#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vox s ARG 2 N 0.00 1.53 0.24 0.03 0.52 -1.26 -5.04 118.95 114.97 1vox s ARG 2 Ca 0.00 -1.77 -0.30 0.00 -0.52 0.00 0.00 55.73 53.14 1vox s ARG 2 Cb 0.00 0.33 -0.10 0.00 0.52 0.00 0.00 34.95 35.70 1vox s ARG 2 CO 0.00 -0.56 1.45 0.50 0.02 0.00 0.00 175.30 176.70 1vox s ARG 3 N -3.73 4.26 0.00 3.54 3.52 -1.26 -4.36 118.95 120.92 1vox s ARG 3 Ca 0.37 2.30 0.00 0.00 -0.13 0.00 0.00 55.73 58.27 1vox s ARG 3 Cb 0.04 -3.11 0.00 0.00 -1.56 0.00 0.00 34.95 30.31 1vox s ARG 3 CO 0.19 -0.43 0.00 0.66 -0.81 0.00 0.00 175.30 174.91 1vox n TYR 4 N 2.45 0.00 -3.20 5.12 4.01 -0.18 -0.15 117.16 125.22 1vox n TYR 4 Ca 0.07 0.00 0.04 0.00 -0.16 0.00 0.00 57.90 57.86 1vox n TYR 4 Cb 0.40 0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.41 1vox n TYR 4 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1vox s GLU 5 N 0.62 0.19 0.13 -0.72 2.12 0.14 -3.77 118.70 117.42 1vox s GLU 5 Ca 0.00 0.37 0.08 0.00 0.36 0.00 0.00 54.97 55.78 1vox s GLU 5 Cb 0.00 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.56 1vox s GLU 5 CO 0.00 -0.16 -0.17 0.08 -0.54 0.00 0.00 175.26 174.46 1vox s VAL 6 N 2.76 1.62 -0.03 3.70 1.01 -1.24 0.88 120.40 129.10 1vox s VAL 6 Ca -0.01 -1.75 0.00 0.00 0.00 0.00 0.00 61.98 60.22 1vox s VAL 6 Cb -0.08 -1.66 0.03 0.00 0.00 0.00 0.00 36.38 34.67 1vox s VAL 6 CO -0.13 -0.28 0.01 0.54 0.00 0.00 0.00 175.10 175.24 1vox s ASN 7 N -2.40 0.51 0.01 3.32 4.22 -1.19 -2.51 114.94 116.89 1vox s ASN 7 Ca 0.11 -0.01 0.08 0.00 -2.14 0.00 0.00 52.86 50.90 1vox s ASN 7 Cb -0.07 -0.21 -0.02 0.00 1.28 0.00 0.00 41.25 42.24 1vox s ASN 7 CO 0.05 -0.12 -0.24 -0.63 -2.04 0.00 0.00 177.10 174.12 1vox s ILE 8 N 1.18 1.90 0.02 0.54 1.01 -1.26 -2.90 121.20 121.69 1vox s ILE 8 Ca -0.08 -1.15 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1vox s ILE 8 Cb -0.13 -1.60 -0.02 0.00 0.01 0.00 0.00 42.46 40.72 1vox s ILE 8 CO -0.02 0.41 -0.01 -0.69 0.00 0.00 0.00 174.94 174.64 1vox s VAL 9 N -0.67 0.11 0.00 2.92 1.01 -1.15 -4.50 120.40 118.11 1vox s VAL 9 Ca 0.10 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.16 1vox s VAL 9 Cb -0.09 -0.33 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1vox s VAL 9 CO 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 175.10 174.60 1vox n LEU 10 N 1.52 0.00 -4.51 3.92 -0.00 -1.26 -2.66 117.00 114.01 1vox n LEU 10 Ca -0.23 0.00 -0.43 0.00 -0.00 0.00 0.00 56.01 55.35 1vox n LEU 10 Cb 0.55 0.00 -0.04 0.00 -0.00 0.00 0.00 43.42 43.93 1vox n LEU 10 CO 0.20 0.00 0.71 0.21 -0.00 0.00 0.00 177.39 178.51 1vox s ASN 11 N 1.76 6.32 0.21 1.45 3.84 -1.25 -4.90 114.94 122.36 1vox s ASN 11 Ca 0.00 -0.45 0.24 0.00 0.21 0.00 0.00 52.86 52.86 1vox s ASN 11 Cb 0.00 -2.42 0.35 0.00 -0.55 0.00 0.00 41.25 38.63 1vox s ASN 11 CO 0.00 -1.21 1.39 1.55 -2.79 0.00 0.00 177.10 176.04 1vox h PRO 12 N 9.30 0.00 -1.03 0.43 0.13 -1.95 -3.36 132.00 135.52 1vox h PRO 12 Ca -0.26 0.00 0.28 0.00 -0.87 0.00 0.00 66.00 65.15 1vox h PRO 12 Cb 1.08 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.15 1vox h PRO 12 CO 1.08 0.00 0.72 -2.95 -0.23 0.00 0.00 178.00 176.62 1vox h ASN 13 N 0.00 0.15 -3.95 1.44 -1.07 -1.99 -3.41 115.58 106.76 1vox h ASN 13 Ca 0.00 0.02 -0.47 0.00 0.07 0.00 0.00 56.30 55.92 1vox h ASN 13 Cb 0.84 -0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 37.09 1vox h ASN 13 CO 0.00 0.04 0.38 -0.76 0.07 0.00 0.00 177.43 177.15 1vox s LEU 14 N -8.82 