 3kc0 s ALA 301 N -3.46 3.74 0.24 -0.84 0.00 -1.26 -0.67 121.76 119.51 3kc0 s ALA 301 Ca 0.11 1.39 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 3kc0 s ALA 301 Cb -0.03 -3.61 0.43 0.00 0.00 0.00 0.00 23.12 19.92 3kc0 s ALA 301 CO 0.03 -0.80 1.68 0.28 0.00 0.00 0.00 175.76 176.95 3kc0 h VAL 302 N 3.81 0.52 -0.05 0.00 2.07 -1.43 0.09 116.25 121.25 3kc0 h VAL 302 Ca -0.44 -0.09 0.01 0.00 0.82 0.00 0.00 66.70 67.01 3kc0 h VAL 302 Cb 1.21 0.24 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3kc0 h VAL 302 CO 0.87 0.05 0.08 -0.07 0.02 0.00 0.00 177.57 178.51 3kc0 h LEU 303 N 0.25 0.00 0.00 2.57 4.07 -1.90 -2.43 115.31 117.87 3kc0 h LEU 303 Ca 0.40 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.36 3kc0 h LEU 303 Cb 0.67 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.41 3kc0 h LEU 303 CO -0.51 0.00 -0.47 0.47 -1.08 0.00 0.00 178.44 176.86 3kc0 n ASP 304 N -3.60 0.63 -4.70 -0.43 8.00 0.01 -0.78 116.55 115.69 3kc0 n ASP 304 Ca -0.02 0.16 -0.42 0.00 0.71 0.00 0.00 54.79 55.22 3kc0 n ASP 304 Cb 0.17 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.22 3kc0 n ASP 304 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3kc0 s VAL 305 N -3.12 2.82 -0.41 2.53 1.01 -0.91 -4.94 120.40 117.38 3kc0 s VAL 305 Ca 0.08 0.39 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 3kc0 s VAL 305 Cb 0.14 -3.25 0.02 0.00 0.00 0.00 0.00 36.38 33.29 3kc0 s VAL 305 CO 0.68 0.01 0.59 -0.63 0.00 0.00 0.00 175.10 175.75 3kc0 s ILE 306 N 2.26 4.90 0.68 2.22 1.09 -1.26 -4.30 121.20 126.79 3kc0 s ILE 306 Ca 0.74 0.15 -0.15 0.00 -1.10 0.00 0.00 60.65 60.29 3kc0 s ILE 306 Cb -0.42 -4.13 0.01 0.00 -1.06 0.00 0.00 42.46 36.86 3kc0 s ILE 306 CO 0.33 -0.48 1.12 -2.16 -0.10 0.00 0.00 174.94 173.65 3kc0 s PRO 307 N 2.64 2.68 0.00 2.79 0.04 -1.26 -4.96 135.00 136.94 3kc0 s PRO 307 Ca 0.21 1.41 0.00 0.00 0.04 0.00 0.00 61.00 62.66 3kc0 s PRO 307 Cb -0.15 -1.93 0.00 0.00 0.04 0.00 0.00 34.50 32.46 3kc0 s PRO 307 CO 0.17 -1.34 0.00 0.25 0.04 0.00 0.00 177.00 176.11 3kc0 n THR 308 N -2.54 0.00 -3.96 1.26 -2.24 -1.26 -4.82 114.28 100.72 3kc0 n THR 308 Ca 0.11 -0.06 -0.21 0.00 -2.27 0.00 0.00 64.05 61.62 3kc0 n THR 308 Cb 0.52 0.46 -0.17 0.00 -2.10 0.00 0.00 70.33 69.04 3kc0 n THR 308 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3kc0 s ASP 309 N -1.22 1.10 0.61 3.42 3.68 -1.26 -5.04 116.67 117.96 3kc0 s ASP 309 Ca 0.00 -0.09 0.30 0.00 