#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kkb h ASN 40 N 0.00 0.82 -0.27 4.04 -1.24 -2.05 -2.59 115.58 114.29 3kkb h ASN 40 Ca 0.00 -0.62 0.04 0.00 0.71 0.00 0.00 56.30 56.43 3kkb h ASN 40 Cb 0.00 -0.24 -0.01 0.00 0.73 0.00 0.00 38.32 38.79 3kkb h ASN 40 CO 0.00 1.31 0.19 0.00 -1.29 0.00 0.00 177.43 177.64 3kkb h ALA 41 N 0.53 2.03 -0.08 1.57 0.00 -2.05 0.12 119.26 121.38 3kkb h ALA 41 Ca -0.04 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 3kkb h ALA 41 Cb 1.28 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.02 3kkb h ALA 41 CO 0.13 -0.08 -0.03 0.37 0.00 0.00 0.00 179.25 179.65 3kkb h GLN 42 N 0.19 0.16 0.00 0.00 4.15 -1.96 -1.56 115.11 116.08 3kkb h GLN 42 Ca 0.12 -0.06 -0.09 0.00 0.77 0.00 0.00 58.65 59.39 3kkb h GLN 42 Cb 0.25 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.92 3kkb h GLN 42 CO -0.02 0.50 -0.41 0.93 -1.93 0.00 0.00 178.83 177.90 3kkb h GLU 43 N -0.19 0.00 -0.18 1.69 5.08 -0.99 -3.02 114.58 116.97 3kkb h GLU 43 Ca 0.02 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.18 3kkb h GLU 43 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 3kkb h GLU 43 CO 0.01 0.41 -0.70 1.96 -1.00 0.00 0.00 179.01 179.69 3kkb h GLN 44 N 0.00 0.73 -0.80 2.33 1.08 -0.74 -0.68 115.11 117.04 3kkb h GLN 44 Ca -0.00 -0.55 0.00 0.00 -1.45 0.00 0.00 58.65 56.64 3kkb h GLN 44 Cb 0.83 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 28.36 3kkb h GLN 44 CO 0.05 1.17 0.00 0.54 -0.95 0.00 0.00 178.83 179.64 3kkb n ARG 45 N -3.94 0.19 0.00 1.46 1.74 -0.59 -1.23 116.66 114.28 3kkb n ARG 45 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 3kkb n ARG 45 Cb 0.70 -1.21 0.00 0.00 -1.02 0.00 0.00 32.46 30.93 3kkb n ARG 45 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3kkb n SER 47 N 0.60 0.00 0.09 0.55 2.88 -0.26 -2.27 113.62 115.20 3kkb n SER 47 Ca 0.00 0.00 -0.02 0.00 -1.33 0.00 0.00 58.87 57.52 3kkb n SER 47 Cb 0.06 0.00 0.21 0.00 -0.75 0.00 0.00 64.21 63.74 3kkb n SER 47 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 3kkb h HIS 48 N 0.00 0.29 -0.22 0.66 -0.00 -1.44 -0.94 115.15 113.50 3kkb h HIS 48 Ca 0.00 -0.08 -0.01 0.00 -0.00 0.00 0.00 60.37 60.28 3kkb h HIS 48 Cb 0.00 -0.06 -0.01 0.00 -0.00 0.00 0.00 27.41 27.34 3kkb h HIS 48 CO 0.00 0.64 0.09 0.45 -0.00 0.00 0.00 177.93 179.11 3kkb h HIS 49 N 0.20 0.33 -0.73 2.45 3.86 -1.73 -1.64 115.15 117.90 3kkb h HIS 49 Ca 0.02 -0.02 0.03 0.00 -1.16 0.00 0.00 60.37 59.23 3kkb h HIS 49 Cb 0.85 -0.10 -0.04 0.00 1.06 0.00 0.00 27.41 29.17 3kkb h HIS 49 CO 0.02 0.35 0.47 1.88 0.86 0.00 0.00 177.93 181.51 3kkb h TYR 50 N 0.21 0.87 -0.78 2.45 0.05 -1.80 -1.21 116.97 116.76 3kkb h TYR 50 Ca 0.07 0.02 0.07 0.00 0.05 0.00 0.00 58.73 58.95 3kkb h TYR 50 Cb 0.16 -0.29 -0.06 0.00 1.01 0.00 0.00 36.73 37.55 3kkb h TYR 50 CO -0.01 0.51 0.46 0.00 -1.05 0.00 0.00 178.16 178.07 3kkb h ALA 51 N 1.30 1.08 -0.57 3.88 0.00 -1.02 0.07 119.26 124.00 3kkb h ALA 51 Ca 0.29 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.13 3kkb h ALA 51 Cb -0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 3kkb h ALA 51 CO -0.10 0.14 0.04 1.15 0.00 0.00 0.00 179.25 180.48 3kkb h THR 52 N 0.81 1.26 -0.13 0.00 2.02 -0.72 -0.99 112.91 115.18 3kkb h THR 52 Ca 0.36 -1.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.34 3kkb h THR 52 Cb 0.24 0.83 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3kkb h THR 52 CO -0.20 0.39 -0.46 -0.29 0.37 0.00 0.00 175.52 175.33 3kkb h ILE 53 N 0.88 1.33 -0.49 3.11 2.10 -0.50 -0.83 117.51 123.10 3kkb h ILE 53 Ca 0.17 -1.66 -0.04 0.00 1.08 0.00 0.00 64.86 64.41 3kkb h ILE 53 Cb 0.50 1.74 -0.02 0.00 -1.09 0.00 0.00 36.82 37.95 3kkb h ILE 53 CO 0.02 0.50 0.14 -0.33 -1.08 0.00 0.00 178.15 177.40 3kkb h GLU 54 N 0.25 0.78 -0.40 2.19 5.08 -0.83 -0.48 114.58 121.18 3kkb h GLU 54 Ca 0.02 -0.18 0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3kkb h GLU 54 Cb 0.91 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 30.01 3kkb h GLU 54 CO 0.08 0.74 0.13 0.28 -1.00 0.00 0.00 179.01 179.24 3kkb h VAL 55 N 0.67 0.86 -0.66 3.13 2.07 -0.93 -1.61 116.25 119.79 3kkb h VAL 55 Ca 0.16 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.59 3kkb h VAL 55 Cb 0.30 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 3kkb h VAL 55 CO -0.00 0.05 0.43 0.77 0.02 0.00 0.00 177.57 178.84 3kkb h SER 