#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3cec s ARG 14 N 0.00 3.56 0.72 7.34 1.70 -1.26 -5.00 118.95 126.01 3cec s ARG 14 Ca 0.00 1.37 -0.15 0.00 -0.47 0.00 0.00 55.73 56.48 3cec s ARG 14 Cb 0.00 -2.06 0.03 0.00 -0.57 0.00 0.00 34.95 32.36 3cec s ARG 14 CO 0.00 -0.63 1.20 -1.25 -1.08 0.00 0.00 175.30 173.54 3cec s PRO 15 N -3.48 2.19 -0.23 3.89 0.04 -1.26 -4.97 135.00 131.19 3cec s PRO 15 Ca 0.67 1.75 -0.27 0.00 0.04 0.00 0.00 61.00 63.19 3cec s PRO 15 Cb -0.18 -1.84 0.00 0.00 0.04 0.00 0.00 34.50 32.52 3cec s PRO 15 CO 0.26 -1.79 0.96 0.42 0.04 0.00 0.00 177.00 176.89 3cec s ILE 16 N -1.98 4.74 0.19 0.56 1.01 -1.26 -5.03 121.20 119.44 3cec s ILE 16 Ca 0.74 1.86 -0.30 0.00 0.00 0.00 0.00 60.65 62.96 3cec s ILE 16 Cb -0.29 -4.24 -0.08 0.00 0.01 0.00 0.00 42.46 37.86 3cec s ILE 16 CO 0.45 -0.13 0.99 -1.00 0.00 0.00 0.00 174.94 175.25 3cec s HIS 17 N 2.99 3.82 0.40 3.97 3.76 -1.26 -4.83 115.29 124.13 3cec s HIS 17 Ca 0.41 1.80 0.20 0.00 -0.15 0.00 0.00 55.06 57.32 3cec s HIS 17 Cb -0.15 -3.09 1.16 0.00 1.11 0.00 0.00 32.58 31.61 3cec s HIS 17 CO 0.07 0.07 1.72 -1.35 -0.85 0.00 0.00 174.74 174.40 3cec h PRO 18 N 4.75 0.31 -0.33 8.40 0.11 -1.90 0.30 132.00 143.65 3cec h PRO 18 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 3cec h PRO 18 Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3cec h PRO 18 CO 0.70 0.21 0.08 0.78 -0.21 0.00 0.00 178.00 179.56 3cec h GLY 19 N 0.32 0.52 1.51 -0.55 0.00 -1.83 -0.55 103.07 102.49 3cec h GLY 19 Ca 0.67 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.60 3cec h GLY 19 CO -0.37 0.25 -0.45 0.83 0.00 0.00 0.00 176.54 176.79 3cec h GLU 20 N 0.48 0.53 -0.25 4.80 5.08 -0.59 -0.77 114.58 123.85 3cec h GLU 20 Ca 0.11 -0.29 -0.11 0.00 -1.00 0.00 0.00 59.36 58.08 3cec h GLU 20 Cb 0.19 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.45 3cec h GLU 20 CO -0.00 0.87 -0.25 0.28 -1.00 0.00 0.00 179.01 178.91 3cec h VAL 21 N 0.43 1.31 -0.12 3.13 2.07 -1.11 -2.05 116.25 119.91 3cec h VAL 21 Ca 0.03 -1.42 0.02 0.00 0.82 0.00 0.00 66.70 66.14 3cec h VAL 21 Cb 0.96 1.66 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3cec h VAL 21 CO 0.08 0.45 0.02 0.40 0.02 0.00 0.00 177.57 178.54 3cec h ILE 22 N 0.33 0.95 -0.88 4.57 2.04 -1.01 -0.86 117.51 122.64 3cec h ILE 22 Ca 0.04 -0.03 0.08 0.00 1.00 0.00 0.00 64.86 65.95 3cec h ILE 22 Cb 0.82 0.87 -0.07 0.00 -0.74 0.00 0.00 36.82 37.69 3cec h ILE 22 CO 0.06 0.01 0.54 0.00 0.00 0.00 0.00 178.15 178.77 3cec h ALA 23 N 1.09 1.24 -0.44 1.87 0.00 -1.04 -0.68 119.26 121.31 3cec h ALA 23 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 3cec h ALA 23 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3cec h ALA 23 CO -0.07 0.25 0.06 0.22 0.00 0.00 0.00 179.25 179.70 3cec h ASP 24 N 0.96 0.71 -0.34 0.00 3.58 -1.00 -0.55 116.42 119.78 3cec h ASP 24 Ca 0.40 -0.27 0.02 0.00 0.42 0.00 0.00 57.03 57.61 3cec h ASP 24 Cb 0.25 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 3cec h ASP 24 CO -0.20 0.80 0.17 0.40 -2.88 0.00 0.00 179.24 177.53 3cec h ILE 25 N 0.59 0.98 -0.35 2.25 2.04 -0.34 -0.97 117.51 121.72 3cec h ILE 25 Ca 0.13 -0.12 -0.08 0.00 1.00 0.00 0.00 64.86 65.80 3cec h ILE 25 Cb 0.40 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.07 3cec h ILE 25 CO 0.01 0.06 -0.10 -0.07 0.00 0.00 0.00 178.15 178.06 3cec h LEU 26 N 0.35 0.58 0.46 1.44 3.38 -0.89 -0.53 115.31 120.08 3cec h LEU 26 Ca 0.14 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 3cec h LEU 26 Cb 0.05 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.66 3cec h LEU 26 CO -0.10 0.71 -0.22 -0.78 0.09 0.00 0.00 178.44 178.14 3cec h ASP 27 N 0.55 -0.52 -0.77 -0.43 1.82 -0.75 0.24 116.42 116.55 3cec h ASP 27 Ca 0.10 0.02 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 3cec h ASP 27 Cb 0.50 0.13 -0.04 0.00 0.68 0.00 0.00 39.33 40.61 3cec h ASP 27 CO 0.03 -0.37 0.49 0.44 -1.61 0.00 0.00 179.24 178.21 3cec h ASP 28 N -0.61 0.92 1.63 2.28 3.32 -0.69 -1.19 116.42 122.07 3cec h ASP 28 Ca -0.06 -0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.95 3cec h ASP 28 Cb 0.47 -0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.79 3cec h ASP 28 CO 0.10 0.69 -0.02 -0.07 -1.72 0.00 0.00 179.24 178.23 3cec h LEU 29 N 1.07 0.00 -1.48 1.55 3.38 -0.81 -3.48 115.31 115.54 3cec h LEU 29 Ca 0.28 -0.00 -0.46 0.00 0.09 0.00 0.00 57.88 57.79 3cec h LEU 29 Cb -0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 3cec h LEU 29 CO -0.06 0.00 -0.81 -0.67 0.09 0.00 0.00 178.44 176.99 3cec n ASP 30 N -2.52 -2.42 -4.63 -0.43 2.03 0.79 -5.02 116.55 104.35 3cec n ASP 30 Ca 0.05 -0.85 -0.24 0.00 0.52 0.00 0.00 54.79 54.28 3cec n ASP 30 Cb 0.46 -3.76 -0.08 0.00 -0.72 0.00 0.00 41.12 37.03 3cec n ASP 30 CO 0.00 0.00 0.00 0.27 -1.92 0.00 0.00 177.20 175.55 3cec s ILE 31 N -3.57 3.02 0.55 5.18 -4.36 -0.85 -5.04 121.20 116.14 3cec s ILE 31 Ca 0.28 -1.96 0.08 0.00 -0.26 0.00 0.00 60.65 58.79 3cec s ILE 31 Cb -0.14 -2.79 0.06 0.00 1.25 0.00 0.00 42.46 40.85 3cec s ILE 31 CO 0.84 -0.30 0.64 0.54 0.24 0.00 0.00 174.94 176.90 3cec s ASN 32 N -3.69 4.97 0.23 4.36 2.20 -1.26 -4.56 114.94 117.19 3cec s ASN 32 Ca 0.33 -0.95 -0.04 0.00 -0.94 0.00 0.00 52.86 51.26 3cec s ASN 32 Cb -0.04 0.26 0.24 0.00 -2.00 0.00 0.00 41.25 39.71 3cec s ASN 32 CO 0.20 -1.21 1.68 0.71 -2.94 0.00 0.00 177.10 175.53 3cec h THR 33 N 0.41 1.26 -0.61 0.54 1.35 -1.98 -1.73 112.91 112.15 3cec h THR 33 Ca -0.33 -1.21 -0.06 0.00 -0.55 0.00 0.00 66.41 64.25 3cec h THR 33 Cb 1.29 1.08 -0.03 0.00 -1.73 0.00 0.00 68.15 68.77 3cec h THR 33 CO 0.47 0.41 0.13 0.00 -0.25 0.00 0.00 175.52 176.28 3cec h ALA 34 N 1.14 1.06 -0.56 6.62 0.00 -1.95 0.19 119.26 125.77 3cec h ALA 34 Ca 0.11 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 3cec h ALA 34 Cb 0.63 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3cec h ALA 34 CO 0.04 0.61 0.10 -0.91 0.00 0.00 0.00 179.25 179.09 3cec h ASN 35 N 0.93 0.88 0.20 0.00 -0.26 -1.87 -1.22 115.58 114.24 3cec h ASN 35 Ca 0.19 -0.26 -0.23 0.00 -0.56 0.00 0.00 56.30 55.45 3cec h ASN 35 Cb 0.37 -0.23 0.01 0.00 -1.06 0.00 0.00 38.32 37.40 3cec h ASN 35 CO 0.00 0.91 -0.91 0.15 -1.06 