2.13 0.00 0.00 52.55 54.88 3kc0 s ASP 309 Cb 0.00 -0.40 1.60 0.00 -1.45 0.00 0.00 42.92 42.67 3kc0 s ASP 309 CO 0.00 -0.12 1.98 0.16 0.13 0.00 0.00 175.17 177.32 3kc0 h ILE 310 N 6.23 0.29 -0.28 4.11 3.07 -1.93 -0.96 117.51 128.03 3kc0 h ILE 310 Ca -0.32 0.00 0.00 0.00 1.55 0.00 0.00 64.86 66.09 3kc0 h ILE 310 Cb 1.14 0.71 0.00 0.00 -0.27 0.00 0.00 36.82 38.40 3kc0 h ILE 310 CO 0.39 0.00 0.00 1.41 -1.05 0.00 0.00 178.15 178.90 3kc0 n HIS 311 N -3.50 0.86 -2.07 0.16 8.25 -1.26 -4.49 115.22 113.18 3kc0 n HIS 311 Ca 0.03 -0.79 -0.37 0.00 -0.26 0.00 0.00 57.72 56.33 3kc0 n HIS 311 Cb 0.47 -0.26 0.02 0.00 1.12 0.00 0.00 29.99 31.34 3kc0 n HIS 311 CO 0.00 0.00 0.00 1.14 0.64 0.00 0.00 176.34 178.12 3kc0 s GLN 312 N -2.44 3.35 0.61 -0.41 -2.07 -0.37 -4.83 119.66 113.50 3kc0 s GLN 312 Ca 0.38 1.90 -0.04 0.00 -1.82 0.00 0.00 55.36 55.78 3kc0 s GLN 312 Cb 0.30 -2.21 0.03 0.00 -1.09 0.00 0.00 33.01 30.04 3kc0 s GLN 312 CO 0.10 -0.92 0.89 1.03 -1.32 0.00 0.00 175.29 175.08 3kc0 s ARG 313 N -2.97 2.64 -0.28 9.60 0.52 -1.26 -1.18 118.95 126.02 3kc0 s ARG 313 Ca 0.70 -0.26 -0.19 0.00 -0.52 0.00 0.00 55.73 55.46 3kc0 s ARG 313 Cb -0.32 -2.30 0.08 0.00 0.52 0.00 0.00 34.95 32.93 3kc0 s ARG 313 CO 0.37 -0.83 0.74 0.00 0.02 0.00 0.00 175.30 175.59 3kc0 s ALA 314 N -2.99 -1.88 0.64 2.13 0.00 -0.20 -4.62 121.76 114.84 3kc0 s ALA 314 Ca 0.56 2.26 -0.15 0.00 0.00 0.00 0.00 51.96 54.63 3kc0 s ALA 314 Cb -0.11 -1.37 -0.01 0.00 0.00 0.00 0.00 23.12 21.63 3kc0 s ALA 314 CO 0.43 -0.36 1.08 -1.25 0.00 0.00 0.00 175.76 175.67 3kc0 s PRO 315 N 1.16 3.01 -0.17 0.00 0.04 -0.73 -4.30 135.00 134.00 3kc0 s PRO 315 Ca -0.06 1.27 -0.10 0.00 0.04 0.00 0.00 61.00 62.15 3kc0 s PRO 315 Cb -0.05 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.56 3kc0 s PRO 315 CO -0.12 -1.07 0.43 0.54 0.04 0.00 0.00 177.00 176.81 3kc0 s VAL 316 N -2.46 -0.02 -0.13 -0.36 0.11 -0.98 -4.27 120.40 112.29 3kc0 s VAL 316 Ca 0.65 0.07 -0.01 0.00 -2.93 0.00 0.00 61.98 59.76 3kc0 s VAL 316 Cb -0.18 -0.63 0.03 0.00 -1.53 0.00 0.00 36.38 34.08 3kc0 s VAL 316 CO 0.41 0.03 -0.05 -0.63 -3.33 0.00 0.00 175.10 171.53 3kc0 s ILE 317 N 1.23 0.91 0.17 7.04 1.09 0.34 -1.46 121.20 130.52 3kc0 s ILE 317 Ca -0.08 -0.35 -0.03 0.00 -1.10 0.00 0.00 60.65 59.09 3kc0 s ILE 317 Cb -0.07 -1.04 -0.03 0.00 -1.06 0.00 0.00 42.46 40.26 3kc0 s ILE 317 CO -0.11 0.23 0.15 -1.48 -0.10 0.00 0.00 174.94 173.64 3kc0 s