#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jth n ASN 2 N 0.00 0.00 -0.00 3.17 2.85 -1.26 -2.70 115.26 117.31 3jth n ASN 2 Ca 0.00 0.50 -0.12 0.00 -0.11 0.00 0.00 54.58 54.85 3jth n ASN 2 Cb 0.00 -0.50 -0.07 0.00 1.24 0.00 0.00 39.78 40.45 3jth n ASN 2 CO 0.00 0.00 0.00 0.17 -2.11 0.00 0.00 177.26 175.32 3jth h LEU 3 N 0.00 0.08 -1.32 1.20 -0.00 -2.10 -3.15 115.31 110.03 3jth h LEU 3 Ca 0.00 -0.18 -0.07 0.00 -0.00 0.00 0.00 57.88 57.63 3jth h LEU 3 Cb 0.16 -0.02 -0.01 0.00 -0.00 0.00 0.00 40.66 40.79 3jth h LEU 3 CO 0.00 0.24 -0.32 0.11 -0.00 0.00 0.00 178.44 178.48 3jth h LYS 4 N -0.08 0.04 -0.31 0.17 1.57 -2.01 -1.20 116.57 114.75 3jth h LYS 4 Ca 0.02 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 3jth h LYS 4 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3jth h LYS 4 CO -0.00 0.35 0.00 -0.25 -0.57 0.00 0.00 179.45 178.98 3jth n ASP 5 N -4.15 0.31 0.00 0.86 9.92 -1.19 -0.71 116.55 121.59 3jth n ASP 5 Ca -0.02 -0.65 0.00 0.00 -0.53 0.00 0.00 54.79 53.59 3jth n ASP 5 Cb 0.37 -0.16 0.00 0.00 -0.64 0.00 0.00 41.12 40.69 3jth n ASP 5 CO 0.00 0.00 0.00 1.21 0.13 0.00 0.00 177.20 178.54 3jth n GLU 7 N 0.30 0.00 0.04 -1.24 2.13 -0.46 -2.25 120.64 119.16 3jth n GLU 7 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 3jth n GLU 7 Cb 0.08 0.00 0.12 0.00 0.27 0.00 0.00 31.44 31.91 3jth n GLU 7 CO 0.00 0.00 0.00 1.96 -0.41 0.00 0.00 177.13 178.68 3jth h GLN 8 N 0.00 0.42 0.21 5.31 4.20 -1.19 -2.63 115.11 121.44 3jth h GLN 8 Ca 0.00 -0.24 -0.32 0.00 0.06 0.00 0.00 58.65 58.15 3jth h GLN 8 Cb 0.00 0.02 0.03 0.00 0.30 0.00 0.00 27.48 27.82 3jth h GLN 8 CO 0.00 0.82 -1.45 -0.91 -0.67 0.00 0.00 178.83 176.62 3jth h ASN 9 N 0.34 0.71 -0.67 1.46 2.35 -1.69 -2.58 115.58 115.50 3jth h ASN 9 Ca 0.02 -0.79 0.06 0.00 -0.55 0.00 0.00 56.30 55.04 3jth h ASN 9 Cb 0.98 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 39.08 3jth h ASN 9 CO 0.09 1.62 0.44 0.77 -1.65 0.00 0.00 177.43 178.70 3jth h SER 10 N 0.12 0.59 -0.44 5.81 4.64 -1.81 0.18 113.55 122.66 3jth h SER 10 Ca -0.23 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 3jth h SER 10 Cb 2.11 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 64.06 3jth h SER 10 CO 0.25 0.39 0.03 0.00 -0.87 0.00 0.00 176.83 176.62 3jth h ALA 11 N 1.64 0.58 -0.65 5.18 0.00 -1.42 -0.42 119.26 124.17 3jth h ALA 11 Ca 0.29 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 3jth h ALA 11 Cb 0.27 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3jth h ALA 11 CO -0.09 0.35 0.06 0.87 0.00 0.00 0.00 179.25 180.44 3jth h LYS 12 N 0.60 1.10 -0.28 0.00 1.57 -0.67 -2.13 116.57 116.76 3jth h LYS 12 Ca 0.13 -0.32 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 3jth h LYS 12 Cb 0.45 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.63 3jth h LYS 12 CO 0.02 1.03 0.10 0.00 -0.57 0.00 0.00 179.45 180.03 3jth h ALA 13 N 1.03 0.36 0.00 3.86 0.00 -0.57 -2.45 119.26 121.49 3jth h ALA 13 Ca 0.19 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 3jth h ALA 13 Cb 0.49 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 3jth h ALA 13 CO 0.02 -0.03 -0.00 0.28 0.00 0.00 0.00 179.25 179.52 3jth h VAL 14 N 0.29 0.87 0.36 0.00 2.07 -0.83 -0.50 116.25 118.51 3jth h VAL 14 Ca 0.09 -0.01 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3jth h VAL 14 Cb 0.21 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.99 3jth h VAL 14 CO -0.01 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 177.99 3jth h VAL 15 N 0.00 0.65 -0.39 2.57 2.07 -0.90 -1.01 116.25 119.24 3jth h VAL 15 Ca -0.00 -0.14 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3jth h VAL 15 Cb 0.01 0.73 -0.02 0.00 -1.52 0.00 0.00 31.29 30.48 3jth h VAL 15 CO 0.00 0.03 0.22 0.25 0.02 0.00 0.00 177.57 178.09 3jth h LEU 16 N -0.57 0.48 -0.47 2.57 5.85 -1.25 -2.65 115.31 119.27 3jth h LEU 16 Ca -0.05 -0.08 0.08 0.00 0.84 0.00 0.00 57.88 58.67 3jth h LEU 16 Cb 0.42 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.26 3jth h LEU 16 CO 0.08 0.42 0.07 -0.07 -0.34 0.00 0.00 178.44 178.61 3jth h LEU 17 N 0.50 -0.04 -0.89 2.25 4.07 -0.96 -1.93 115.31 118.30 3jth h LEU 17 Ca 0.14 0.09 -0.06 0.00 0.08 0.00 0.00 57.88 58.12 3jth h LEU 17 Cb 0.05 0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.89 3jth h LEU 17 CO -0.02 0.01 0.11 0.11 -1.08 0.00 0.00 178.44 177.57 3jth h LYS 18 N 0.20 0.93 -0.34 1.13 1.57 -1.11 -0.18 116.57 118.78 3jth h LYS 18 Ca 0.24 -0.22 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 3jth h LYS 18 Cb 0.32 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.50 3jth h LYS 18 CO -0.33 0.85 0.00 0.00 -0.57 0.00 0.00 179.45 179.41 3jth n ALA 19 N -2.46 1.36 -3.45 3.86 0.00 -0.73 -4.72 120.51 114.37 3jth n ALA 19 Ca 0.04 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.31 3jth n ALA 19 Cb 0.26 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.71 3jth n ALA 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jth n ALA 21 N 0.43 -1.92 -3.66 0.00 0.00 -0.08 -4.92 120.51 110.35 3jth n ALA 21 Ca 0.00 -0.21 -0.08 0.00 0.00 0.00 0.00 53.44 53.15 3jth n ALA 21 Cb 0.06 -0.71 -0.08 0.00 0.00 0.00 0.00 19.45 18.72 3jth n ALA 21 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3jth s ASN 22 N -3.12 -0.76 0.11 0.00 2.47 -1.26 -5.08 114.94 107.30 3jth s ASN 22 Ca 0.09 1.26 -0.28 0.00 0.42 0.00 0.00 52.86 54.36 3jth s ASN 22 Cb -0.05 1.25 -0.09 0.00 -1.45 0.00 0.00 41.25 40.91 3jth s ASN 22 CO 0.49 -0.22 1.46 -0.33 -3.72 0.00 0.00 177.10 174.78 3jth h GLU 23 N 7.22 -0.30 -0.64 0.43 5.08 -2.00 -0.57 114.58 123.80 3jth h GLU 23 Ca -0.30 0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3jth h GLU 23 Cb 1.19 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.48 3jth h GLU 23 CO 0.20 -0.20 0.29 0.00 -1.00 0.00 0.00 179.01 178.30 3jth h ARG 24 N -0.31 0.92 -0.34 2.33 2.47 -1.99 -1.24 114.38 116.22 3jth h ARG 24 Ca 0.07 -0.13 -0.08 0.00 -1.26 0.00 0.00 59.98 58.58 3jth h ARG 24 Cb 0.49 -0.17 -0.01 0.00 -1.65 0.00 0.00 29.97 28.63 3jth h ARG 24 CO -0.53 0.73 -0.10 0.00 0.56 0.00 0.00 179.97 180.63 3jth h ARG 25 N 0.91 0.67 -0.62 0.04 3.08 -1.87 -2.21 114.38 114.38 3jth h ARG 25 Ca 0.22 -0.27 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 3jth h ARG 25 