4.19 1.10 6.14 1.43 -1.26 -5.02 118.68 116.44 1vox s LEU 14 Ca -0.06 1.91 -0.14 0.00 -1.03 0.00 0.00 54.13 54.81 1vox s LEU 14 Cb 0.23 -4.17 0.19 0.00 0.03 0.00 0.00 46.19 42.48 1vox s LEU 14 CO 0.79 -0.31 0.70 0.47 0.23 0.00 0.00 176.35 178.23 1vox n ASP 15 N 0.10 -1.64 -0.15 2.29 9.92 -1.26 -4.37 116.55 121.45 1vox n ASP 15 Ca 0.04 -0.01 0.28 0.00 -0.53 0.00 0.00 54.79 54.57 1vox n ASP 15 Cb 0.50 -1.21 0.61 0.00 -0.64 0.00 0.00 41.12 40.38 1vox n ASP 15 CO 0.00 0.00 0.00 -0.61 0.13 0.00 0.00 177.20 176.72 1vox h GLN 16 N -2.29 0.00 0.00 -1.24 5.75 -1.95 -1.25 115.11 114.14 1vox h GLN 16 Ca -0.55 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 1vox h GLN 16 Cb 1.33 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.88 1vox h GLN 16 CO 0.43 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 177.04 1vox n SER 17 N -3.54 0.00 -0.16 -0.69 7.64 -1.26 -1.90 113.62 113.71 1vox n SER 17 Ca 0.19 0.90 0.01 0.00 1.01 0.00 0.00 58.87 60.98 1vox n SER 17 Cb 1.21 -0.46 0.02 0.00 -1.01 0.00 0.00 64.21 63.97 1vox n SER 17 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 1vox n GLN 18 N -1.88 1.10 -0.01 1.43 7.27 -0.97 -3.12 117.38 121.20 1vox n GLN 18 Ca 0.00 -0.13 0.07 0.00 0.07 0.00 0.00 57.00 57.00 1vox n GLN 18 Cb 0.00 -1.12 -0.10 0.00 2.41 0.00 0.00 30.24 31.43 1vox n GLN 18 CO 0.00 0.00 0.00 -0.11 0.07 0.00 0.00 177.06 177.02 1vox n LEU 19 N -0.32 0.01 -0.24 1.69 0.00 -0.51 -4.54 117.00 113.10 1vox n LEU 19 Ca 0.01 -0.00 0.08 0.00 0.00 0.00 0.00 56.01 56.10 1vox n LEU 19 Cb 0.08 0.00 0.14 0.00 0.00 0.00 0.00 43.42 43.64 1vox n LEU 19 CO 0.01 0.00 0.49 0.00 0.00 0.00 0.00 177.39 177.90 1vox n ALA 20 N -1.96 2.52 0.09 1.96 0.00 -0.80 -4.72 120.51 117.60 1vox n ALA 20 Ca -0.02 -2.64 -0.22 0.00 0.00 0.00 0.00 53.44 50.56 1vox n ALA 20 Cb 0.35 -0.39 -0.14 0.00 0.00 0.00 0.00 19.45 19.27 1vox n ALA 20 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1vox h LEU 21 N 0.22 0.74 -2.19 0.00 5.85 -1.79 -3.22 115.31 114.93 1vox h LEU 21 Ca -0.00 -0.88 0.05 0.00 0.84 0.00 0.00 57.88 57.88 1vox h LEU 21 Cb 1.05 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 1vox h LEU 21 CO 0.00 1.55 0.27 -0.33 -0.34 0.00 0.00 178.44 179.60 1vox h GLU 22 N 0.04 0.00 -0.74 1.25 4.39 -1.90 0.20 114.58 117.82 1vox h GLU 22 Ca -0.19 0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.54 1vox h GLU 22 Cb 1.87 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 30.48 1vox h GLU 22 CO 0.22 0.00 0.46 0.87 -1.16 0.00 0.00 179.01 179.40 1vox h LYS 23 N 0.00 0.88 -0.31 2.33 1.57 -1.90 -1.67 116.57 117.46 1vox h LYS 23 Ca 0.07 -0.05 0.07 0.00 -1.87 0.00 0.00 60.65 58.87 1vox h LYS 23 Cb 0.62 -0.20 -0.07 0.00 0.08 0.00 0.00 32.23 32.67 1vox h LYS 23 CO -0.00 0.58 -0.15 0.93 -0.57 0.00 0.00 179.45 180.24 1vox h GLU 24 N 0.90 -0.10 -0.05 3.15 3.07 -0.76 0.25 114.58 121.05 1vox h GLU 24 Ca 0.30 0.01 0.01 0.00 -0.50 0.00 0.00 59.36 59.18 1vox h GLU 24 Cb 0.02 0.02 -0.00 0.00 -0.84 0.00 0.00 28.75 27.95 1vox h GLU 24 CO -0.11 -0.06 0.12 0.82 -1.40 0.00 0.00 179.01 178.37 1vox h ILE 25 N -0.10 0.20 0.09 3.13 2.04 -1.36 0.25 117.51 121.75 1vox h ILE 25 Ca 0.16 0.00 -0.29 0.00 1.00 0.00 0.00 64.86 65.72 1vox h ILE 25 Cb 0.34 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 1vox h ILE 25 CO -0.37 0.00 -1.51 0.40 0.00 0.00 0.00 178.15 176.66 1vox h ILE 26 N 0.00 1.15 -0.50 -0.67 2.04 -0.08 -3.31 117.51 116.15 1vox h ILE 26 Ca 0.02 -2.84 