0.00 0.00 177.43 176.52 3cec h PHE 36 N 0.81 0.74 -0.55 1.19 3.57 -0.90 -2.35 116.94 119.44 3cec h PHE 36 Ca 0.17 -0.38 -0.02 0.00 3.53 0.00 0.00 57.97 61.26 3cec h PHE 36 Cb 0.40 -0.09 -0.03 0.00 2.79 0.00 0.00 35.95 39.02 3cec h PHE 36 CO 0.03 1.20 0.25 0.00 -2.23 0.00 0.00 178.31 177.56 3cec h ALA 37 N 0.68 1.41 -0.47 2.41 0.00 -0.44 -0.84 119.26 122.02 3cec h ALA 37 Ca -0.08 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.67 3cec h ALA 37 Cb 1.54 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3cec h ALA 37 CO 0.17 0.46 0.13 1.49 0.00 0.00 0.00 179.25 181.50 3cec h GLU 38 N 0.78 0.74 -0.41 0.00 4.81 -0.95 0.76 114.58 120.31 3cec h GLU 38 Ca 0.19 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 3cec h GLU 38 Cb 0.10 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3cec h GLU 38 CO -0.02 0.72 0.26 0.82 -0.73 0.00 0.00 179.01 180.05 3cec h ILE 39 N 0.62 1.12 0.00 2.32 2.04 -0.85 -3.02 117.51 119.75 3cec h ILE 39 Ca 0.15 -0.24 -0.06 0.00 1.00 0.00 0.00 64.86 65.71 3cec h ILE 39 Cb 0.30 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 3cec h ILE 39 CO -0.00 0.11 -0.27 -0.07 0.00 0.00 0.00 178.15 177.92 3cec h LEU 40 N 0.55 0.00 -0.74 1.44 3.38 -0.79 -3.48 115.31 115.67 3cec h LEU 40 Ca 0.15 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3cec h LEU 40 Cb -0.04 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.72 3cec h LEU 40 CO -0.03 0.27 -0.05 0.61 0.09 0.00 0.00 178.44 179.34 3cec n GLY 41 N 0.78 0.74 3.47 0.83 0.00 0.20 -4.93 105.19 106.27 3cec n GLY 41 Ca 0.02 -0.66 -0.23 0.00 0.00 0.00 0.00 46.02 45.15 3cec n GLY 41 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3cec s VAL 42 N -2.82 0.85 0.66 1.61 -7.23 -0.87 -5.06 120.40 107.55 3cec s VAL 42 Ca 0.03 -2.00 -0.11 0.00 -1.81 0.00 0.00 61.98 58.09 3cec s VAL 42 Cb -0.01 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.34 3cec s VAL 42 CO 0.04 0.00 1.05 -0.94 -0.31 0.00 0.00 175.10 174.94 3cec s SER 43 N -3.52 5.75 0.19 4.85 1.04 -1.26 -4.29 113.70 116.46 3cec s SER 43 Ca 0.31 1.50 -0.12 0.00 0.48 0.00 0.00 55.95 58.12 3cec s SER 43 Cb 0.06 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.84 3cec s SER 43 CO 0.15 -1.19 1.83 -1.13 0.98 0.00 0.00 173.24 173.88 3cec h ASN 44 N -0.54 0.80 -0.68 7.02 -1.24 -1.90 -2.25 115.58 116.78 3cec h ASN 44 Ca -0.44 -0.06 -0.01 0.00 0.71 0.00 0.00 56.30 56.50 3cec h ASN 44 Cb 1.20 -0.20 -0.03 0.00 0.73 0.00 0.00 38.32 40.02 3cec h ASN 44 CO 0.59 0.62 0.40 -0.61 -1.29 0.00 0.00 177.43 177.15 3cec h GLN 45 N 0.90 0.95 -0.45 6.67 4.15 -1.95 0.64 115.11 126.02 3cec h GLN 45 Ca 0.24 -0.09 -0.04 0.00 0.77 0.00 0.00 58.65 59.53 3cec h GLN 45 Cb -0.03 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.45 3cec h GLN 45 CO -0.04 0.67 0.11 1.15 -1.93 0.00 0.00 178.83 178.79 3cec h THR 46 N 0.96 1.23 -0.49 2.39 2.02 -1.80 -0.16 112.91 117.07 3cec h THR 46 Ca 0.25 -0.81 -0.12 0.00 0.77 0.00 0.00 66.41 66.50 3cec h THR 46 Cb -0.02 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.28 3cec h THR 46 CO -0.04 0.29 -0.17 0.40 0.37 