Cb 0.13 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.12 3jth h ARG 25 CO -0.03 0.85 0.25 1.25 -1.07 0.00 0.00 179.97 181.22 3jth h LEU 26 N 0.45 0.87 -0.88 3.04 5.85 -0.84 0.26 115.31 124.06 3jth h LEU 26 Ca 0.08 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.66 3jth h LEU 26 Cb 0.61 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.37 3jth h LEU 26 CO 0.04 0.80 0.57 1.56 -0.34 0.00 0.00 178.44 181.07 3jth h GLN 27 N 0.88 1.07 -0.20 1.25 4.20 -1.16 0.38 115.11 121.51 3jth h GLN 27 Ca 0.21 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.82 3jth h GLN 27 Cb 0.21 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 3jth h GLN 27 CO -0.02 0.71 -0.01 0.82 -0.67 0.00 0.00 178.83 179.66 3jth h ILE 28 N 1.10 1.26 -0.73 2.54 2.04 -0.74 -3.03 117.51 119.94 3jth h ILE 28 Ca 0.35 -0.90 -0.00 0.00 1.00 0.00 0.00 64.86 65.30 3jth h ILE 28 Cb -0.00 1.45 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3jth h ILE 28 CO -0.12 0.28 0.44 -0.07 0.00 0.00 0.00 178.15 178.68 3jth h LEU 29 N 0.12 0.88 -1.97 1.44 3.38 0.18 -2.23 115.31 117.11 3jth h LEU 29 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3jth h LEU 29 Cb 0.41 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3jth h LEU 29 CO 0.01 0.68 0.00 0.00 0.09 0.00 0.00 178.44 179.23 3jth n LEU 32 N 0.93 0.00 -4.62 0.00 4.77 -0.84 -4.89 117.00 112.35 3jth n LEU 32 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 3jth n LEU 32 Cb 0.06 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.12 3jth n LEU 32 CO 0.00 0.00 1.73 -2.28 -1.33 0.00 0.00 177.39 175.51 3jth s HIS 33 N 0.00 1.29 -1.49 -1.77 2.46 -1.15 -2.60 115.29 112.04 3jth s HIS 33 Ca 0.00 0.26 -0.12 0.00 0.47 0.00 0.00 55.06 55.67 3jth s HIS 33 Cb 0.00 -4.03 0.07 0.00 -0.13 0.00 0.00 32.58 28.49 3jth s HIS 33 CO 0.00 -4.38 0.87 0.09 -2.47 0.00 0.00 174.74 168.85 3jth n ASN 34 N 10.22 -4.91 -3.55 9.88 5.03 -1.26 -4.96 115.26 125.71 3jth n ASN 34 Ca 0.26 -0.64 -0.07 0.00 0.87 0.00 0.00 54.58 55.01 3jth n ASN 34 Cb 0.44 -3.94 -0.02 0.00 -1.02 0.00 0.00 39.78 35.24 3jth n ASN 34 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3jth s GLN 35 N -6.39 0.63 -0.09 3.52 -2.07 -1.07 -5.16 119.66 109.04 3jth s GLN 35 Ca 0.58 -0.24 -0.02 0.00 -1.82 0.00 0.00 55.36 53.86 3jth s GLN 35 Cb -0.29 0.29 -0.03 0.00 -1.09 0.00 0.00 33.01 31.89 3jth s GLN 35 CO 0.71 -0.28 -0.01 -1.21 -1.32 0.00 0.00 175.29 173.18 3jth s GLU 36 N -2.85 3.02 0.02 9.60 2.02 -1.26 -4.60 118.70 124.64 3jth s GLU 36 Ca 0.07 -0.44 0.01 0.00 0.02 0.00 0.00 54.97 54.63 3jth s GLU 36 Cb -0.01 -2.77 -0.02 0.00 0.10 0.00 0.00 34.13 31.43 3jth s GLU 36 CO -0.07 0.65 -0.05 -0.51 0.02 0.00 0.00 175.26 175.30 3jth s LEU 37 N -0.73 2.19 0.56 1.80 1.43 -0.59 -4.89 118.68 118.44 3jth s LEU 37 Ca 0.11 -0.41 -0.02 0.00 -1.03 0.00 0.00 54.13 52.79 3jth s LEU 37 Cb -0.11 -0.07 0.03 0.00 0.03 0.00 0.00 46.19 46.06 3jth s LEU 37 CO 0.02 -0.18 0.81 -0.94 0.23 0.00 0.00 176.35 176.30 3jth s SER 38 N -1.15 5.37 0.21 2.29 1.04 -1.26 0.14 113.70 120.35 3jth s SER 38 Ca -0.09 0.26 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 