56 N 0.28 0.74 -0.59 0.57 4.64 -0.77 -0.21 113.55 118.22 3kkb h SER 56 Ca 0.18 -0.02 -0.04 0.00 -0.47 0.00 0.00 61.79 61.45 3kkb h SER 56 Cb 0.18 -0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 3kkb h SER 56 CO -0.20 0.53 0.23 1.56 -0.87 0.00 0.00 176.83 178.08 3kkb h GLN 57 N 0.88 0.89 -0.50 4.77 1.08 -0.90 -1.29 115.11 120.04 3kkb h GLN 57 Ca 0.25 -0.17 -0.06 0.00 -1.45 0.00 0.00 58.65 57.21 3kkb h GLN 57 Cb -0.08 -0.14 -0.02 0.00 -0.05 0.00 0.00 27.48 27.19 3kkb h GLN 57 CO -0.06 0.77 0.07 1.96 -0.95 0.00 0.00 178.83 180.62 3kkb h GLN 58 N 0.82 0.83 -0.87 1.46 4.20 -0.87 -1.33 115.11 119.36 3kkb h GLN 58 Ca 0.20 -0.23 -0.03 0.00 0.06 0.00 0.00 58.65 58.65 3kkb h GLN 58 Cb 0.22 -0.09 -0.04 0.00 0.30 0.00 0.00 27.48 27.87 3kkb h GLN 58 CO -0.01 0.84 0.43 -0.07 -0.67 0.00 0.00 178.83 179.34 3kkb h LEU 59 N 0.71 1.12 -0.73 1.46 3.38 -0.92 -1.21 115.31 119.12 3kkb h LEU 59 Ca 0.15 -0.13 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3kkb h LEU 59 Cb 0.41 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.86 3kkb h LEU 59 CO 0.01 0.93 -0.05 0.03 0.09 0.00 0.00 178.44 179.46 3kkb h ARG 60 N 1.23 0.92 -0.41 1.13 3.08 -1.02 -0.69 114.38 118.63 3kkb h ARG 60 Ca 0.30 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3kkb h ARG 60 Cb 0.10 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.04 3kkb h ARG 60 CO -0.04 0.94 0.27 1.96 -1.07 0.00 0.00 179.97 182.03 3kkb h GLN 61 N 0.84 0.53 -0.59 0.04 4.20 -0.88 -0.90 115.11 118.36 3kkb h GLN 61 Ca 0.15 -0.03 -0.11 0.00 0.06 0.00 0.00 58.65 58.72 3kkb h GLN 61 Cb 0.56 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 28.20 3kkb h GLN 61 CO 0.03 0.36 -0.04 -0.07 -0.67 0.00 0.00 178.83 178.44 3kkb h LEU 62 N 0.55 1.06 -0.71 1.46 3.38 -1.01 -0.42 115.31 119.62 3kkb h LEU 62 Ca 0.15 -0.32 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3kkb h LEU 62 Cb -0.06 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 40.37 3kkb h LEU 62 CO -0.03 1.13 0.25 0.25 0.09 0.00 0.00 178.44 180.12 3kkb h LEU 63 N 0.96 1.00 -0.43 1.67 5.85 -1.02 -1.39 115.31 121.96 3kkb h LEU 63 Ca 0.16 -0.19 0.03 0.00 0.84 0.00 0.00 57.88 58.72 3kkb h LEU 63 Cb 0.61 -0.26 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 3kkb h LEU 63 CO 0.04 0.92 0.22 1.23 -0.34 0.00 0.00 178.44 180.51 3kkb h GLY 64 N 1.02 0.59 0.66 3.75 0.00 -0.82 -1.13 103.07 107.14 3kkb h GLY 64 Ca 0.23 -0.15 0.08 0.00 0.00 0.00 0.00 47.33 47.48 3kkb h GLY 64 CO -0.01 0.11 0.59 -0.55 0.00 0.00 0.00 176.54 176.67 3kkb h ASP 65 N 0.44 0.91 -0.02 0.19 3.32 -0.71 -1.48 116.42 119.07 3kkb h ASP 65 Ca 0.18 0.02 -0.19 0.00 0.02 0.00 0.00 57.03 57.06 3kkb h ASP 65 Cb 0.08 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3kkb h ASP 65 CO -0.12 0.56 -0.67 1.56 -1.72 0.00 0.00 179.24 178.84 3kkb h GLN 66 N 1.03 0.65 -0.38 3.56 4.20 -0.81 -1.77 115.11 121.59 3kkb h GLN 66 Ca 0.42 -0.48 -0.13 0.00 0.06 0.00 0.00 58.65 58.52 3kkb h GLN 66 Cb 0.24 0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 3kkb h GLN 66 CO -0.20 1.10 -0.30 -0.07 -0.67 0.00 0.00 178.83 178.69 3kkb h LEU 67 N 0.46 0.85 -0.33 1.46 -0.00 -0.88 -1.44 115.31 115.44 3kkb h LEU 67 Ca -0.02 -0.34 0.01 0.00 -0.00 0.00 0.00 57.88 57.53 3kkb h LEU 67 Cb 1.26 -0.24 -0.02 0.00 -0.00 0.00 0.00 40.66 41.67 3kkb h LEU 67 CO 0.13 1.09 0.20 0.58 -0.00 0.00 0.00 178.44 180.43 3kkb h VAL 68 N 0.69 1.04 -0.45 1.22 2.07 -1.15 -1.47 116.25 118.21 3kkb h VAL 68 Ca 0.08 -0.14 0.03 0.00 0.82 0.00 0.00 66.70 67.49 3kkb h VAL 68 Cb 0.84 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 3kkb h VAL 68 CO 0.07 0.07 0.26 0.40 0.02 0.00 0.00 177.57 178.39 3kkb h ILE 69 N 0.40 1.02 0.00 4.57 2.04 -1.15 -2.76 117.51 121.63 3kkb h ILE 69 Ca 0.13 -0.18 -0.03 0.00 1.00 0.00 0.00 64.86 65.78 3kkb h ILE 69 Cb -0.01 0.47 -0.00 0.00 -0.74 0.00 0.00 36.82 36.54 3kkb h ILE 69 CO -0.06 0.09 -0.14 -0.07 0.00 0.00 0.00 178.15 177.97 3kkb h LEU 70 N 0.51 0.00 -0.99 1.44 3.38 -0.89 -2.08 115.31 116.68 3kkb h LEU 70 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3kkb h LEU 70 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3kkb h LEU 70 CO -0.10 0.14 0.00 0.18 0.09 0.00 0.00 178.44 178.75 3kkb n LEU 71 N -3.65 1.52 -4.80 1.67 4.77 -0.59 -4.73 117.00 111.19 3kkb n LEU 71 Ca -0.02 -0.56 -0.32 0.00 -0.03 0.00 0.00 56.01 55.08 3kkb n LEU 