0.00 0.00 175.52 176.36 3cec h ILE 47 N 0.60 1.27 -0.58 3.11 1.08 -0.93 -2.00 117.51 120.05 3cec h ILE 47 Ca 0.14 -1.33 -0.06 0.00 -0.39 0.00 0.00 64.86 63.22 3cec h ILE 47 Cb 0.32 1.09 -0.03 0.00 -3.07 0.00 0.00 36.82 35.14 3cec h ILE 47 CO 0.00 0.46 0.13 1.56 -0.69 0.00 0.00 178.15 179.61 3cec h GLN 48 N 0.84 0.91 -0.39 2.37 4.20 -0.68 -0.83 115.11 121.53 3cec h GLN 48 Ca 0.12 -0.20 -0.09 0.00 0.06 0.00 0.00 58.65 58.54 3cec h GLN 48 Cb 0.74 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.38 3cec h GLN 48 CO 0.06 0.82 -0.12 0.93 -0.67 0.00 0.00 178.83 179.86 3cec h GLU 49 N 0.87 0.68 -0.23 1.46 5.08 -0.67 0.08 114.58 121.85 3cec h GLU 49 Ca 0.19 -0.22 -0.05 0.00 -1.00 0.00 0.00 59.36 58.28 3cec h GLU 49 Cb 0.34 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 3cec h GLU 49 CO 0.00 0.78 -0.05 0.28 -1.00 0.00 0.00 179.01 179.02 3cec h VAL 50 N 0.62 1.28 -1.00 3.13 2.07 -0.83 0.46 116.25 121.98 3cec h VAL 50 Ca 0.11 -1.04 0.06 0.00 0.82 0.00 0.00 66.70 66.65 3cec h VAL 50 Cb 0.56 1.50 -0.06 0.00 -1.52 0.00 0.00 31.29 31.76 3cec h VAL 50 CO 0.03 0.32 0.65 0.40 0.02 0.00 0.00 177.57 178.99 3cec h ILE 51 N 0.17 1.11 -0.02 4.57 2.04 -0.86 -1.52 117.51 123.00 3cec h ILE 51 Ca 0.06 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 65.51 3cec h ILE 51 Cb 0.51 -0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3cec h ILE 51 CO 0.02 0.22 0.00 0.59 0.00 0.00 0.00 178.15 178.98 3cec n ASN 52 N -4.49 0.75 -0.86 1.72 3.02 -0.01 -4.34 115.26 111.04 3cec n ASN 52 Ca 0.15 -1.31 -0.10 0.00 -0.03 0.00 0.00 54.58 53.29 3cec n ASN 52 Cb 0.16 -0.01 -0.04 0.00 -0.61 0.00 0.00 39.78 39.28 3cec n ASN 52 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3cec n GLY 53 N 1.06 0.92 0.03 7.41 0.00 -0.57 -4.90 105.19 109.14 3cec n GLY 53 Ca 0.20 -0.54 0.11 0.00 0.00 0.00 0.00 46.02 45.79 3cec n GLY 53 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3cec n GLN 54 N -2.56 0.23 -4.07 1.61 6.02 0.10 -4.91 117.38 113.81 3cec n GLN 54 Ca -0.11 0.01 -0.16 0.00 -0.01 0.00 0.00 57.00 56.73 3cec n GLN 54 Cb 0.39 -1.59 -0.15 0.00 1.02 0.00 0.00 30.24 29.91 3cec n GLN 54 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 3cec s ARG 55 N -3.16 0.38 0.49 -1.09 3.52 -0.90 -4.96 118.95 113.24 3cec s ARG 55 Ca 0.05 -0.10 -0.17 0.00 -0.13 0.00 0.00 55.73 55.39 3cec s ARG 55 Cb 0.15 -0.41 -0.08 0.00 -1.56 0.00 0.00 34.95 33.04 3cec s ARG 55 CO 0.78 0.02 0.96 -1.12 -0.81 0.00 0.00 175.30 175.14 3cec s SER 56 N 0.25 6.66 0.01 -2.12 0.01 -1.26 -4.29 113.70 112.97 3cec s SER 56 Ca -0.02 1.55 -0.30 0.00 1.31 0.00 0.00 55.95 58.49 3cec s SER 56 Cb -0.06 -2.50 -0.07 0.00 0.21 0.00 0.00 66.02 63.60 3cec s SER 56 CO -0.00 -0.54 1.65 -0.63 0.41 0.00 0.00 173.24 174.13 3cec s ILE 57 N -2.54 3.31 0.59 1.44 -1.09 -1.26 -5.00 121.20 116.64 3cec s ILE 57 Ca 0.59 0.59 -0.01 0.00 -2.23 0.00 0.00 60.65 59.59 3cec s ILE 57 Cb -0.10 -3.38 0.04 0.00 -1.58 0.00 0.00 42.46 37.44 3cec s ILE 57 CO 0.29 -0.02 0.84 0.42 -1.23 0.00 0.00 174.94 175.23 3cec s THR 58 N 3.28 2.71 0.21 2.92 -4.23 -1.26 -4.92 