3jth s SER 38 Cb -0.08 -1.21 0.30 0.00 0.10 0.00 0.00 66.02 65.13 3jth s SER 38 CO -0.00 -1.11 1.73 0.58 0.98 0.00 0.00 173.24 175.42 3jth h VAL 39 N -0.01 0.71 -0.38 5.02 2.07 -2.00 -1.31 116.25 120.35 3jth h VAL 39 Ca -0.44 -0.12 0.01 0.00 0.82 0.00 0.00 66.70 66.98 3jth h VAL 39 Cb 1.28 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3jth h VAL 39 CO 0.56 0.06 0.23 1.23 0.02 0.00 0.00 177.57 179.67 3jth h GLY 40 N 0.34 0.52 1.05 2.17 0.00 -1.94 0.30 103.07 105.52 3jth h GLY 40 Ca 0.32 -0.17 -0.04 0.00 0.00 0.00 0.00 47.33 47.43 3jth h GLY 40 CO -0.35 0.16 0.33 0.83 0.00 0.00 0.00 176.54 177.50 3jth h GLU 41 N 0.46 1.21 -0.19 4.80 5.08 -1.81 -2.49 114.58 121.64 3jth h GLU 41 Ca 0.15 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 3jth h GLU 41 Cb -0.01 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.04 3jth h GLU 41 CO -0.06 0.97 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.79 3jth h LEU 42 N 1.18 0.39 -1.04 1.33 3.38 -0.89 -1.53 115.31 118.13 3jth h LEU 42 Ca 0.27 -0.38 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 3jth h LEU 42 Cb 0.21 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3jth h LEU 42 CO -0.02 0.68 -0.30 0.00 0.09 0.00 0.00 178.44 178.89 3jth h ALA 44 N 1.41 0.14 0.00 0.00 0.00 -1.46 0.42 119.26 119.76 3jth h ALA 44 Ca 0.04 -0.71 0.00 0.00 0.00 0.00 0.00 54.91 54.24 3jth h ALA 44 Cb 0.67 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.52 3jth h ALA 44 CO 0.05 0.70 0.00 1.63 0.00 0.00 0.00 179.25 181.63 3jth n LYS 45 N -3.83 0.25 0.00 0.00 5.02 -0.58 -3.38 118.16 115.64 3jth n LYS 45 Ca -0.11 0.30 0.02 0.00 -2.02 0.00 0.00 58.31 56.49 3jth n LYS 45 Cb 0.89 -1.84 -0.01 0.00 -0.02 0.00 0.00 35.03 34.06 3jth n LYS 45 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3jth n LEU 46 N -2.28 0.51 -3.68 -0.35 4.77 -0.57 -5.01 117.00 110.39 3jth n LEU 46 Ca 0.04 -0.66 -0.22 0.00 -0.03 0.00 0.00 56.01 55.15 3jth n LEU 46 Cb 0.36 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.49 3jth n LEU 46 CO 0.27 0.12 -0.07 0.00 -1.33 0.00 0.00 177.39 176.37 3jth n GLN 47 N -0.68 -4.41 -5.08 3.23 3.00 0.14 -4.98 117.38 108.60 3jth n GLN 47 Ca 0.01 0.61 -0.32 0.00 -0.01 0.00 0.00 57.00 57.29 3jth n GLN 47 Cb 0.06 -5.10 -0.15 0.00 0.00 0.00 0.00 30.24 25.05 3jth n GLN 47 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.06 175.89 3jth s LEU 48 N -6.60 2.41 0.82 1.08 2.96 -0.57 -5.04 118.68 113.74 3jth s LEU 48 Ca 0.06 -0.35 -0.13 0.00 -0.22 0.00 0.00 54.13 53.50 3jth s LEU 48 Cb -0.02 -1.46 0.09 0.00 0.50 0.00 0.00 46.19 45.30 3jth s LEU 48 CO 0.81 0.31 1.20 -0.44 -1.32 0.00 0.00 176.35 176.91 3jth s SER 49 N -0.51 3.50 0.20 3.68 0.01 -1.26 -4.57 113.70 114.75 3jth s SER 49 Ca 0.07 2.34 -0.11 0.00 1.31 0.00 0.00 55.95 59.56 3jth s SER 49 Cb -0.11 -2.59 0.15 0.00 0.21 0.00 0.00 66.02 63.68 3jth s SER 49 CO 0.01 -2.72 1.85 1.56 0.41 0.00 0.00 173.24 174.34 3jth h GLN 50 N -1.03 0.80 -0.23 12.44 1.08 -1.97 -1.06 115.11 125.14 3jth h GLN 50 Ca -0.46 -0.05 -0.17 0.00 -1.45 0.00 0.00 58.65 56.53 3jth h GLN 50 Cb 1.29 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 