71 Cb 0.27 -0.04 0.02 0.00 -2.33 0.00 0.00 43.42 41.33 3kkb n LEU 71 CO 0.31 0.28 0.72 -0.13 -1.33 0.00 0.00 177.39 177.24 3kkb s ARG 72 N -1.92 3.23 0.27 3.23 0.52 -0.78 -4.34 118.95 119.16 3kkb s ARG 72 Ca 0.36 1.19 -0.02 0.00 -0.52 0.00 0.00 55.73 56.74 3kkb s ARG 72 Cb 0.20 -2.02 0.43 0.00 0.52 0.00 0.00 34.95 34.08 3kkb s ARG 72 CO 0.31 -0.88 1.86 1.49 0.02 0.00 0.00 175.30 178.10 3kkb h GLU 73 N 0.26 1.06 -2.84 3.54 4.81 -1.80 -3.33 114.58 116.29 3kkb h GLU 73 Ca -0.46 -0.06 -0.60 0.00 -0.13 0.00 0.00 59.36 58.10 3kkb h GLU 73 Cb 1.22 -0.24 -0.40 0.00 0.63 0.00 0.00 28.75 29.96 3kkb h GLU 73 CO 0.57 0.70 -0.78 0.99 -0.73 0.00 0.00 179.01 179.77 3kkb s THR 74 N -6.02 1.15 0.23 0.32 2.01 -1.26 -4.77 115.64 107.29 3kkb s THR 74 Ca -0.12 -2.55 -0.31 0.00 0.31 0.00 0.00 61.69 59.02 3kkb s THR 74 Cb 0.20 -1.80 -0.11 0.00 0.01 0.00 0.00 72.50 70.81 3kkb s THR 74 CO 0.81 -0.97 1.55 -2.84 -0.69 0.00 0.00 174.62 172.48 3kkb s PRO 75 N 0.30 4.20 -0.58 4.92 0.02 -1.25 -4.92 135.00 137.68 3kkb s PRO 75 Ca 0.20 2.42 -0.28 0.00 0.02 0.00 0.00 61.00 63.37 3kkb s PRO 75 Cb -0.19 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.25 3kkb s PRO 75 CO -0.04 -0.57 1.45 0.34 -0.33 0.00 0.00 177.00 177.85 3kkb s ASP 76 N 0.72 6.05 0.40 2.53 -1.08 -1.26 -4.88 116.67 119.15 3kkb s ASP 76 Ca 0.65 0.22 0.06 0.00 -0.52 0.00 0.00 52.55 52.97 3kkb s ASP 76 Cb -0.45 -2.55 0.82 0.00 -1.46 0.00 0.00 42.92 39.29 3kkb s ASP 76 CO 0.40 -1.79 2.05 1.23 0.52 0.00 0.00 175.17 177.58 3kkb h GLY 77 N 13.41 0.62 0.86 2.66 0.00 -1.97 -1.05 103.07 117.59 3kkb h GLY 77 Ca -0.27 -0.24 -0.05 0.00 0.00 0.00 0.00 47.33 46.78 3kkb h GLY 77 CO 1.19 0.23 -0.01 1.46 0.00 0.00 0.00 176.54 179.41 3kkb h GLN 78 N 0.60 0.47 -0.85 4.80 7.50 -1.99 -1.11 115.11 124.52 3kkb h GLN 78 Ca 0.16 -0.16 -0.03 0.00 0.50 0.00 0.00 58.65 59.12 3kkb h GLN 78 Cb -0.05 -0.04 -0.04 0.00 0.05 0.00 0.00 27.48 27.40 3kkb h GLN 78 CO -0.03 0.65 0.41 0.00 -1.50 0.00 0.00 178.83 178.35 3kkb h ALA 79 N 0.81 1.11 -0.43 3.87 0.00 -1.89 -1.59 119.26 121.13 3kkb h ALA 79 Ca 0.07 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 3kkb h ALA 79 Cb 0.44 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3kkb h ALA 79 CO 0.02 0.67 0.26 1.25 0.00 0.00 0.00 179.25 181.45 3kkb h LEU 80 N 1.21 0.52 -0.59 0.00 5.85 -1.07 -1.86 115.31 119.37 3kkb h LEU 80 Ca 0.29 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.94 3kkb h LEU 80 Cb 0.12 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3kkb h LEU 80 CO -0.04 0.42 0.31 -0.33 -0.34 0.00 0.00 178.44 178.47 3kkb h GLU 81 N 0.57 0.83 -0.80 1.25 5.08 -0.81 -0.46 114.58 120.25 3kkb h GLU 81 Ca 0.15 -0.10 -0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3kkb h GLU 81 Cb -0.00 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 3kkb h GLU 81 CO -0.03 0.64 0.37 0.00 -1.00 0.00 0.00 179.01 178.99 3kkb h ARG 82 N 0.80 1.16 -0.43 2.33 3.08 -1.09 -0.59 114.38 119.64 3kkb h ARG 82 Ca 0.21 -0.18 -0.06 0.00 0.07 0.00 0.00 59.98 60.02 3kkb h ARG 82 Cb 0.06 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.89 3kkb h ARG 82 CO -0.03 0.91 0.04 1.03 -1.07 0.00 0.00 179.97 180.85 3kkb h SER 83 N 1.14 0.71 -0.36 7.04 0.87 -1.02 -0.64 113.55 121.29 3kkb h SER 83 Ca 0.27 -0.28 -0.09 0.00 -1.23 0.00 0.00 61.79 60.46 3kkb h SER 83 Cb 0.15 -0.19 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3kkb h SER 83 CO -0.03 0.81 -0.08 1.56 -0.53 0.00 0.00 176.83 178.56 3kkb h GLN 84 N 0.58 0.79 -0.36 2.24 4.20 -0.85 0.33 115.11 122.04 3kkb h GLN 84 Ca 0.13 -0.25 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 3kkb h GLN 84 Cb 0.43 -0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 3kkb h GLN 84 CO 0.01 0.85 -0.24 -0.91 -0.67 0.00 0.00 178.83 177.87 3kkb h ASN 85 N 0.72 0.72 -0.24 1.46 2.35 -1.00 -2.19 115.58 117.40 3kkb h ASN 85 Ca 0.13 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3kkb h ASN 85 Cb 0.55 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.71 3kkb h ASN 85 CO 0.03 0.94 0.15 -0.78 -1.65 0.00 0.00 177.43 176.12 3kkb h ASP 86 N 0.62 0.29 -0.40 5.81 3.58 -0.59 -0.33 116.42 125.40 3kkb h ASP 86 Ca 0.08 -0.05 0.07 0.00 0.42 0.00 0.00 57.03 57.56 3kkb h ASP 86 Cb 0.73 -0.07 -0.06 0.00 1.72 0.00 0.00 39.33 41.65 3kkb h ASP 86 CO 0.06 0.25 0.04 0.15 -2.88 0.00 0.00 179.24 176.85 3kkb h PHE 