115.64 114.36 3cec s THR 58 Ca 0.74 -0.50 -0.10 0.00 -1.18 0.00 0.00 61.69 60.65 3cec s THR 58 Cb -0.37 -3.06 0.14 0.00 1.34 0.00 0.00 72.50 70.55 3cec s THR 58 CO 0.31 -0.05 1.85 0.58 -0.54 0.00 0.00 174.62 176.77 3cec h VAL 59 N -0.11 1.10 -0.39 2.29 2.07 -1.99 0.18 116.25 119.41 3cec h VAL 59 Ca -0.43 -0.30 0.06 0.00 0.82 0.00 0.00 66.70 66.86 3cec h VAL 59 Cb 1.30 0.16 -0.06 0.00 -1.52 0.00 0.00 31.29 31.17 3cec h VAL 59 CO 0.55 0.16 0.05 -0.78 0.02 0.00 0.00 177.57 177.57 3cec h ASP 60 N 0.86 -0.05 -0.61 0.57 1.82 -1.99 0.53 116.42 117.55 3cec h ASP 60 Ca 0.28 0.08 -0.08 0.00 -0.39 0.00 0.00 57.03 56.92 3cec h ASP 60 Cb 0.01 0.12 -0.03 0.00 0.68 0.00 0.00 39.33 40.11 3cec h ASP 60 CO -0.11 0.01 0.08 0.40 -1.61 0.00 0.00 179.24 178.02 3cec h ILE 61 N 0.17 1.26 -0.83 2.25 2.04 -1.81 -1.62 117.51 118.98 3cec h ILE 61 Ca 0.19 -1.03 -0.02 0.00 1.00 0.00 0.00 64.86 64.99 3cec h ILE 61 Cb 0.24 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.97 3cec h ILE 61 CO -0.27 0.38 0.42 0.00 0.00 0.00 0.00 178.15 178.68 3cec h ALA 62 N 1.11 1.06 -0.56 1.87 0.00 -0.40 0.30 119.26 122.63 3cec h ALA 62 Ca 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 3cec h ALA 62 Cb 0.45 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 3cec h ALA 62 CO 0.01 0.60 0.26 0.82 0.00 0.00 0.00 179.25 180.94 3cec h ILE 63 N 1.16 1.21 -0.44 0.00 1.08 -0.63 0.57 117.51 120.45 3cec h ILE 63 Ca 0.29 -0.62 -0.07 0.00 -0.39 0.00 0.00 64.86 64.07 3cec h ILE 63 Cb 0.08 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 34.39 3cec h ILE 63 CO -0.04 0.25 0.01 0.03 -0.69 0.00 0.00 178.15 177.70 3cec h ARG 64 N 0.77 0.78 -0.43 2.37 3.08 -0.81 -1.08 114.38 119.05 3cec h ARG 64 Ca 0.19 -0.25 0.01 0.00 0.07 0.00 0.00 59.98 60.00 3cec h ARG 64 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3cec h ARG 64 CO -0.02 0.84 0.28 -0.07 -1.07 0.00 0.00 179.97 179.93 3cec h LEU 65 N 0.63 0.48 -0.43 3.04 3.38 -0.74 -0.08 115.31 121.59 3cec h LEU 65 Ca 0.13 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 3cec h LEU 65 Cb 0.48 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 3cec h LEU 65 CO 0.02 0.35 0.28 1.23 0.09 0.00 0.00 178.44 180.41 3cec h GLY 66 N 0.57 0.61 0.69 0.83 0.00 -0.60 -0.30 103.07 104.86 3cec h GLY 66 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3cec h GLY 66 CO -0.04 0.20 -0.21 0.50 0.00 0.00 0.00 176.54 176.99 3cec h LYS 67 N 0.56 0.32 -0.64 4.80 1.57 -0.89 -0.10 116.57 122.19 3cec h LYS 67 Ca 0.16 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.66 3cec h LYS 67 Cb -0.04 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.27 3cec h LYS 67 CO -0.05 0.81 0.13 0.00 -0.57 0.00 0.00 179.45 179.77 3cec h ALA 68 N 0.51 1.01 0.00 3.86 0.00 -0.82 -3.19 119.26 120.62 3cec h ALA 68 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3cec h ALA 68 Cb 0.81 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.35 3cec h ALA 68 CO 0.05 0.64 -1.48 1.28 0.00 0.00 0.00 179.25 179.74 3cec n LEU 69 N -4.23 0.42 -0.86 0.00 4.77 -0.14 -4.99 117.00 111.97 3cec n LEU 