28.54 3jth h GLN 50 CO 0.46 0.53 -0.54 0.66 -0.95 0.00 0.00 178.83 178.98 3jth h SER 51 N 0.82 0.74 -0.34 1.46 4.64 -1.98 0.57 113.55 119.46 3jth h SER 51 Ca 0.26 -0.39 -0.02 0.00 -0.47 0.00 0.00 61.79 61.17 3jth h SER 51 Cb -0.02 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.85 3jth h SER 51 CO -0.09 1.13 0.14 0.00 -0.87 0.00 0.00 176.83 177.14 3jth h ALA 52 N 0.88 0.44 -0.57 5.18 0.00 -1.86 -2.03 119.26 121.29 3jth h ALA 52 Ca 0.01 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 3jth h ALA 52 Cb 1.10 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 3jth h ALA 52 CO 0.11 0.03 0.29 1.25 0.00 0.00 0.00 179.25 180.93 3jth h LEU 53 N 0.40 0.73 -0.97 0.00 5.85 -1.10 -2.43 115.31 117.79 3jth h LEU 53 Ca 0.11 -0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.81 3jth h LEU 53 Cb 0.18 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 40.95 3jth h LEU 53 CO -0.01 0.64 0.61 0.28 -0.34 0.00 0.00 178.44 179.62 3jth h SER 54 N 0.78 0.93 0.06 1.25 0.02 -0.62 -0.01 113.55 115.96 3jth h SER 54 Ca 0.20 0.03 -0.00 0.00 -0.84 0.00 0.00 61.79 61.18 3jth h SER 54 Cb 0.09 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3jth h SER 54 CO -0.03 0.55 -0.03 1.56 -1.14 0.00 0.00 176.83 177.74 3jth h GLN 55 N 1.04 -0.08 -0.93 3.45 4.20 -0.97 -1.95 115.11 119.87 3jth h GLN 55 Ca 0.45 0.01 0.00 0.00 0.06 0.00 0.00 58.65 59.16 3jth h GLN 55 Cb 0.32 0.02 -0.05 0.00 0.30 0.00 0.00 27.48 28.07 3jth h GLN 55 CO -0.22 0.28 0.58 0.45 -0.67 0.00 0.00 178.83 179.25 3jth h HIS 56 N -0.45 1.20 -0.08 2.96 3.86 -1.17 -1.30 115.15 120.17 3jth h HIS 56 Ca -0.01 0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3jth h HIS 56 Cb 0.40 -0.40 -0.00 0.00 1.06 0.00 0.00 27.41 28.46 3jth h HIS 56 CO 0.05 0.78 0.03 -0.07 0.86 0.00 0.00 177.93 179.58 3jth h LEU 57 N 1.27 0.11 -0.56 2.43 3.38 -1.03 0.46 115.31 121.38 3jth h LEU 57 Ca 0.34 -0.16 0.09 0.00 0.09 0.00 0.00 57.88 58.24 3jth h LEU 57 Cb -0.09 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 3jth h LEU 57 CO -0.07 0.24 0.15 0.00 0.09 0.00 0.00 178.44 178.85 3jth h ALA 58 N 0.88 0.67 -0.18 1.53 0.00 -1.02 0.37 119.26 121.50 3jth h ALA 58 Ca 0.03 0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.05 3jth h ALA 58 Cb 0.16 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 3jth h ALA 58 CO -0.00 -0.27 0.11 2.35 0.00 0.00 0.00 179.25 181.44 3jth h TRP 59 N 0.30 0.20 -0.94 0.00 7.01 -0.93 -1.82 115.95 119.77 3jth h TRP 59 Ca 0.28 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.34 3jth h TRP 59 Cb 0.38 -0.06 -0.06 0.00 -2.10 0.00 0.00 29.16 27.31 3jth h TRP 59 CO -0.21 0.12 0.60 -0.07 -2.79 0.00 0.00 178.44 176.09 3jth h LEU 60 N 0.22 0.97 0.42 0.65 4.07 -0.02 -2.30 115.31 119.34 3jth h LEU 60 Ca 0.07 0.01 -0.02 0.00 0.08 0.00 0.00 57.88 58.02 3jth h LEU 60 Cb -0.01 -0.20 -0.01 0.00 1.08 0.00 0.00 40.66 41.52 3jth h LEU 60 CO -0.03 0.64 -0.35 0.03 -1.08 0.00 0.00 178.44 177.64 3jth h ARG 61 N 1.12 -0.73 -0.96 1.13 2.47 -0.55 -0.98 114.38 115.89 3jth h ARG 61 Ca 0.40 0.05 0.19 0.00 -1.26 0.00 0.00 59.98 59.35 3jth h ARG 