87 N 0.30 0.05 -0.67 0.28 3.57 -0.84 -0.04 116.94 119.58 3kkb h PHE 87 Ca 0.09 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.54 3kkb h PHE 87 Cb 0.01 0.04 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 3kkb h PHE 87 CO -0.05 -0.04 0.15 0.00 -2.23 0.00 0.00 178.31 176.14 3kkb h ARG 88 N 0.15 1.09 -0.33 1.11 3.08 -1.15 -0.36 114.38 117.97 3kkb h ARG 88 Ca 0.19 -0.27 0.01 0.00 0.07 0.00 0.00 59.98 59.98 3kkb h ARG 88 Cb 0.26 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 3kkb h ARG 88 CO -0.29 0.98 0.20 0.00 -1.07 0.00 0.00 179.97 179.79 3kkb h ARG 89 N 1.01 0.40 -0.61 0.04 3.08 -0.59 -0.63 114.38 117.07 3kkb h ARG 89 Ca 0.21 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 60.17 3kkb h ARG 89 Cb 0.39 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3kkb h ARG 89 CO 0.01 0.26 0.13 0.28 -1.07 0.00 0.00 179.97 179.58 3kkb h VAL 90 N 0.41 1.26 -0.31 2.04 2.07 -0.73 -1.82 116.25 119.17 3kkb h VAL 90 Ca 0.13 -0.95 -0.02 0.00 0.82 0.00 0.00 66.70 66.68 3kkb h VAL 90 Cb -0.02 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3kkb h VAL 90 CO -0.05 0.35 0.11 0.25 0.02 0.00 0.00 177.57 178.26 3kkb h LEU 91 N 0.90 0.43 -0.85 2.57 5.85 -0.90 -1.56 115.31 121.76 3kkb h LEU 91 Ca 0.19 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.65 3kkb h LEU 91 Cb 0.38 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3kkb h LEU 91 CO 0.01 0.49 -0.06 -0.33 -0.34 0.00 0.00 178.44 178.21 3kkb h GLU 92 N 0.35 0.79 -0.68 1.25 4.39 -1.02 0.95 114.58 120.61 3kkb h GLU 92 Ca 0.10 -0.24 -0.02 0.00 0.34 0.00 0.00 59.36 59.54 3kkb h GLU 92 Cb 0.20 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 28.75 3kkb h GLU 92 CO -0.01 0.84 0.36 0.37 -1.16 0.00 0.00 179.01 179.41 3kkb h GLN 93 N 0.72 0.96 -0.49 2.33 -0.00 -1.24 -0.14 115.11 117.25 3kkb h GLN 93 Ca 0.13 -0.12 -0.02 0.00 -0.00 0.00 0.00 58.65 58.64 3kkb h GLN 93 Cb 0.53 -0.18 -0.02 0.00 0.00 0.00 0.00 27.48 27.81 3kkb h GLN 93 CO 0.03 0.73 0.22 0.78 0.00 0.00 0.00 178.83 180.59 3kkb h GLY 94 N 0.93 0.77 1.47 2.39 0.00 -0.73 -2.43 103.07 105.47 3kkb h GLY 94 Ca 0.24 -0.40 -0.09 0.00 0.00 0.00 0.00 47.33 47.08 3kkb h GLY 94 CO -0.04 0.38 -0.15 3.21 0.00 0.00 0.00 176.54 179.94 3kkb h ARG 95 N 0.65 0.63 0.00 4.80 3.08 -0.48 -2.60 114.38 120.46 3kkb h ARG 95 Ca 0.17 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.95 3kkb h ARG 95 Cb 0.15 -0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.14 3kkb h ARG 95 CO -0.02 0.76 -0.26 0.00 -1.07 0.00 0.00 179.97 179.37 3kkb h ALA 96 N 1.27 1.08 0.00 0.04 0.00 -0.80 -3.21 119.26 117.64 3kkb h ALA 96 Ca 0.10 -0.24 -0.17 0.00 0.00 0.00 0.00 54.91 54.60 3kkb h ALA 96 Cb 0.58 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3kkb h ALA 96 CO 0.04 0.33 -1.28 -0.91 0.00 0.00 0.00 179.25 177.43 3kkb h ASN 97 N 0.00 0.00 -3.40 0.00 -0.26 -1.07 -3.48 115.58 107.37 3kkb h ASN 97 Ca -0.00 0.00 -0.54 0.00 -0.56 0.00 0.00 56.30 55.19 3kkb h ASN 97 Cb 0.71 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.95 3kkb h ASN 97 CO 0.03 0.62 0.33 -0.89 -1.06 0.00 0.00 177.43 176.46 3kkb s THR 98 N -2.90 4.90 -0.21 2.81 2.01 -1.03 -4.93 115.64 116.29 3kkb s THR 98 Ca -0.02 1.96 0.10 0.00 0.31 0.00 0.00 61.69 64.04 3kkb s THR 98 Cb 0.08 -4.27 -0.20 0.00 0.01 0.00 0.00 72.50 68.12 3kkb s THR 98 CO 0.80 0.17 -0.06 0.52 -0.69 0.00 0.00 174.62 175.36 3kkb n VAL 99 N 3.91 1.35 -1.67 3.82 0.31 -1.26 -4.88 118.33 119.90 3kkb n VAL 99 Ca 0.05 -0.69 -0.46 0.00 -0.01 0.00 0.00 64.34 63.23 3kkb n VAL 99 Cb 0.51 -0.87 -0.04 0.00 -0.91 0.00 0.00 33.84 32.53 3kkb n VAL 99 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3kkb n ASP 100 N -2.93 3.22 -0.16 4.52 2.03 -1.26 -4.86 116.55 117.11 3kkb n ASP 100 Ca -0.36 1.07 -0.09 0.00 0.52 0.00 0.00 54.79 55.92 3kkb n ASP 100 Cb 1.05 -1.44 -0.00 0.00 -0.72 0.00 0.00 41.12 40.01 3kkb n ASP 100 CO 0.00 0.00 0.00 0.77 -1.92 0.00 0.00 177.20 176.05 3kkb h SER 101 N 6.31 0.69 -0.53 1.67 4.64 -1.99 -0.51 113.55 123.83 3kkb h SER 101 Ca -0.45 -0.23 -0.10 0.00 -0.47 0.00 0.00 61.79 60.54 3kkb h SER 101 Cb 1.25 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 3kkb h SER 101 CO 0.90 0.74 -0.05 0.00 -0.87 0.00 0.00 176.83 177.55 3kkb h ALA 102 N 0.97 0.86 -0.37 5.18 0.00 -2.00 -1.92 119.26 121.98 3kkb h ALA 102 Ca 0.14 -0.32 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 