0.05 0.00 1.00 0.00 0.00 64.86 63.10 1vox h ILE 26 Cb 0.26 2.71 -0.05 0.00 -0.74 0.00 0.00 36.82 39.00 1vox h ILE 26 CO -0.00 0.79 0.23 1.56 0.00 0.00 0.00 178.15 180.73 1vox h GLN 27 N 0.05 0.44 0.00 2.37 1.08 0.90 0.31 115.11 120.25 1vox h GLN 27 Ca -0.23 -0.03 0.00 0.00 -1.45 0.00 0.00 58.65 56.94 1vox h GLN 27 Cb 1.99 -0.10 0.00 0.00 -0.05 0.00 0.00 27.48 29.32 1vox h GLN 27 CO 0.14 0.29 0.00 -0.09 -0.95 0.00 0.00 178.83 178.22 1vox h ARG 28 N 0.45 0.00 -0.03 1.46 2.43 -1.58 0.23 114.38 117.34 1vox h ARG 28 Ca 0.23 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.40 1vox h ARG 28 Cb 0.17 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.72 1vox h ARG 28 CO -0.18 0.00 -0.04 0.00 -1.51 0.00 0.00 179.97 178.24 1vox n ALA 29 N -1.93 2.58 -0.08 2.80 0.00 0.10 -3.04 120.51 120.93 1vox n ALA 29 Ca -0.02 -0.63 -0.18 0.00 0.00 0.00 0.00 53.44 52.61 1vox n ALA 29 Cb 0.08 -0.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.51 1vox n ALA 29 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1vox n LEU 30 N 0.96 2.53 -0.10 0.00 4.77 0.79 -4.39 117.00 121.55 1vox n LEU 30 Ca 0.15 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 1vox n LEU 30 Cb 0.53 -0.81 -0.07 0.00 -2.33 0.00 0.00 43.42 40.73 1vox n LEU 30 CO 0.17 0.85 -1.21 -0.62 -1.33 0.00 0.00 177.39 175.24 1vox n GLU 31 N -3.28 0.44 -0.45 3.23 -0.58 -1.16 -3.34 120.64 115.51 1vox n GLU 31 Ca -0.39 0.19 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 1vox n GLU 31 Cb 1.03 -1.24 0.00 0.00 -0.57 0.00 0.00 31.44 30.65 1vox n GLU 31 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 1vox n ASN 32 N -3.91 4.97 -3.21 1.62 4.05 -1.17 -4.38 115.26 113.23 1vox n ASN 32 Ca -0.41 -2.32 -0.24 0.00 0.45 0.00 0.00 54.58 52.07 1vox n ASN 32 Cb 0.79 -1.04 -0.06 0.00 1.23 0.00 0.00 39.78 40.70 1vox n ASN 32 CO 0.00 0.00 0.00 -1.22 -3.05 0.00 0.00 177.26 172.99 1vox n TYR 33 N 1.45 1.02 0.00 1.20 4.02 -1.26 -4.76 117.16 118.83 1vox n TYR 33 Ca 0.00 -3.79 0.00 0.00 -0.01 0.00 0.00 57.90 54.10 1vox n TYR 33 Cb 0.48 -0.42 0.00 0.00 -0.02 0.00 0.00 39.34 39.38 1vox n TYR 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1vox n GLY 34 N 0.86 0.27 0.00 2.72 0.00 -1.26 -4.36 105.19 103.43 1vox n GLY 34 Ca 0.25 0.77 0.00 0.00 0.00 0.00 0.00 46.02 47.04 1vox n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vox n ALA 35 N 2.86 0.00 -2.28 4.61 0.00 -1.26 -5.11 120.51 119.33 1vox n ALA 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1vox n ALA 35 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1vox n ALA 35 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1vox n ARG 36 N 0.00 0.00 -4.73 0.00 3.00 -1.26 -4.92 116.66 108.74 1vox n ARG 36 Ca 0.00 0.00 -0.33 0.00 -0.00 0.00 0.00 57.85 57.52 1vox n ARG 36 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 32.46 32.38 1vox n ARG 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1vox s VAL 37 N 0.09 1.21 0.00 5.15 1.01 -1.21 -4.61 120.40 122.04 1vox s VAL 37 Ca 0.00 -1.99 0.00 0.00 0.00 0.00 0.00 61.98 59.99 1vox s VAL 37 Cb 0.00 -2.20 0.00 0.00 0.00 0.00 0.00 36.38 34.18 1vox s VAL 37 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 174.48 1vox n GLU 38 N -1.26 0.00 -4.31 2.72 1.02 -1.26 -4.88 120.64 112.66 1vox n GLU 38 Ca -0.18 0.00 -0.24 0.00 -0.02 0.00 0.00 57.16 56.72 1vox n GLU 38 Cb 0.67 0.00 -0.08 0.00 -0.02 0.00 0.00 31.44 32.01 1vox n GLU 38 CO 0.00 0.00 0.00 -1.59 1.18 0.00 0.00 