61 Cb 0.11 0.17 -0.18 0.00 -1.65 0.00 0.00 29.97 28.42 3jth h ARG 61 CO -0.15 -0.49 -0.25 -2.13 0.56 0.00 0.00 179.97 177.51 3jth n ARG 62 N -4.55 -0.10 0.00 0.04 0.63 -0.72 0.30 116.66 112.26 3jth n ARG 62 Ca -0.09 1.49 0.05 0.00 -0.92 0.00 0.00 57.85 58.38 3jth n ARG 62 Cb 0.33 -2.23 0.27 0.00 0.45 0.00 0.00 32.46 31.29 3jth n ARG 62 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 3jth n ASP 63 N -5.55 0.00 -3.04 6.15 2.03 -0.90 -4.89 116.55 110.35 3jth n ASP 63 Ca 0.15 -1.69 -0.22 0.00 0.52 0.00 0.00 54.79 53.54 3jth n ASP 63 Cb 0.47 0.00 0.03 0.00 -0.72 0.00 0.00 41.12 40.90 3jth n ASP 63 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3jth n GLY 64 N 0.63 -0.52 0.02 0.27 0.00 0.86 -4.89 105.19 101.57 3jth n GLY 64 Ca 0.07 0.12 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3jth n GLY 64 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3jth n LEU 65 N -3.90 0.62 -3.96 0.99 4.77 -0.41 -3.77 117.00 111.35 3jth n LEU 65 Ca -0.10 -0.14 -0.10 0.00 -0.03 0.00 0.00 56.01 55.64 3jth n LEU 65 Cb 0.61 -0.07 -0.11 0.00 -2.33 0.00 0.00 43.42 41.52 3jth n LEU 65 CO 0.46 0.10 -0.32 -0.69 -1.33 0.00 0.00 177.39 175.61 3jth s VAL 66 N -3.18 0.10 0.42 4.08 1.01 -1.23 -1.04 120.40 120.56 3jth s VAL 66 Ca 0.04 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.21 3jth s VAL 66 Cb 0.15 -0.29 -0.03 0.00 0.00 0.00 0.00 36.38 36.22 3jth s VAL 66 CO 0.83 -0.46 0.09 -0.89 0.00 0.00 0.00 175.10 174.67 3jth s THR 67 N -1.40 0.82 0.32 3.92 2.01 0.37 -4.44 115.64 117.24 3jth s THR 67 Ca -0.15 -2.00 0.05 0.00 0.31 0.00 0.00 61.69 59.90 3jth s THR 67 Cb -0.09 -2.37 -0.06 0.00 0.01 0.00 0.00 72.50 69.98 3jth s THR 67 CO -0.00 0.00 0.02 0.42 -0.69 0.00 0.00 174.62 174.37 3jth s THR 68 N -3.13 1.38 -0.28 -0.82 -4.23 -1.26 -1.97 115.64 105.34 3jth s THR 68 Ca 0.21 -2.03 0.00 0.00 -1.18 0.00 0.00 61.69 58.69 3jth s THR 68 Cb 0.03 -2.70 0.17 0.00 1.34 0.00 0.00 72.50 71.34 3jth s THR 68 CO 0.12 -0.10 0.50 -0.60 -0.54 0.00 0.00 174.62 174.01 3jth s ARG 69 N -3.83 0.48 1.30 3.99 3.00 -0.13 -4.96 118.95 118.79 3jth s ARG 69 Ca 0.34 0.64 -0.22 0.00 -1.00 0.00 0.00 55.73 55.50 3jth s ARG 69 Cb 0.07 0.06 0.33 0.00 0.00 0.00 0.00 34.95 35.41 3jth s ARG 69 CO 0.14 -0.77 1.01 1.63 0.00 0.00 0.00 175.30 177.32 3jth n LYS 70 N 5.40 -3.68 0.00 5.12 4.01 -1.26 -0.60 118.16 127.14 3jth n LYS 70 Ca -0.00 -1.64 0.00 0.00 -0.51 0.00 0.00 58.31 56.15 3jth n LYS 70 Cb 0.51 -1.70 0.00 0.00 -0.51 0.00 0.00 35.03 33.33 3jth n LYS 70 CO 0.00 0.00 0.00 -1.91 -1.11 0.00 0.00 177.40 174.38 3jth n GLU 71 N -5.12 0.00 -3.79 1.97 4.07 -0.69 -4.76 120.64 112.32 3jth n GLU 71 Ca 0.15 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 57.00 3jth n GLU 71 Cb 0.59 0.00 -0.04 0.00 -0.06 0.00 0.00 31.44 31.93 3jth n GLU 71 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 3jth n ALA 72 N 0.00 -1.81 -0.88 4.31 0.00 -1.26 0.30 120.51 121.18 3jth n ALA 72 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.12 3jth n ALA 72 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 19.45 18.51 3jth n ALA 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3jth