69 Ca 0.05 0.11 -0.07 0.00 -0.03 0.00 0.00 56.01 56.07 3cec n LEU 69 Cb 0.27 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 3cec n LEU 69 CO 0.42 -0.06 -0.06 0.61 -1.33 0.00 0.00 177.39 176.97 3cec n GLY 70 N 1.25 0.15 0.00 -0.72 0.00 -0.09 -4.94 105.19 100.84 3cec n GLY 70 Ca -0.02 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.43 3cec n GLY 70 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3cec n ASN 71 N 0.64 1.55 -0.19 1.61 0.23 -0.95 -5.03 115.26 113.12 3cec n ASN 71 Ca -0.07 -1.56 0.02 0.00 -0.53 0.00 0.00 54.58 52.45 3cec n ASN 71 Cb 0.55 0.00 -0.01 0.00 -2.08 0.00 0.00 39.78 38.24 3cec n ASN 71 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3cec n GLY 72 N -0.28 -2.57 0.15 4.83 0.00 -1.12 -4.58 105.19 101.62 3cec n GLY 72 Ca 0.00 -1.41 0.04 0.00 0.00 0.00 0.00 46.02 44.65 3cec n GLY 72 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3cec h PRO 73 N -0.19 0.00 -0.06 1.61 0.13 -1.88 -3.36 132.00 128.24 3cec h PRO 73 Ca -0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.98 3cec h PRO 73 Cb 0.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.30 3cec h PRO 73 CO 0.01 0.43 -0.51 0.00 -0.23 0.00 0.00 178.00 177.70 3cec h ARG 74 N 0.00 0.17 -0.73 0.86 2.47 -1.89 -1.45 114.38 113.81 3cec h ARG 74 Ca -0.00 -0.10 0.12 0.00 -1.26 0.00 0.00 59.98 58.74 3cec h ARG 74 Cb 1.33 0.01 -0.09 0.00 -1.65 0.00 0.00 29.97 29.57 3cec h ARG 74 CO 0.06 0.65 0.31 1.25 0.56 0.00 0.00 179.97 182.79 3cec h LEU 75 N 0.14 0.32 -0.08 3.04 6.46 -1.81 0.21 115.31 123.59 3cec h LEU 75 Ca 0.00 0.09 -0.11 0.00 -0.12 0.00 0.00 57.88 57.74 3cec h LEU 75 Cb 0.95 0.05 0.01 0.00 -0.73 0.00 0.00 40.66 40.94 3cec h LEU 75 CO 0.08 0.15 -0.39 -0.50 -0.62 0.00 0.00 178.44 177.15 3cec h TRP 76 N 0.48 0.55 -0.58 1.25 4.06 -1.64 -1.31 115.95 118.76 3cec h TRP 76 Ca 0.38 -0.24 -0.05 0.00 2.06 0.00 0.00 58.89 61.04 3cec h TRP 76 Cb 0.53 -0.08 -0.03 0.00 -1.00 0.00 0.00 29.16 28.58 3cec h TRP 76 CO -0.15 1.00 0.17 -0.07 -3.56 0.00 0.00 178.44 175.82 3cec h LEU 77 N -0.06 0.82 -0.35 -4.49 3.38 -1.06 -2.05 115.31 111.50 3cec h LEU 77 Ca -0.03 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3cec h LEU 77 Cb 1.05 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 3cec h LEU 77 CO 0.08 0.78 0.06 0.78 0.09 0.00 0.00 178.44 180.24 3cec h ASN 78 N 0.85 0.55 -0.43 -0.43 2.35 -0.40 0.14 115.58 118.22 3cec h ASN 78 Ca 0.19 -0.25 0.08 0.00 -0.55 0.00 0.00 56.30 55.77 3cec h ASN 78 Cb 0.27 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.43 3cec h ASN 78 CO -0.01 0.66 0.01 -0.07 -1.65 0.00 0.00 177.43 176.37 3cec h LEU 79 N 0.41 -0.17 -0.33 1.61 3.38 -1.09 -1.52 115.31 117.60 3cec h LEU 79 Ca 0.11 0.10 -0.10 0.00 0.09 0.00 0.00 57.88 58.08 3cec h LEU 79 Cb 0.34 0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 3cec h LEU 79 CO 0.01 -0.05 -0.18 -0.61 0.09 0.00 0.00 178.44 177.70 3cec h GLN 80 N 0.12 0.71 -0.91 1.13 5.75 -1.00 -2.46 115.11 118.44 3cec h GLN 80 Ca 0.21 -0.32 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 3cec h GLN 80 Cb 0.31 -0.02 -0.04 