177.13 176.72 1vox s LYS 39 N 2.81 2.12 -0.23 3.49 -2.85 -1.25 -5.07 119.74 118.76 1vox s LYS 39 Ca 0.00 -1.70 -0.12 0.00 -1.00 0.00 0.00 55.97 53.15 1vox s LYS 39 Cb 0.00 -1.97 0.07 0.00 -2.06 0.00 0.00 37.83 33.87 1vox s LYS 39 CO 0.00 0.16 0.54 0.54 0.10 0.00 0.00 175.35 176.69 1vox s VAL 40 N -2.49 -0.11 0.18 1.79 0.11 -1.26 -3.88 120.40 114.72 1vox s VAL 40 Ca 0.35 0.05 0.04 0.00 -2.93 0.00 0.00 61.98 59.50 1vox s VAL 40 Cb -0.01 -0.80 -0.05 0.00 -1.53 0.00 0.00 36.38 33.99 1vox s VAL 40 CO 0.20 0.02 -0.07 -1.61 -3.33 0.00 0.00 175.10 170.30 1vox s GLU 41 N 1.67 1.16 -0.09 1.54 2.02 -1.26 -5.08 118.70 118.67 1vox s GLU 41 Ca -0.09 -1.53 0.00 0.00 0.02 0.00 0.00 54.97 53.37 1vox s GLU 41 Cb -0.07 -0.65 0.02 0.00 0.10 0.00 0.00 34.13 33.52 1vox s GLU 41 CO -0.16 0.03 -0.07 -2.00 0.02 0.00 0.00 175.26 173.08 1vox s GLU 42 N -3.78 1.38 0.66 1.61 2.12 -1.26 -4.41 118.70 115.02 1vox s GLU 42 Ca 0.21 -0.22 0.43 0.00 0.36 0.00 0.00 54.97 55.75 1vox s GLU 42 Cb 0.03 -1.41 2.38 0.00 0.26 0.00 0.00 34.13 35.39 1vox s GLU 42 CO 0.03 -0.20 2.36 -0.07 -0.54 0.00 0.00 175.26 176.85 1vox h LEU 43 N 7.89 0.00 0.00 2.70 -0.00 -1.87 -3.46 115.31 120.57 1vox h LEU 43 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.59 1vox h LEU 43 Cb 1.14 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.80 1vox h LEU 43 CO 0.41 0.00 0.00 0.61 -0.00 0.00 0.00 178.44 179.46 1vox n GLY 44 N -1.11 2.17 3.15 0.83 0.00 -1.26 -4.50 105.19 104.48 1vox n GLY 44 Ca -0.03 0.11 0.05 0.00 0.00 0.00 0.00 46.02 46.15 1vox n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vox s LEU 45 N 0.00 -0.94 -0.18 0.99 0.20 -1.26 -3.69 118.68 113.80 1vox s LEU 45 Ca 0.00 0.21 0.01 0.00 0.69 0.00 0.00 54.13 55.03 1vox s LEU 45 Cb 0.00 1.63 0.04 0.00 -0.43 0.00 0.00 46.19 47.43 1vox s LEU 45 CO 0.00 -0.17 -0.11 -0.13 -0.29 0.00 0.00 176.35 175.64 1vox s ARG 46 N 2.90 2.11 0.39 1.98 3.00 -1.26 -4.98 118.95 123.09 1vox s ARG 46 Ca 0.17 -0.74 -0.24 0.00 0.00 0.00 0.00 55.73 54.91 1vox s ARG 46 Cb -0.07 -2.31 -0.12 0.00 0.00 0.00 0.00 34.95 32.45 1vox s ARG 46 CO -0.22 -0.36 0.82 0.54 0.00 0.00 0.00 175.30 176.07 1vox n ARG 47 N 4.72 0.99 0.00 3.54 5.12 -1.26 -4.89 116.66 124.88 1vox n ARG 47 Ca -0.15 0.36 0.00 0.00 -1.93 0.00 0.00 57.85 56.12 1vox n ARG 47 Cb 0.48 -1.76 0.00 0.00 -1.16 0.00 0.00 32.46 30.01 1vox n ARG 47 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1vox n LEU 48 N 0.96 0.00 0.00 0.55 4.77 -1.26 -5.07 117.00 116.95 1vox n LEU 48 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 1vox n LEU 48 Cb 0.37 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 1vox n LEU 48 CO 0.56 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.62 1vox n ALA 49 N -3.00 0.58 -2.65 -1.18 0.00 -1.26 -5.14 120.51 107.86 1vox n ALA 49 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 53.44 53.18 1vox n ALA 49 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1vox n ALA 49 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 1vox s TYR 50 N -1.00 2.80 0.35 0.00 1.13 -1.26 -5.08 117.35 114.28 1vox s TYR 50 Ca 0.00 -0.16 -0.28 0.00 -1.41 0.00 0.00 57.07 55.22 1vox s TYR 50 Cb 0.00 -1.35 -0.10 0.00 -1.10 0.00 0.00 41.96 39.41 1vox s TYR 50 CO 0.00 0.53 1.36 -1.25 -2.51 0.00 0.00 175.55 173.68 1vox s PRO 51 N -3.01 4.28 0.05 -3.49 0.04 -1.26 -4.80 135.00 126.80 1vox s PRO 51 Ca 0.28 2.32 -0.02 0.00 0.04 0.00 0.00 61.00 63.62 1vox s PRO 51 Cb -0.09 -3.04 -0.04 0.00 0.04 0.00 0.00 34.50 31.38 1vox s PRO 51 CO 0.18 -0.29 -0.01 0.42 0.04 0.00 0.00 177.00 177.34 1vox s ILE 52 N -1.14 0.21 -1.68 0.56 1.01 -0.92 -4.77 121.20 114.46 1vox s ILE 52 Ca 0.50 -1.71 0.00 0.00 0.00 0.00 0.00 60.65 59.44 1vox s ILE 52 Cb -0.42 -1.43 0.00 0.00 0.01 0.00 0.00 42.46 40.63 1vox s ILE 52 CO 0.56 -0.94 0.00 0.00 0.00 0.00 0.00 174.94 174.56 1vox n ALA 53 N 0.19 -0.46 -3.19 9.38 0.00 -1.26 -1.09 120.51 124.08 1vox n ALA 53 Ca -0.15 0.22 -0.15 0.00 0.00 0.00 0.00 53.44 53.36 1vox n ALA 53 Cb 0.61 -1.83 0.07 0.00 0.00 0.00 0.00 19.45 18.29 1vox n ALA 53 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1vox n LYS 54 N -2.51 -5.51 -3.33 0.00 4.76 -1.26 -5.02 118.16 105.29 1vox n LYS 54 Ca -0.19 0.65 0.02 0.00 -2.87 0.00 0.00 58.31 55.92 1vox n LYS 54 Cb 0.61 -5.11 -0.04 0.00 -1.84 0.00 0.00 35.03 28.65 1vox n LYS 54 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 1vox s ASP 55 N -3.76 -0.32 0.00 4.39 -1.08 -0.25 -5.03 116.67 110.62 1vox s ASP 55 Ca 0.17 0.45 0.00 0.00 -0.52 0.00 0.00 52.55 52.64 1vox s ASP 55 Cb -0.07 1.34 0.00 0.00 -1.46 0.00 0.00 42.92 42.73 1vox s ASP 55 CO 0.56 -0.06 0.70 -0.81 0.52 0.00 0.00 175.17 176.08 1vox n PRO 56 N 4.62 0.99 -4.39 4.34 -0.04 -1.26 -2.17 135.00 137.08 1vox n PRO 56 Ca -0.09 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.16 1vox n PRO 56 Cb 0.54 -1.29 -0.09 0.00 -0.04 0.00 0.00 33.50 32.63 1vox n PRO 56 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1vox s GLN 57 N -0.57 1.70 0.00 0.54 1.11 -1.26 -4.73 119.66 116.45 1vox s GLN 57 Ca 0.00 -1.98 0.00 0.00 0.01 0.00 0.00 55.36 53.39 1vox s GLN 57 Cb 0.00 -0.30 0.00 0.00 -1.01 0.00 0.00 33.01 31.70 1vox s GLN 57 CO 0.00 -0.44 0.00 0.41 0.01 0.00 0.00 175.29 175.27 1vox n GLY 58 N -0.68 -0.40 3.33 3.09 0.00 -1.26 -4.92 105.19 104.35 1vox n GLY 58 Ca -0.01 -1.15 -0.28 0.00 0.00 0.00 0.00 46.02 44.59 1vox n GLY 58 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vox s TYR 59 N -2.00 2.13 0.22 1.61 5.04 -1.26 -4.86 117.35 118.23 1vox s TYR 59 Ca 0.00 -0.40 0.04 0.00 -2.44 0.00 0.00 57.07 54.27 1vox s TYR 59 Cb 0.00 -1.23 -0.05 0.00 0.35 0.00 0.00 41.96 41.03 1vox s TYR 59 CO 0.00 0.18 -0.02 -0.06 -1.34 0.00 0.00 175.55 174.31 1vox s PHE 60 N -0.91 1.55 0.24 4.97 0.40 -1.24 -4.81 117.98 118.18 1vox s PHE 60 Ca 0.11 -0.88 -0.05 0.00 -0.60 0.00 0.00 56.93 55.51 1vox s PHE 60 Cb -0.10 -0.88 0.02 0.00 0.51 0.00 0.00 43.02 42.57 1vox s PHE 60 CO 0.03 0.01 0.40 1.28 0.70 0.00 0.00 175.22 177.65 1vox n LEU 61 N -0.40 0.00 -3.59 -0.37 4.77 -1.26 -4.07 117.00 112.08 1vox n LEU 61 Ca -0.06 -1.72 -0.06 0.00 -0.03 0.00 0.00 56.01 54.14 1vox n LEU 61 Cb 0.63 2.02 -0.03 0.00 -2.33 0.00 0.00 43.42 43.71 1vox n LEU 61 CO 0.36 -0.48 0.94 0.86 -1.33 0.00 0.00 177.39 177.74 1vox s TRP 62 N -4.21 -0.20 0.26 -1.77 -0.00 -1.26 -4.64 118.94 107.12 1vox s TRP 62 Ca 0.14 0.24 0.02 0.00 -0.00 0.00 0.00 56.10 56.50 1vox s TRP 62 Cb -0.02 0.50 -0.01 0.00 -0.00 0.00 0.00 33.47 33.94 1vox s TRP 62 CO 0.10 -0.24 0.30 0.66 -0.00 0.00 0.00 176.95 177.77 1vox n TYR 63 N 0.25 -0.94 -3.52 5.86 4.01 -1.05 -4.57 117.16 117.20 1vox n TYR 63 Ca -0.04 -1.95 0.00 0.00 -0.16 0.00 0.00 57.90 55.75 1vox n TYR 63 Cb 0.59 0.33 -0.04 0.00 -0.31 0.00 0.00 39.34 39.91 1vox n TYR 63 CO 0.00 0.00 0.00 -1.14 -0.46 0.00 0.00 176.86 175.26 1vox s GLN 64 N -2.80 0.42 0.00 -0.72 0.74 -1.25 -3.62 119.66 112.43 1vox s GLN 64 Ca 0.26 