n GLN 73 N -3.46 0.00 -3.76 0.00 6.02 -1.26 -4.99 117.38 109.93 3jth n GLN 73 Ca -0.16 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.46 3jth n GLN 73 Cb 0.42 -2.61 -0.12 0.00 1.02 0.00 0.00 30.24 28.95 3jth n GLN 73 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3jth s THR 74 N -3.65 3.51 0.11 5.09 2.01 0.88 -5.09 115.64 118.50 3jth s THR 74 Ca 0.00 -1.61 -0.15 0.00 0.31 0.00 0.00 61.69 60.24 3jth s THR 74 Cb 0.00 -3.19 -0.07 0.00 0.01 0.00 0.00 72.50 69.25 3jth s THR 74 CO 0.00 -0.44 0.52 -0.69 -0.69 0.00 0.00 174.62 173.33 3jth s VAL 75 N 1.27 4.87 -0.08 3.82 1.01 -1.26 -1.70 120.40 128.33 3jth s VAL 75 Ca 0.02 0.89 0.03 0.00 0.00 0.00 0.00 61.98 62.92 3jth s VAL 75 Cb -0.22 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 3jth s VAL 75 CO -0.01 0.36 -0.19 -0.31 0.00 0.00 0.00 175.10 174.95 3jth s TYR 76 N -1.33 2.62 0.06 5.22 2.02 0.23 -4.08 117.35 122.10 3jth s TYR 76 Ca 0.34 -0.64 0.01 0.00 -0.37 0.00 0.00 57.07 56.41 3jth s TYR 76 Cb -0.16 -1.70 -0.04 0.00 -0.40 0.00 0.00 41.96 39.66 3jth s TYR 76 CO 0.18 -0.17 0.16 0.71 -1.57 0.00 0.00 175.55 174.87 3jth s TYR 77 N -0.04 3.40 0.14 2.71 1.51 0.12 -0.96 117.35 124.23 3jth s TYR 77 Ca -0.05 0.19 -0.16 0.00 -1.01 0.00 0.00 57.07 56.04 3jth s TYR 77 Cb -0.14 -1.71 0.03 0.00 -0.11 0.00 0.00 41.96 40.02 3jth s TYR 77 CO 0.04 0.57 0.42 -0.08 -1.11 0.00 0.00 175.55 175.39 3jth s THR 78 N -1.46 0.06 0.68 -0.71 -1.32 -0.83 -1.54 115.64 110.52 3jth s THR 78 Ca 0.33 -0.67 -0.15 0.00 -1.21 0.00 0.00 61.69 59.98 3jth s THR 78 Cb -0.13 -1.29 0.01 0.00 -1.51 0.00 0.00 72.50 69.58 3jth s THR 78 CO 0.25 -0.28 1.15 -0.76 -2.21 0.00 0.00 174.62 172.77 3jth s LEU 79 N -2.83 3.38 0.01 9.08 1.43 -1.26 -0.48 118.68 128.02 3jth s LEU 79 Ca 0.05 2.15 -0.02 0.00 -1.03 0.00 0.00 54.13 55.28 3jth s LEU 79 Cb 0.01 -4.57 -0.01 0.00 0.03 0.00 0.00 46.19 41.66 3jth s LEU 79 CO -0.09 -1.84 -0.03 1.17 0.23 0.00 0.00 176.35 175.78 3jth n LYS 80 N -2.46 0.05 -2.23 1.70 4.81 -0.20 -4.51 118.16 115.31 3jth n LYS 80 Ca 0.12 0.02 -0.40 0.00 -0.87 0.00 0.00 58.31 57.18 3jth n LYS 80 Cb 0.51 -0.35 -0.02 0.00 0.02 0.00 0.00 35.03 35.19 3jth n LYS 80 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 3jth s SER 81 N -5.13 6.70 0.42 3.14 1.04 -1.25 -4.93 113.70 113.69 3jth s SER 81 Ca -0.03 2.49 0.14 0.00 0.48 0.00 0.00 55.95 59.03 3jth s SER 81 Cb 0.00 -2.63 0.89 0.00 0.10 0.00 0.00 66.02 64.38 3jth s SER 81 CO 0.04 -0.56 1.93 -0.33 0.98 0.00 0.00 173.24 175.30 3jth h GLU 82 N 3.09 0.01 -0.00 4.02 4.39 -1.97 -2.39 114.58 121.74 3jth h GLU 82 Ca -0.49 -0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.21 3jth h GLU 82 Cb 1.23 -0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.88 3jth h GLU 82 CO 0.64 0.26 -0.00 0.93 -1.16 0.00 0.00 179.01 179.68 3jth h GLU 83 N 0.01 0.00 -0.69 2.33 3.07 -2.00 -2.26 114.58 115.04 3jth h GLU 83 Ca -0.00 -0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.80 3jth h GLU 83 Cb 0.45 -0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.33 3jth h GLU 83 CO 0.03 0.33 0.20 -0.24 -1.40 0.00 0.00 