3kkb h ALA 102 Cb 0.32 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3kkb h ALA 102 CO 0.00 0.66 -0.28 0.93 0.00 0.00 0.00 179.25 180.56 3kkb h GLU 103 N 0.91 0.77 -0.48 0.00 5.08 -1.91 -1.74 114.58 117.21 3kkb h GLU 103 Ca 0.15 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 3kkb h GLU 103 Cb 0.60 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 3kkb h GLU 103 CO 0.04 0.95 0.28 0.37 -1.00 0.00 0.00 179.01 179.65 3kkb h GLN 104 N 0.66 0.67 -0.58 2.33 5.75 -0.95 -0.56 115.11 122.42 3kkb h GLN 104 Ca 0.08 -0.07 0.01 0.00 -0.15 0.00 0.00 58.65 58.51 3kkb h GLN 104 Cb 0.80 -0.13 -0.03 0.00 1.07 0.00 0.00 27.48 29.19 3kkb h GLN 104 CO 0.07 0.51 0.38 0.00 -2.65 0.00 0.00 178.83 177.14 3kkb h ALA 105 N 1.12 0.74 -0.57 3.38 0.00 -1.23 -0.32 119.26 122.38 3kkb h ALA 105 Ca 0.17 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.01 3kkb h ALA 105 Cb 0.03 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3kkb h ALA 105 CO -0.03 0.18 0.25 0.00 0.00 0.00 0.00 179.25 179.65 3kkb h ALA 106 N 1.21 0.74 -0.70 0.00 0.00 -1.01 -1.59 119.26 117.91 3kkb h ALA 106 Ca 0.21 -0.15 -0.07 0.00 0.00 0.00 0.00 54.91 54.91 3kkb h ALA 106 Cb -0.09 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.45 3kkb h ALA 106 CO -0.05 0.33 0.17 -0.07 0.00 0.00 0.00 179.25 179.64 3kkb h LEU 107 N 0.78 1.07 -1.02 0.00 3.38 -0.74 -0.89 115.31 117.88 3kkb h LEU 107 Ca 0.19 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.89 3kkb h LEU 107 Cb 0.17 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.61 3kkb h LEU 107 CO -0.02 1.02 0.27 0.44 0.09 0.00 0.00 178.44 180.25 3kkb h ASP 108 N 1.06 0.89 -0.68 -0.43 3.32 -0.85 -1.36 116.42 118.38 3kkb h ASP 108 Ca 0.22 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.10 3kkb h ASP 108 Cb 0.37 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 3kkb h ASP 108 CO 0.00 0.79 0.20 1.23 -1.72 0.00 0.00 179.24 179.74 3kkb h GLY 109 N 1.04 1.14 0.87 2.75 0.00 -0.74 -1.64 103.07 106.48 3kkb h GLY 109 Ca 0.23 -0.68 0.02 0.00 0.00 0.00 0.00 47.33 46.90 3kkb h GLY 109 CO -0.02 0.64 0.20 -2.08 0.00 0.00 0.00 176.54 175.28 3kkb h VAL 110 N 0.99 1.01 -0.50 4.60 2.07 -0.78 -0.95 116.25 122.70 3kkb h VAL 110 Ca 0.22 -0.14 0.06 0.00 0.82 0.00 0.00 66.70 67.66 3kkb h VAL 110 Cb 0.31 0.56 -0.06 0.00 -1.52 0.00 0.00 31.29 30.59 3kkb h VAL 110 CO -0.01 0.08 0.19 -0.09 0.02 0.00 0.00 177.57 177.76 3kkb h ARG 111 N 0.41 0.36 -0.31 1.57 2.43 -0.94 0.18 114.38 118.09 3kkb h ARG 111 Ca 0.15 -0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 3kkb h ARG 111 Cb 0.03 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.49 3kkb h ARG 111 CO -0.09 0.24 0.13 -0.44 -1.51 0.00 0.00 179.97 178.30 3kkb h ASP 112 N 0.38 0.42 -0.52 -3.80 3.32 -1.12 -2.38 116.42 112.72 3kkb h ASP 112 Ca 0.24 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.08 3kkb h ASP 112 Cb 0.24 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.65 3kkb h ASP 112 CO -0.23 0.46 0.15 0.00 -1.72 0.00 0.00 179.24 177.90 3kkb h ALA 113 N 0.98 1.20 -0.39 3.45 0.00 -0.81 -2.70 119.26 120.98 3kkb h ALA 113 Ca 0.10 -0.20 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3kkb h ALA 113 Cb 0.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 3kkb h ALA 113 CO -0.01 0.55 -0.09 -0.92 0.00 0.00 0.00 179.25 178.79 3kkb h TYR 114 N 0.83 0.73 -0.80 0.00 3.20 -0.46 -2.02 116.97 118.45 3kkb h TYR 114 Ca 0.18 -0.12 -0.04 0.00 3.14 0.00 0.00 58.73 61.90 3kkb h TYR 114 Cb 0.29 -0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.33 3kkb h TYR 114 CO 0.02 0.74 0.35 -0.07 -1.64 0.00 0.00 178.16 177.55 3kkb h LEU 115 N 0.62 1.09 -0.56 2.82 3.38 -1.11 0.11 115.31 121.65 3kkb h LEU 115 Ca 0.11 -0.16 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3kkb h LEU 115 Cb 0.52 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3kkb h LEU 115 CO 0.03 0.95 0.16 1.56 0.09 0.00 0.00 178.44 181.23 3kkb h GLN 116 N 1.16 0.89 -0.36 1.13 4.20 -1.27 -2.66 115.11 118.19 3kkb h GLN 116 Ca 0.27 -0.20 -0.04 0.00 0.06 0.00 0.00 58.65 58.74 3kkb h GLN 116 Cb 0.18 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.82 3kkb h GLN 116 CO -0.03 0.81 0.06 1.25 -0.67 0.00 0.00 178.83 180.25 3kkb h LEU 117 N 0.79 0.57 -1.38 1.46 5.85 -0.90 -2.81 115.31 118.89 3kkb h LEU 117 Ca 0.18 -0.26 0.21 0.00 0.84 0.00 0.00 57.88 58.85 3kkb h LEU 117 Cb 0.31 -0.15 -0.08 0.00 0.37 0.00 0.00 40.66 41.11 3kkb h LEU 117 CO -0.00 0.69 0.62 -0.61 -0.34 0.00 0.00 178.44 178.79 3kkb h GLN 118 N 0.44 0.47 0.00 1.25 5.75 -0.63 -1.40 115.11 121.00 3kkb h GLN 118 Ca 0.11 -0.03 -0.00 0.00 -0.15 0.00 0.00 58.65 58.58 3kkb h GLN 118 Cb 0.36 -0.11 -0.00 0.00 1.07 0.00 0.00 27.48 28.80 3kkb h GLN 118 CO 0.01 0.31 -0.02 0.00 -2.65 0.00 0.00 178.83 176.48 3kkb h ALA 119 N 1.61 1.65 0.00 3.38 0.00 -1.20 -2.01 119.26 122.69 3kkb h ALA 119 Ca 0.51 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.41 3kkb h ALA 119 Cb 1.