LEU 318 N 1.74 1.30 0.00 2.97 0.05 -0.21 -0.96 118.68 123.56 3kc0 s LEU 318 Ca 0.03 -1.20 0.00 0.00 0.05 0.00 0.00 54.13 53.02 3kc0 s LEU 318 Cb -0.14 0.59 0.00 0.00 -2.05 0.00 0.00 46.19 44.60 3kc0 s LEU 318 CO -0.08 -0.83 0.00 0.61 -0.55 0.00 0.00 176.35 175.50 3kc0 n GLY 319 N -0.20 0.61 3.65 -3.48 0.00 -0.83 0.15 105.19 105.08 3kc0 n GLY 319 Ca -0.03 -1.73 -0.45 0.00 0.00 0.00 0.00 46.02 43.82 3kc0 n GLY 319 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3kc0 n SER 320 N 0.00 2.28 0.02 1.61 7.64 0.18 -1.92 113.62 123.43 3kc0 n SER 320 Ca 0.00 1.16 -0.10 0.00 1.01 0.00 0.00 58.87 60.94 3kc0 n SER 320 Cb 0.00 -1.38 -0.04 0.00 -1.01 0.00 0.00 64.21 61.78 3kc0 n SER 320 CO 0.00 0.00 0.00 -0.65 -3.01 0.00 0.00 175.04 171.38 3kc0 h PRO 321 N 3.29 -0.34 -0.35 1.43 0.11 -1.74 -1.19 132.00 133.21 3kc0 h PRO 321 Ca -0.44 0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.76 3kc0 h PRO 321 Cb 1.30 0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.47 3kc0 h PRO 321 CO 0.69 -0.23 0.24 -0.44 -0.21 0.00 0.00 178.00 178.05 3kc0 h ASP 322 N -0.35 0.18 0.04 -2.05 5.19 -1.64 0.10 116.42 117.89 3kc0 h ASP 322 Ca 0.09 0.00 -0.20 0.00 -0.62 0.00 0.00 57.03 56.30 3kc0 h ASP 322 Cb 0.48 -0.04 0.02 0.00 0.18 0.00 0.00 39.33 39.97 3kc0 h ASP 322 CO -0.28 0.12 -0.80 0.44 -3.12 0.00 0.00 179.24 175.59 3kc0 h ASP 323 N 0.20 0.64 -0.35 6.45 3.45 -1.58 -2.04 116.42 123.20 3kc0 h ASP 323 Ca 0.16 -0.80 -0.04 0.00 0.43 0.00 0.00 57.03 56.78 3kc0 h ASP 323 Cb 0.36 -0.20 -0.01 0.00 -0.56 0.00 0.00 39.33 38.92 3kc0 h ASP 323 CO -0.03 1.36 0.06 0.58 -1.57 0.00 0.00 179.24 179.65 3kc0 h VAL 324 N -0.01 1.23 -0.92 -1.35 2.07 -0.80 -1.83 116.25 114.65 3kc0 h VAL 324 Ca -0.11 -0.81 0.08 0.00 0.82 0.00 0.00 66.70 66.68 3kc0 h VAL 324 Cb 1.52 1.10 -0.07 0.00 -1.52 0.00 0.00 31.29 32.31 3kc0 h VAL 324 CO 0.16 0.27 0.57 0.25 0.02 0.00 0.00 177.57 178.84 3kc0 h LEU 325 N 0.41 0.88 -0.70 2.57 5.85 -0.87 0.27 115.31 123.72 3kc0 h LEU 325 Ca 0.11 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3kc0 h LEU 325 Cb 0.34 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 3kc0 h LEU 325 CO 0.01 0.53 -0.04 -0.08 -0.34 0.00 0.00 178.44 178.51 3kc0 h GLU 326 N 0.99 0.96 -0.33 1.25 4.81 -1.00 -1.63 114.58 119.62 3kc0 h GLU 326 Ca 0.42 -0.31 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 3kc0 h GLU 326 Cb 0.28 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 