0.00 1.07 0.00 0.00 27.48 28.80 3cec h GLN 80 CO -0.35 0.92 0.58 0.37 -2.65 0.00 0.00 178.83 177.70 3cec h GLN 81 N 0.48 1.21 -0.68 1.69 5.75 -0.42 -0.47 115.11 122.67 3cec h GLN 81 Ca 0.07 -0.09 -0.08 0.00 -0.15 0.00 0.00 58.65 58.40 3cec h GLN 81 Cb 0.72 -0.26 -0.03 0.00 1.07 0.00 0.00 27.48 28.98 3cec h GLN 81 CO 0.05 0.82 0.11 0.87 -2.65 0.00 0.00 178.83 178.04 3cec h LYS 82 N 1.24 1.12 -0.25 1.69 1.57 -1.04 -0.38 116.57 120.51 3cec h LYS 82 Ca 0.33 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3cec h LYS 82 Cb -0.10 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3cec h LYS 82 CO -0.07 1.02 0.14 0.28 -0.57 0.00 0.00 179.45 180.25 3cec h VAL 83 N 1.04 1.12 -0.51 0.50 2.07 -0.99 -1.64 116.25 117.84 3cec h VAL 83 Ca 0.21 -0.31 0.01 0.00 0.82 0.00 0.00 66.70 67.42 3cec h VAL 83 Cb 0.44 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 3cec h VAL 83 CO 0.01 0.12 0.33 0.44 0.02 0.00 0.00 177.57 178.49 3cec h ASP 84 N 0.29 0.56 -0.54 0.57 3.32 -0.61 -1.27 116.42 118.76 3cec h ASP 84 Ca 0.09 -0.01 -0.10 0.00 0.02 0.00 0.00 57.03 57.02 3cec h ASP 84 Cb 0.06 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.46 3cec h ASP 84 CO -0.01 0.41 -0.07 0.25 -1.72 0.00 0.00 179.24 178.09 3cec h LEU 85 N 0.67 1.00 -0.47 1.55 5.85 -1.01 -0.94 115.31 121.96 3cec h LEU 85 Ca 0.19 -0.34 -0.01 0.00 0.84 0.00 0.00 57.88 58.57 3cec h LEU 85 Cb -0.06 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.68 3cec h LEU 85 CO -0.05 1.10 0.27 -0.25 -0.34 0.00 0.00 178.44 179.17 3cec h TRP 86 N 0.88 0.64 -0.10 1.25 7.01 -0.74 0.22 115.95 125.11 3cec h TRP 86 Ca 0.14 -0.01 -0.10 0.00 2.11 0.00 0.00 58.89 61.03 3cec h TRP 86 Cb 0.63 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 27.47 3cec h TRP 86 CO 0.04 0.47 -0.40 1.88 -2.79 0.00 0.00 178.44 177.64 3cec h TYR 87 N 0.63 0.26 -0.25 2.65 0.05 -1.15 0.39 116.97 119.54 3cec h TYR 87 Ca 0.17 -0.07 -0.09 0.00 0.05 0.00 0.00 58.73 58.79 3cec h TYR 87 Cb 0.03 -0.06 -0.00 0.00 1.01 0.00 0.00 36.73 37.71 3cec h TYR 87 CO -0.02 0.59 -0.21 0.00 -1.05 0.00 0.00 178.16 177.47 3cec h ALA 88 N 1.40 0.37 -0.31 3.88 0.00 -0.11 -1.32 119.26 123.17 3cec h ALA 88 Ca 0.02 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 3cec h ALA 88 Cb 0.79 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 3cec h ALA 88 CO 0.06 0.31 -0.25 -0.07 0.00 0.00 0.00 179.25 179.31 3cec h LEU 89 N 0.31 0.63 -0.76 0.00 3.38 -0.37 -0.57 115.31 117.93 3cec h LEU 89 Ca 0.05 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.72 3cec h LEU 89 Cb 0.76 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.31 3cec h LEU 89 CO 0.05 0.86 0.11 1.56 0.09 0.00 0.00 178.44 181.12 3cec h GLN 90 N 0.54 1.05 -0.31 1.13 1.08 -0.78 -0.75 115.11 117.07 3cec h GLN 90 Ca 0.08 -0.27 -0.17 0.00 -1.45 0.00 0.00 58.65 56.84 3cec h GLN 90 Cb 0.72 -0.13 -0.00 0.00 -0.05 0.00 0.00 27.48 28.01 3cec h GLN 90 CO 0.05 0.96 -0.48 1.03 -0.95 0.00 0.00 178.83 179.44 3cec h SER 91 N 0.99 0.91 -0.36 1.46 0.87 -0.78 -1.43 113.55 115.21 3cec h SER 91 Ca 0.20 -0.46 -0.12 0.00 -1.23 