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3kkb h ALA 119 CO -0.24 0.02 -0.33 0.72 0.00 0.00 0.00 179.25 179.43 3kkb n HIS 120 N -4.05 0.49 0.02 0.00 8.25 -0.53 -4.47 115.22 114.93 3kkb n HIS 120 Ca -0.03 0.14 -0.10 0.00 -0.26 0.00 0.00 57.72 57.47 3kkb n HIS 120 Cb 0.10 -0.65 -0.04 0.00 1.12 0.00 0.00 29.99 30.53 3kkb n HIS 120 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3kkb h THR 121 N 0.00 0.61 -0.84 1.59 2.02 -1.45 -2.93 112.91 111.91 3kkb h THR 121 Ca 0.00 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3kkb h THR 121 Cb 0.67 0.61 -0.06 0.00 -1.74 0.00 0.00 68.15 67.63 3kkb h THR 121 CO 0.00 0.00 0.52 -0.65 0.37 0.00 0.00 175.52 175.76 3kkb h PRO 122 N -0.21 0.95 -0.38 6.66 0.11 -1.79 -1.94 132.00 135.41 3kkb h PRO 122 Ca 0.08 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.04 3kkb h PRO 122 Cb 0.32 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.20 3kkb h PRO 122 CO -0.20 0.63 -0.12 0.00 -0.21 0.00 0.00 178.00 178.10 3kkb h ALA 123 N 1.38 1.09 0.00 -0.75 0.00 -1.83 -2.23 119.26 116.91 3kkb h ALA 123 Ca 0.35 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3kkb h ALA 123 Cb 0.11 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.73 3kkb h ALA 123 CO -0.15 0.56 -0.16 -0.07 0.00 0.00 0.00 179.25 179.43 3kkb h LEU 124 N 0.61 0.00 0.00 0.00 3.38 -1.19 -2.64 115.31 115.47 3kkb h LEU 124 Ca 0.11 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.95 3kkb h LEU 124 Cb 0.55 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.28 3kkb h LEU 124 CO 0.03 0.16 -0.98 -0.07 0.09 0.00 0.00 178.44 177.68 3kkb h LEU 125 N 0.00 0.00 -0.99 1.67 3.38 -0.96 -3.32 115.31 115.08 3kkb h LEU 125 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 3kkb h LEU 125 Cb 0.43 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 3kkb h LEU 125 CO 0.02 0.47 0.03 -0.33 0.09 0.00 0.00 178.44 178.72 3kkb h GLU 126 N 0.00 0.75 -1.93 1.13 5.08 -1.04 -3.40 114.58 115.17 3kkb h GLU 126 Ca -0.08 -0.18 -0.22 0.00 -1.00 0.00 0.00 59.36 57.88 3kkb h GLU 126 Cb 1.43 -0.10 -0.30 0.00 0.50 0.00 0.00 28.75 30.28 3kkb h GLU 126 CO 0.05 0.75 -0.54 0.00 -1.00 0.00 0.00 179.01 178.26 3kkb s ALA 127 N -5.03 -0.94 0.75 3.43 0.00 -1.22 -5.13 121.76 113.62 3kkb s ALA 127 Ca -0.09 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.22 3kkb s ALA 127 Cb 0.15 -1.82 0.00 0.00 0.00 0.00 0.00 23.12 21.45 3kkb s ALA 127 CO 0.80 -1.53 0.00 -0.35 0.00 0.00 0.00 175.76 174.68 3kkb n PRO 128 N 5.35 2.09 0.00 0.00 -0.04 -1.25 -4.78 135.00 136.37 3kkb n PRO 128 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 3kkb n PRO 128 Cb 0.49 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.95 3kkb n PRO 128 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3kkb n ALA 130 N -3.00 -0.18 0.03 0.55 0.00 -1.26 -5.11 120.51 111.54 3kkb n ALA 130 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3kkb n ALA 130 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 3kkb n ALA 130 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3kkb n ASP 131 N 0.00 0.19 -3.68 0.00 8.00 -1.26 -4.52 116.55 115.28 3kkb n ASP 131 Ca 0.00 0.05 -0.09 0.00 0.71 0.00 0.00 54.79 55.46 3kkb n ASP 131 Cb 0.00 1.65 -0.03 0.00 -0.02 0.00 0.00 41.12 42.72 3kkb n ASP 131 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kkb s ASN 132 N -4.67 0.03 0.00 -2.24 2.20 -1.26 -4.89 114.94 104.12 3kkb s ASN 132 Ca -0.06 -0.97 0.22 0.00 -0.94 0.00 0.00 52.86 51.11 3kkb s ASN 132 Cb 0.13 0.67 0.84 0.00 -2.00 0.00 0.00 41.25 40.89 3kkb s ASN 132 CO 0.88 -1.30 1.60 0.47 -2.94 0.00 0.00 177.10 175.81 3kkb n ASP 133 N -0.72 1.53 -0.13 3.54 8.00 -1.26 -4.16 116.55 123.35 3kkb n ASP 133 Ca -0.03 -1.65 -0.07 0.00 0.71 0.00 0.00 54.79 53.76 3kkb n