3kc0 h GLU 326 CO -0.21 0.97 0.17 0.35 -0.73 0.00 0.00 179.01 179.57 3kc0 h PHE 327 N 0.87 0.47 -0.80 0.92 3.57 -0.35 -2.48 116.94 119.15 3kc0 h PHE 327 Ca 0.15 -0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3kc0 h PHE 327 Cb 0.57 -0.15 -0.05 0.00 2.79 0.00 0.00 35.95 39.11 3kc0 h PHE 327 CO 0.04 0.40 0.52 -0.07 -2.23 0.00 0.00 178.31 176.97 3kc0 h LEU 328 N 0.41 0.70 -0.60 0.59 3.38 -0.63 0.27 115.31 119.42 3kc0 h LEU 328 Ca 0.12 0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3kc0 h LEU 328 Cb 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 3kc0 h LEU 328 CO -0.02 0.42 0.18 0.11 0.09 0.00 0.00 178.44 179.22 3kc0 h LYS 329 N 0.78 0.94 -0.42 1.13 1.57 -0.87 -0.22 116.57 119.47 3kc0 h LYS 329 Ca 0.37 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.81 3kc0 h LYS 329 Cb 0.39 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 3kc0 h LYS 329 CO -0.14 0.84 -0.24 0.28 -0.57 0.00 0.00 179.45 179.62 3kc0 h VAL 330 N 0.85 1.27 -0.67 0.50 2.07 -0.82 -1.88 116.25 117.58 3kc0 h VAL 330 Ca 0.19 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.30 3kc0 h VAL 330 Cb 0.31 1.20 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 3kc0 h VAL 330 CO -0.00 0.47 0.32 0.22 0.02 0.00 0.00 177.57 178.60 3kc0 h TYR 331 N 0.75 0.96 -0.30 1.57 3.20 -0.15 -2.53 116.97 120.48 3kc0 h TYR 331 Ca 0.10 -0.05 -0.12 0.00 3.14 0.00 0.00 58.73 61.80 3kc0 h TYR 331 Cb 0.79 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.75 3kc0 h TYR 331 CO 0.05 0.72 -0.31 0.93 -1.64 0.00 0.00 178.16 177.91 3kc0 h GLU 332 N 0.93 0.64 -0.33 1.82 5.08 -0.90 -2.29 114.58 119.53 3kc0 h GLU 332 Ca 0.23 -0.28 0.10 0.00 -1.00 0.00 0.00 59.36 58.40 3kc0 h GLU 332 Cb 0.12 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3kc0 h GLU 332 CO -0.03 0.87 0.27 -0.22 -1.00 0.00 0.00 179.01 178.90 3kc0 h LYS 333 N 0.54 0.00 -0.72 2.33 3.64 -0.92 0.18 116.57 121.62 3kc0 h LYS 333 Ca 0.06 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.25 3kc0 h LYS 333 Cb 0.80 0.00 -0.11 0.00 -0.41 0.00 0.00 32.23 32.51 3kc0 h LYS 333 CO 0.07 0.00 0.24 0.72 -2.27 0.00 0.00 179.45 178.20 3kc0 n HIS 334 N -4.21 2.42 -0.88 1.91 8.25 -0.87 -5.11 115.22 116.73 3kc0 n HIS 334 Ca 0.05 -1.15 0.00 0.00 -0.26 0.00 0.00 57.72 56.36 3kc0 n HIS 334 Cb 0.44 -0.67 0.00 0.00 1.12 0.00 0.00 29.99 30.88 3kc0 n HIS 334 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41