0.00 0.00 61.79 60.18 3cec h SER 91 Cb 0.42 -0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 3cec h SER 91 CO 0.01 1.24 -0.23 -0.74 -0.53 0.00 0.00 176.83 176.58 3cec h HIS 92 N 0.66 0.98 -0.25 2.24 -0.00 -0.78 -0.53 115.15 117.47 3cec h HIS 92 Ca 0.03 -0.23 -0.06 0.00 -0.00 0.00 0.00 60.37 60.11 3cec h HIS 92 Cb 1.07 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.24 3cec h HIS 92 CO 0.06 1.00 -0.06 -0.22 -0.00 0.00 0.00 177.93 178.71 3cec h LYS 93 N 0.74 0.48 -0.73 5.26 3.64 -0.72 -1.33 116.57 123.90 3cec h LYS 93 Ca 0.10 -0.18 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 3cec h LYS 93 Cb 0.77 -0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 32.53 3cec h LYS 93 CO 0.06 0.70 0.46 0.93 -2.27 0.00 0.00 179.45 179.34 3cec h GLU 94 N 0.22 0.98 -0.39 1.90 5.08 -1.10 0.17 114.58 121.44 3cec h GLU 94 Ca 0.06 -0.07 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 3cec h GLU 94 Cb 0.53 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 3cec h GLU 94 CO 0.02 0.67 0.09 1.49 -1.00 0.00 0.00 179.01 180.28 3cec h GLU 95 N 1.00 0.63 0.09 2.33 4.81 -0.75 -1.34 114.58 121.34 3cec h GLU 95 Ca 0.27 -0.16 -0.26 0.00 -0.13 0.00 0.00 59.36 59.08 3cec h GLU 95 Cb -0.07 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.22 3cec h GLU 95 CO -0.05 0.66 -1.23 1.88 -0.73 0.00 0.00 179.01 179.54 3cec h TYR 96 N 0.48 0.33 -0.64 0.92 0.05 -1.07 -1.95 116.97 115.10 3cec h TYR 96 Ca 0.12 -0.24 -0.03 0.00 0.05 0.00 0.00 58.73 58.63 3cec h TYR 96 Cb 0.33 -0.01 -0.03 0.00 1.01 0.00 0.00 36.73 38.02 3cec h TYR 96 CO 0.02 1.20 0.30 1.05 -1.05 0.00 0.00 178.16 179.68 3cec h GLU 97 N 0.05 0.91 -0.45 4.88 4.11 -0.91 -2.49 114.58 120.69 3cec h GLU 97 Ca -0.12 -0.12 -0.05 0.00 0.07 0.00 0.00 59.36 59.14 3cec h GLU 97 Cb 1.92 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.98 3cec h GLU 97 CO 0.17 0.71 0.10 1.96 0.07 0.00 0.00 179.01 182.02 3cec h GLN 98 N 0.91 0.73 -0.96 1.06 4.20 -1.06 -1.29 115.11 118.71 3cec h GLN 98 Ca 0.22 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3cec h GLN 98 Cb 0.11 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 27.80 3cec h GLN 98 CO -0.03 0.74 0.00 0.28 -0.67 0.00 0.00 178.83 179.15 3cec n VAL 99 N -4.49 0.10 -1.50 -0.54 0.31 -0.75 -4.82 118.33 106.63 3cec n VAL 99 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3cec n VAL 99 Cb 0.22 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.81 3cec n VAL 99 CO 0.00 0.00 0.00 0.41 -1.32 0.00 0.00 176.83 175.92 3cec n THR 101 N 0.63 0.00 -3.53 2.52 -1.04 -0.49 -5.10 114.28 107.27 3cec n THR 101 Ca 0.00 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.64 3cec n THR 101 Cb 0.08 -0.09 -0.06 0.00 -1.82 0.00 0.00 70.33 68.44 3cec n THR 101 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 3cec s LEU 102 N -0.83 4.43 0.00 -4.42 1.43 -1.26 -5.18 118.68 112.85 3cec s LEU 102 Ca 0.00 0.90 0.23 0.00 -1.03 0.00 0.00 54.13 54.23 3cec s LEU 102 Cb 0.00 -2.71 0.18 0.00 0.03 0.00 0.00 46.19 43.69 3cec s LEU 102 CO 0.00 0.27 1.23 1.33 0.23 0.00 0.00 176.35 179.42