179.01 177.94 3jth h VAL 84 N -0.33 1.25 -0.59 3.13 3.04 -1.93 -2.65 116.25 118.18 3jth h VAL 84 Ca 0.00 -0.89 0.07 0.00 -1.01 0.00 0.00 66.70 64.88 3jth h VAL 84 Cb 0.33 0.51 -0.06 0.00 -2.01 0.00 0.00 31.29 30.05 3jth h VAL 84 CO 0.00 0.34 0.26 0.11 -1.01 0.00 0.00 177.57 177.28 3jth h LYS 85 N 1.02 0.47 -0.73 4.17 1.57 -1.38 0.38 116.57 122.07 3jth h LYS 85 Ca 0.22 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.97 3jth h LYS 85 Cb 0.31 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.51 3jth h LYS 85 CO -0.01 0.31 0.00 0.00 -0.57 0.00 0.00 179.45 179.18 3jth n ALA 86 N -2.41 1.68 0.00 3.86 0.00 -0.86 -0.67 120.51 122.12 3jth n ALA 86 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 3jth n ALA 86 Cb 0.22 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.67 3jth n ALA 86 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 3jth n ILE 88 N 0.44 0.00 -0.30 0.00 2.08 0.13 -1.07 119.36 120.64 3jth n ILE 88 Ca 0.00 0.00 -0.01 0.00 0.56 0.00 0.00 62.75 63.30 3jth n ILE 88 Cb 0.13 0.00 0.12 0.00 -0.75 0.00 0.00 39.64 39.13 3jth n ILE 88 CO 0.00 0.00 0.00 0.50 0.56 0.00 0.00 176.55 177.61 3jth h LYS 89 N 0.00 0.98 -0.33 0.38 3.64 -1.11 -0.39 116.57 119.74 3jth h LYS 89 Ca 0.00 -0.06 -0.13 0.00 -1.27 0.00 0.00 60.65 59.20 3jth h LYS 89 Cb 0.00 -0.22 -0.01 0.00 -0.41 0.00 0.00 32.23 31.59 3jth h LYS 89 CO 0.00 0.65 -0.28 1.25 -2.27 0.00 0.00 179.45 178.80 3jth h LEU 90 N 1.01 0.82 -1.42 5.20 5.85 -1.36 -2.42 115.31 122.99 3jth h LEU 90 Ca 0.34 -0.45 0.01 0.00 0.84 0.00 0.00 57.88 58.62 3jth h LEU 90 Cb 0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.83 3jth h LEU 90 CO -0.13 1.11 0.39 -0.07 -0.34 0.00 0.00 178.44 179.39 3jth h LEU 91 N 0.55 0.68 -0.67 2.25 4.07 -1.70 -0.91 115.31 119.58 3jth h LEU 91 Ca 0.06 -0.02 -0.08 0.00 0.08 0.00 0.00 57.88 57.92 3jth h LEU 91 Cb 0.85 -0.17 -0.03 0.00 1.08 0.00 0.00 40.66 42.40 3jth h LEU 91 CO 0.07 0.49 0.11 0.45 -1.08 0.00 0.00 178.44 178.49 3jth h HIS 92 N 0.80 1.18 0.00 1.13 3.86 -0.84 -2.07 115.15 119.21 3jth h HIS 92 Ca 0.22 -0.16 -0.03 0.00 -1.16 0.00 0.00 60.37 59.24 3jth h HIS 92 Cb -0.09 -0.32 -0.00 0.00 1.06 0.00 0.00 27.41 28.05 3jth h HIS 92 CO 0.00 0.98 -0.14 0.66 0.86 0.00 0.00 177.93 180.30 3jth h SER 93 N 1.03 0.00 0.80 2.45 4.64 -0.85 -2.82 113.55 118.80 3jth h SER 93 Ca 0.20 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.28 3jth h SER 93 Cb 0.43 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.50 3jth h SER 93 CO 0.01 0.14 -1.18 -0.07 -0.87 0.00 0.00 176.83 174.86 3jth h LEU 94 N 0.00 0.16 -4.10 5.97 4.07 -0.83 -3.36 115.31 117.21 3jth h LEU 94 Ca -0.00 -0.18 -0.55 0.00 0.08 0.00 0.00 57.88 57.23 3jth h LEU 94 Cb 0.79 -0.05 -0.42 0.00 1.08 0.00 0.00 40.66 42.06 3jth h LEU 94 CO 0.02 1.14 -0.81 -1.22 -1.08 0.00 0.00 178.44 176.49 3jth n TYR 95 N -3.38 2.90 -1.59 1.13 4.01 -0.81 -5.10 117.16 114.31 3jth n TYR 95 Ca -0.05 -2.54 0.00 0.00 -0.16 0.00 0.00 57.90 55.14 3jth n TYR 95 Cb 0.98 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.77 3jth n TYR 95 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40