ASP 133 Cb 0.61 -0.08 0.02 0.00 -0.02 0.00 0.00 41.12 41.65 3kkb n ASP 133 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 3kkb h GLY 134 N 5.00 0.58 1.03 0.44 0.00 -1.97 -1.07 103.07 107.08 3kkb h GLY 134 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 47.33 47.00 3kkb h GLY 134 CO 0.00 0.15 -0.40 -2.75 0.00 0.00 0.00 176.54 173.54 3kkb h PHE 135 N 0.49 0.94 -0.30 5.60 3.57 -1.90 -2.01 116.94 123.32 3kkb h PHE 135 Ca 0.17 -0.31 0.06 0.00 3.53 0.00 0.00 57.97 61.41 3kkb h PHE 135 Cb 0.02 -0.18 -0.05 0.00 2.79 0.00 0.00 35.95 38.52 3kkb h PHE 135 CO -0.08 1.10 -0.05 1.03 -2.23 0.00 0.00 178.31 178.08 3kkb h SER 136 N 0.51 -0.23 -0.33 0.41 0.87 -1.69 0.26 113.55 113.35 3kkb h SER 136 Ca 0.03 0.08 -0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3kkb h SER 136 Cb 1.00 0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 63.11 3kkb h SER 136 CO 0.09 -0.08 0.12 -0.33 -0.53 0.00 0.00 176.83 176.11 3kkb h GLU 137 N 0.03 0.50 -0.50 2.24 5.08 -1.15 -0.73 114.58 120.04 3kkb h GLU 137 Ca 0.14 -0.10 -0.10 0.00 -1.00 0.00 0.00 59.36 58.31 3kkb h GLU 137 Cb 0.21 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3kkb h GLU 137 CO -0.28 0.51 -0.08 0.00 -1.00 0.00 0.00 179.01 178.15 3kkb h ALA 138 N 0.96 0.91 -0.42 3.43 0.00 -1.20 -1.59 119.26 121.35 3kkb h ALA 138 Ca 0.11 -0.32 -0.03 0.00 0.00 0.00 0.00 54.91 54.67 3kkb h ALA 138 Cb 0.21 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3kkb h ALA 138 CO -0.01 0.63 0.16 0.35 0.00 0.00 0.00 179.25 180.39 3kkb h PHE 139 N 0.81 0.64 -0.06 0.00 3.57 -0.80 -2.30 116.94 118.81 3kkb h PHE 139 Ca 0.14 -0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.61 3kkb h PHE 139 Cb 0.60 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.13 3kkb h PHE 139 CO 0.04 0.57 -0.06 -0.97 -2.23 0.00 0.00 178.31 175.66 3kkb h ASN 140 N 0.53 -0.17 -0.75 0.41 -1.24 -0.99 0.10 115.58 113.48 3kkb h ASN 140 Ca 0.14 0.04 0.10 0.00 0.71 0.00 0.00 56.30 57.29 3kkb h ASN 140 Cb 0.20 0.09 -0.08 0.00 0.73 0.00 0.00 38.32 39.26 3kkb h ASN 140 CO -0.01 -0.08 0.37 1.23 -1.29 0.00 0.00 177.43 177.65 3kkb h GLY 141 N -0.07 1.14 0.64 1.57 0.00 -1.19 -1.23 103.07 103.94 3kkb h GLY 141 Ca 0.05 -0.23 -0.05 0.00 0.00 0.00 0.00 47.33 47.09 3kkb h GLY 141 CO -0.10 0.04 -0.16 -2.00 0.00 0.00 0.00 176.54 174.32 3kkb h LEU 142 N 0.61 0.29 -1.21 3.11 5.85 -1.11 -3.05 115.31 119.80 3kkb h LEU 142 Ca 0.38 -0.55 -0.08 0.00 0.84 0.00 0.00 57.88 58.46 3kkb h LEU 142 Cb 0.43 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 3kkb h LEU 142 CO -0.29 0.79 -0.32 0.08 -0.34 0.00 0.00 178.44 178.35 3kkb h ARG 143 N -0.20 0.12 -0.60 1.25 -0.00 -0.73 -1.86 114.38 112.36 3kkb h ARG 143 Ca 0.00 -0.04 -0.08 0.00 -0.00 0.00 0.00 59.98 59.86 3kkb h ARG 143 Cb 0.74 -0.01 -0.02 0.00 -0.00 0.00 0.00 29.97 30.68 3kkb h ARG 143 CO 0.04 0.44 0.06 -0.07 -0.00 0.00 0.00 179.97 180.43 3kkb h LEU 144 N 0.11 0.98 -0.73 0.08 3.38 -1.30 -0.55 115.31 117.28 3kkb h LEU 144 Ca 0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3kkb h LEU 144 Cb 0.63 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 3kkb h LEU 144 CO 0.05 1.02 0.33 0.03 0.09 0.00 0.00 178.44 179.96 3kkb h ARG 145 N 0.92 1.06 -0.59 1.13 3.08 -1.29 -0.51 114.38 118.18 3kkb h ARG 145 Ca 0.18 -0.17 -0.09 0.00 0.07 0.00 0.00 59.98 59.97 3kkb h ARG 145 Cb 0.48 -0.19 -0.02 0.00 0.08 0.00 0.00 29.97 30.32 3kkb h ARG 145 CO 0.02 0.85 0.03 -0.07 -1.07 0.00 0.00 179.97 179.72 3kkb h LEU 146 N 1.03 0.98 -0.32 3.04 3.38 -1.16 -2.38 115.31 119.88 3kkb h LEU 146 Ca 0.25 -0.26 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 3kkb h LEU 146 Cb 0.15 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 3kkb h LEU 146 CO -0.03 1.01 0.15 1.56 0.09 0.00 0.00 178.44 181.23 3kkb h GLN 147 N 0.93 0.46 -0.73 1.13 4.20 -0.79 -2.63 115.11 117.67 3kkb h GLN 147 Ca 0.17 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 58.83 3kkb h GLN 147 Cb 0.50 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 28.16 3kkb h GLN 147 CO 0.02 0.43 0.48 -0.44 -0.67 0.00 0.00 178.83 178.65 3kkb h ASP 148 N 0.38 0.81 -0.79 1.46 3.32 -1.00 -0.55 116.42 120.04 3kkb h ASP 148 Ca 0.11 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.14 3kkb h ASP 148 Cb 0.12 -0.19 -0.04 0.00 0.22 0.00 0.00 39.33 39.44 3kkb h ASP 148 CO -0.01 0.57 0.48 0.25 -1.72 0.00 