1.01 0.00 0.00 0.05 0.00 0.00 55.36 56.68 1vox s GLN 64 Cb 0.00 0.56 0.00 0.00 1.10 0.00 0.00 33.01 34.67 1vox s GLN 64 CO 0.18 -0.14 0.00 1.33 -0.55 0.00 0.00 175.29 176.12 1vox n VAL 65 N 5.03 0.00 -3.78 1.34 0.24 -1.26 -3.79 118.33 116.11 1vox n VAL 65 Ca -0.11 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.06 1vox n VAL 65 Cb 0.52 0.00 -0.13 0.00 -1.47 0.00 0.00 33.84 32.76 1vox n VAL 65 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1vox s GLU 66 N 0.68 0.15 0.22 7.34 2.12 -1.26 -1.01 118.70 126.94 1vox s GLU 66 Ca 0.00 0.31 -0.17 0.00 0.36 0.00 0.00 54.97 55.48 1vox s GLU 66 Cb 0.00 -0.04 0.02 0.00 0.26 0.00 0.00 34.13 34.37 1vox s GLU 66 CO 0.00 -0.09 0.54 0.00 -0.54 0.00 0.00 175.26 175.17 1vox s MET 67 N 0.64 1.50 0.06 4.30 0.23 -1.26 -4.68 119.30 120.09 1vox s MET 67 Ca -0.05 -1.00 -0.31 0.00 -1.03 0.00 0.00 55.69 53.30 1vox s MET 67 Cb -0.06 0.52 -0.08 0.00 -1.53 0.00 0.00 34.83 33.68 1vox s MET 67 CO -0.03 -0.64 1.63 -2.14 -2.03 0.00 0.00 175.02 171.80 1vox s PRO 68 N -3.93 4.21 0.29 3.16 0.02 -1.26 -4.58 135.00 132.91 1vox s PRO 68 Ca 0.13 2.30 0.04 0.00 0.02 0.00 0.00 61.00 63.49 1vox s PRO 68 Cb -0.02 -3.59 0.72 0.00 0.02 0.00 0.00 34.50 31.64 1vox s PRO 68 CO 0.02 -0.72 1.72 1.05 -0.33 0.00 0.00 177.00 178.75 1vox h GLU 69 N 8.26 0.49 0.09 5.54 4.11 -1.99 -2.36 114.58 128.72 1vox h GLU 69 Ca -0.42 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 58.97 1vox h GLU 69 Cb 1.20 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1vox h GLU 69 CO 0.93 0.33 -0.05 0.38 0.07 0.00 0.00 179.01 180.67 1vox h ASP 70 N 0.51 -0.11 0.26 3.06 2.03 -2.03 -2.55 116.42 117.59 1vox h ASP 70 Ca 0.56 -0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.80 1vox h ASP 70 Cb 1.00 0.03 0.00 0.00 -0.83 0.00 0.00 39.33 39.53 1vox h ASP 70 CO -0.47 -0.01 0.00 0.54 -1.03 0.00 0.00 179.24 178.26 1vox n ARG 71 N -5.11 0.14 -0.06 4.15 5.12 -0.91 -3.12 116.66 116.87 1vox n ARG 71 Ca -0.08 0.20 -0.12 0.00 -1.93 0.00 0.00 57.85 55.92 1vox n ARG 71 Cb 0.10 -1.50 -0.06 0.00 -1.16 0.00 0.00 32.46 29.85 1vox n ARG 71 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1vox h VAL 72 N 0.00 1.26 0.00 1.55 2.07 -1.19 1.10 116.25 121.05 1vox h VAL 72 Ca 0.00 -0.89 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1vox h VAL 72 Cb 0.13 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1vox h VAL 72 CO 0.00 0.27 0.00 0.59 0.02 0.00 0.00 177.57 178.45 1vox n ASN 73 N -4.70 0.83 0.00 0.57 3.02 -1.18 -2.15 115.26 111.65 1vox n ASN 73 Ca -0.05 -0.96 0.00 0.00 -0.03 0.00 0.00 54.58 53.54 1vox n ASN 73 Cb 0.23 -0.24 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 1vox n ASN 73 CO 0.00 0.00 0.00 -0.90 -2.62 0.00 0.00 177.26 173.74 1vox n ASP 74 N 0.45 0.00 0.16 6.41 5.75 -1.01 -4.78 116.55 123.53 1vox n ASP 74 Ca 0.00 0.00 -0.14 0.00 -0.01 0.00 0.00 54.79 54.64 1vox n ASP 74 Cb 0.16 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.17 1vox n ASP 74 CO 0.00 0.00 0.00 0.25 -0.11 0.00 0.00 177.20 177.34 1vox h LEU 75 N 0.00 -0.33 -0.26 -2.12 7.12 0.18 0.39 115.31 120.29 1vox h LEU 75 Ca 0.00 -0.12 -0.19 0.00 0.13 0.00 0.00 57.88 57.70 1vox h LEU 75 Cb 0.00 0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.19 1vox h LEU 75 CO 0.00 -0.06 -0.88 0.00 -0.13 0.00 0.00 178.44 177.36 1vox h ALA 76 N 0.06 0.54 -0.28 1.25 0.00 -1.80 -3.09 119.26 115.94 1vox h ALA 76 Ca -0.04 -0.78 -0.13 0.00 0.00 0.00 0.00 54.91 53.96 