0.00 179.24 178.82 3kkb h LEU 149 N 0.96 0.94 -0.57 1.55 5.85 -1.30 -0.33 115.31 122.41 3kkb h LEU 149 Ca 0.28 -0.06 -0.11 0.00 0.84 0.00 0.00 57.88 58.83 3kkb h LEU 149 Cb -0.06 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 3kkb h LEU 149 CO -0.08 0.72 -0.07 1.56 -0.34 0.00 0.00 178.44 180.23 3kkb h GLN 150 N 1.08 1.06 -0.85 1.25 4.20 -1.07 -1.94 115.11 118.83 3kkb h GLN 150 Ca 0.28 -0.37 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 3kkb h GLN 150 Cb -0.05 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.61 3kkb h GLN 150 CO -0.05 1.07 0.47 0.37 -0.67 0.00 0.00 178.83 180.02 3kkb h GLN 151 N 0.95 1.18 -0.58 1.46 4.15 -0.37 -0.26 115.11 121.63 3kkb h GLN 151 Ca 0.15 -0.13 -0.10 0.00 0.77 0.00 0.00 58.65 59.34 3kkb h GLN 151 Cb 0.64 -0.23 -0.02 0.00 0.21 0.00 0.00 27.48 28.07 3kkb h GLN 151 CO 0.04 0.86 -0.03 -0.07 -1.93 0.00 0.00 178.83 177.70 3kkb h LEU 152 N 1.19 1.03 -0.32 -2.39 3.38 -0.97 -1.99 115.31 115.23 3kkb h LEU 152 Ca 0.30 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.88 3kkb h LEU 152 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 3kkb h LEU 152 CO -0.05 1.10 -0.15 0.00 0.09 0.00 0.00 178.44 179.43 3kkb h ALA 153 N 1.00 0.46 -0.78 1.53 0.00 -0.89 -1.68 119.26 118.90 3kkb h ALA 153 Ca 0.16 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 3kkb h ALA 153 Cb 0.59 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3kkb h ALA 153 CO 0.04 0.36 0.40 -0.07 0.00 0.00 0.00 179.25 179.98 3kkb h LEU 154 N 0.44 1.00 -0.75 0.00 3.38 -1.05 -0.23 115.31 118.11 3kkb h LEU 154 Ca 0.07 -0.12 0.08 0.00 0.09 0.00 0.00 57.88 58.01 3kkb h LEU 154 Cb 0.68 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 41.11 3kkb h LEU 154 CO 0.05 0.83 0.41 0.00 0.09 0.00 0.00 178.44 179.82 3kkb h ALA 155 N 1.21 1.04 -0.52 1.53 0.00 -1.21 -1.69 119.26 119.62 3kkb h ALA 155 Ca 0.27 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.10 3kkb h ALA 155 Cb 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 3kkb h ALA 155 CO -0.04 0.05 -0.11 0.78 0.00 0.00 0.00 179.25 179.93 3kkb h GLY 156 N 0.71 1.05 0.98 0.00 0.00 -0.34 -1.30 103.07 104.17 3kkb h GLY 156 Ca 0.35 -0.84 -0.00 0.00 0.00 0.00 0.00 47.33 46.84 3kkb h GLY 156 CO -0.23 0.77 0.22 -2.22 0.00 0.00 0.00 176.54 175.07 3kkb h ILE 157 N 0.87 1.13 -0.23 2.60 2.04 -0.74 -2.09 117.51 121.09 3kkb h ILE 157 Ca 0.14 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.68 3kkb h ILE 157 Cb 0.66 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3kkb h ILE 157 CO 0.05 0.13 0.11 -1.28 0.00 0.00 0.00 178.15 177.16 3kkb h SER 158 N 0.48 0.30 -0.63 1.72 0.87 -1.14 0.23 113.55 115.38 3kkb h SER 158 Ca 0.13 -0.12 0.13 0.00 -1.23 0.00 0.00 61.79 60.70 3kkb h SER 158 Cb 0.02 -0.08 -0.10 0.00 -0.44 0.00 0.00 62.40 61.80 3kkb h SER 158 CO -0.02 0.34 0.03 -0.33 -0.53 0.00 0.00 176.83 176.31 3kkb h GLU 159 N 0.24 0.13 -0.31 2.24 5.08 -1.12 0.40 114.58 121.25 3kkb h GLU 159 Ca 0.08 -0.01 -0.12 0.00 -1.00 0.00 0.00 59.36 58.31 3kkb h GLU 159 Cb 0.12 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3kkb h GLU 159 CO -0.01 0.09 -0.29 0.00 -1.00 0.00 0.00 179.01 177.80 3kkb h ALA 160 N 1.56 0.91 0.21 3.43 0.00 -1.00 -1.51 119.26 122.86 3kkb h ALA 160 Ca 0.33 -0.39 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 3kkb h ALA 160 Cb 0.54 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3kkb h ALA 160 CO -0.52 0.62 -0.10 1.49 0.00 0.00 0.00 179.25 180.74 3kkb h GLU 161 N 0.55 -0.27 -0.70 0.00 4.22 0.09 -3.24 114.58 115.23 3kkb h GLU 161 Ca 0.07 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.49 3kkb h GLU 161 Cb 0.78 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 30.06 3kkb h GLU 161 CO 0.06 0.11 0.27 1.79 -2.18 0.00 0.00 179.01 179.06 3kkb h THR 162 N -0.77 1.24 0.00 0.32 1.35 -0.28 -0.59 112.91 114.19 3kkb h THR 162 Ca -0.03 -0.77 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 3kkb h THR 162 Cb 0.51 0.42 0.00 0.00 -1.73 0.00 0.00 68.15 67.34 3kkb h THR 162 CO 0.05 0.31 0.00 -1.20 -0.25 0.00 0.00 175.52 174.43 3kkb n SER 163 N -4.29 0.00 0.00 5.36 7.64 -0.57 -5.09 113.62 116.66 3kkb n SER 163 Ca 0.06 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.18 3kkb n SER 163 Cb 0.18 -0.33 0.00 0.00 -1.01 0.00 0.00 64.21 63.06 3kkb n SER 163 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03