1vox h ALA 76 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 1vox h ALA 76 CO 0.06 1.04 -0.37 0.00 0.00 0.00 0.00 179.25 179.98 1vox h ARG 77 N 0.03 0.66 -0.86 0.00 2.47 -1.79 -1.31 114.38 113.58 1vox h ARG 77 Ca -0.02 -0.32 0.34 0.00 -1.26 0.00 0.00 59.98 58.72 1vox h ARG 77 Cb 1.54 0.00 -0.16 0.00 -1.65 0.00 0.00 29.97 29.71 1vox h ARG 77 CO 0.12 0.92 0.40 -1.91 0.56 0.00 0.00 179.97 180.07 1vox n GLU 78 N -4.05 -0.05 -0.02 0.04 4.07 0.14 -1.16 120.64 119.61 1vox n GLU 78 Ca -0.02 1.20 0.00 0.00 -0.06 0.00 0.00 57.16 58.29 1vox n GLU 78 Cb 0.51 -2.12 -0.06 0.00 -0.06 0.00 0.00 31.44 29.71 1vox n GLU 78 CO 0.00 0.00 0.00 1.28 -0.06 0.00 0.00 177.13 178.35 1vox n LEU 79 N -4.99 0.00 0.19 4.31 4.77 -1.17 -4.60 117.00 115.51 1vox n LEU 79 Ca 0.31 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.33 1vox n LEU 79 Cb 1.05 0.09 0.39 0.00 -2.33 0.00 0.00 43.42 42.62 1vox n LEU 79 CO -0.00 0.09 0.75 -0.09 -1.33 0.00 0.00 177.39 176.81 1vox h ARG 80 N 0.00 0.00 0.23 3.23 2.43 -0.14 -3.17 114.38 116.96 1vox h ARG 80 Ca -0.10 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1vox h ARG 80 Cb 0.92 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.45 1vox h ARG 80 CO 0.01 0.35 -0.24 0.82 -1.51 0.00 0.00 179.97 179.39 1vox h ILE 81 N 0.00 0.48 -3.52 1.20 2.04 -1.36 -3.41 117.51 112.94 1vox h ILE 81 Ca -0.00 0.00 -0.48 0.00 1.00 0.00 0.00 64.86 65.38 1vox h ILE 81 Cb 0.64 0.48 0.21 0.00 -0.74 0.00 0.00 36.82 37.42 1vox h ILE 81 CO 0.04 0.00 -0.07 0.54 0.00 0.00 0.00 178.15 178.66 1vox n ARG 82 N -5.36 -1.53 0.00 2.37 1.74 -1.22 -4.83 116.66 107.83 1vox n ARG 82 Ca -0.08 -0.40 0.05 0.00 -0.77 0.00 0.00 57.85 56.64 1vox n ARG 82 Cb 0.27 -2.18 0.24 0.00 -1.02 0.00 0.00 32.46 29.78 1vox n ARG 82 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1vox n ASP 83 N -4.15 0.00 0.00 0.55 10.43 -1.26 -4.03 116.55 118.09 1vox n ASP 83 Ca 0.06 0.07 0.00 0.00 2.57 0.00 0.00 54.79 57.49 1vox n ASP 83 Cb 0.54 -0.23 0.00 0.00 1.84 0.00 0.00 41.12 43.27 1vox n ASP 83 CO 0.00 0.00 0.00 0.59 -1.07 0.00 0.00 177.20 176.72 1vox n ASN 84 N -1.23 0.00 -4.70 -2.24 3.02 -1.26 -4.81 115.26 104.03 1vox n ASN 84 Ca 0.05 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.17 1vox n ASN 84 Cb 0.07 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.22 1vox n ASN 84 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 1vox n VAL 85 N 0.00 1.58 0.00 2.41 0.31 -1.20 -3.95 118.33 117.48 1vox n VAL 85 Ca 0.00 -0.39 0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1vox n VAL 85 Cb 0.00 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 31.29 1vox n VAL 85 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 1vox n ARG 86 N 1.17 1.81 -3.72 5.55 1.85 -1.09 -4.42 116.66 117.82 1vox n ARG 86 Ca 0.07 0.00 -0.15 0.00 -1.00 0.00 0.00 57.85 56.77 1vox n ARG 86 Cb 0.35 -0.17 -0.15 0.00 -1.05 0.00 0.00 32.46 31.44 1vox n ARG 86 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1vox s ARG 87 N -0.19 0.06 0.00 2.89 1.81 -1.26 -5.09 118.95 117.17 1vox s ARG 87 Ca 0.00 0.42 -0.08 0.00 -1.72 0.00 0.00 55.73 54.34 1vox s ARG 87 Cb 0.00 -0.22 0.00 0.00 -0.45 0.00 0.00 34.95 34.28 1vox s ARG 87 CO 0.00 -0.21 0.16 0.08 -0.68 0.00 0.00 175.30 174.65 1vox s VAL 88 N 1.52 0.08 -0.28 3.52 1.01 -1.26 -2.95 120.40 122.03 1vox s VAL 88 Ca -0.05 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1vox s VAL 88 Cb -0.12 -0.46 0.14 0.00 0.00 0.00 0.00 36.38 35.94 1vox s VAL 88 CO -0.06 -0.36 0.33 -0.32 0.00 0.00 0.00 175.10 174.69 1vox s MET 89 N -1.37 0.34 -0.04 2.72 1.75 -1.14 -4.98 119.30 116.58 1vox s MET 89 Ca -0.14 -0.02 -0.20 0.00 -1.25 0.00 0.00 55.69 54.08 1vox s MET 89 Cb -0.07 -0.57 -0.05 0.00 2.84 0.00 0.00 34.83 36.98 1vox s MET 89 CO 0.02 -1.00 0.56 0.08 -0.65 0.00 0.00 175.02 174.04 1vox s VAL 90 N 2.42 5.00 -0.15 10.11 1.01 -1.26 -3.18 120.40 134.35 1vox s VAL 90 Ca 0.10 1.16 -0.04 0.00 0.00 0.00 0.00 61.98 63.20 1vox s VAL 90 Cb -0.14 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1vox s VAL 90 CO -0.31 0.39 0.17 -0.69 0.00 0.00 0.00 175.10 174.67 1vox s VAL 91 N 0.05 -0.25 -0.48 2.92 1.01 0.25 -4.92 120.40 118.99 1vox s VAL 91 Ca 0.30 0.05 -0.27 0.00 0.00 0.00 0.00 61.98 62.05 1vox s VAL 91 Cb -0.17 -0.52 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 1vox s VAL 91 CO 0.15 -0.09 2.39 0.29 0.00 0.00 0.00 175.10 177.85 1vox n LYS 92 N 5.31 1.12 -3.05 2.72 5.02 -1.26 0.29 118.16 128.31 1vox n LYS 92 Ca -0.05 0.11 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 1vox n LYS 92 Cb 0.50 -3.17 -0.04 0.00 -0.02 0.00 0.00 35.03 32.30 1vox n LYS 92 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1vox s SER 93 N 10.92 6.53 0.00 4.39 0.01 0.79 -4.84 113.70 131.49 1vox s SER 93 Ca 1.03 1.01 0.00 0.00 1.31 0.00 0.00 55.95 59.30 1vox s SER 93 Cb -0.35 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.61 1vox s SER 93 CO 0.31 -0.31 0.00 1.67 0.41 0.00 0.00 173.24 175.33 1vox n GLN 94 N -1.05 0.00 -2.69 12.44 7.27 -1.26 -4.05 117.38 128.04 1vox n GLN 94 Ca 0.01 0.00 -0.04 0.00 0.07 0.00 0.00 57.00 57.04 1vox n GLN 94 Cb 0.54 0.00 0.05 0.00 2.41 0.00 0.00 30.24 33.24 1vox n GLN 94 CO 0.00 0.00 0.00 -1.91 0.07 0.00 0.00 177.06 175.22 1vox n GLU 95 N -0.56 0.23 0.00 3.69 4.07 -1.26 -5.14 120.64 121.66 1vox n GLU 95 Ca 0.00 -0.98 0.00 0.00 -0.06 0.00 0.00 57.16 56.12 1vox n GLU 95 Cb 0.00 -0.34 0.00 0.00 -0.06 0.00 0.00 31.44 31.04 1vox n GLU 95 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 1vox n PRO 96 N 2.13 0.00 -3.57 5.31 -0.04 -1.26 -5.08 135.00 132.50 1vox n PRO 96 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.42 1vox n PRO 96 Cb 0.66 0.00 -0.06 0.00 -0.04 0.00 0.00 33.50 34.06 1vox n PRO 96 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1vox s PHE 97 N 0.00 -0.47 0.03 0.54 5.36 -1.26 -5.18 117.98 117.00 1vox s PHE 97 Ca 0.00 0.85 0.07 0.00 -0.96 0.00 0.00 56.93 56.90 1vox s PHE 97 Cb 0.00 0.43 -0.02 0.00 -0.34 0.00 0.00 43.02 43.08 1vox s PHE 97 CO 0.00 -0.41 -0.21 -1.17 -1.46 0.00 0.00 175.22 171.97 1vox s LEU 98 N -0.98 2.14 -0.77 6.12 0.20 -1.26 -5.04 118.68 119.09 1vox s LEU 98 Ca -0.04 -0.50 -0.23 0.00 0.69 0.00 0.00 54.13 54.05 1vox s LEU 98 Cb -0.01 -1.03 -0.17 0.00 -0.43 0.00 0.00 46.19 44.55 1vox s LEU 98 CO 0.03 0.19 1.90 0.00 -0.29 0.00 0.00 176.35 178.19 1vox n ALA 99 N 1.98 2.92 -3.37 5.97 0.00 -1.26 -4.18 120.51 122.57 1vox n ALA 99 Ca -0.17 -3.23 -0.14 0.00 0.00 0.00 0.00 53.44 49.91 1vox n ALA 99 Cb 0.53 -3.62 0.02 0.00 0.00 0.00 0.00 19.45 16.37 1vox n ALA 99 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1vox n ASN 100 N 8.58 -6.51 0.00 0.00 2.85 -1.26 -5.39 115.26 113.54 1vox n ASN 100 Ca 0.49 -0.54 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 1vox n ASN 100 Cb 0.41 -4.10 0.00 0.00 1.24 0.00 0.00 39.78 37.34 1vox n ASN 100 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15