#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1bvi h ASP 3 N 0.00 0.77 -3.75 0.00 3.32 -1.71 -3.44 116.42 111.62 1bvi h ASP 3 Ca 0.00 -0.19 -0.34 0.00 0.02 0.00 0.00 57.03 56.52 1bvi h ASP 3 Cb 0.00 -0.21 -0.30 0.00 0.22 0.00 0.00 39.33 39.04 1bvi h ASP 3 CO 0.00 0.84 -0.76 -0.31 -1.72 0.00 0.00 179.24 177.29 1bvi s TYR 4 N -5.00 0.50 -0.21 4.55 2.02 -0.00 -4.93 117.35 114.28 1bvi s TYR 4 Ca -0.10 -0.10 0.01 0.00 -0.37 0.00 0.00 57.07 56.52 1bvi s TYR 4 Cb 0.15 -0.39 0.05 0.00 -0.40 0.00 0.00 41.96 41.36 1bvi s TYR 4 CO 0.81 -0.06 -0.10 0.99 -1.57 0.00 0.00 175.55 175.62 1bvi s THR 5 N 0.28 1.72 -0.49 -0.71 2.01 0.50 -0.26 115.64 118.69 1bvi s THR 5 Ca -0.03 -1.12 -0.08 0.00 0.31 0.00 0.00 61.69 60.77 1bvi s THR 5 Cb -0.07 -1.82 0.13 0.00 0.01 0.00 0.00 72.50 70.75 1bvi s THR 5 CO -0.00 0.12 0.35 0.00 -0.69 0.00 0.00 174.62 174.39 1bvi n GLY 7 N 4.70 1.31 0.13 0.00 0.00 -1.26 -0.89 105.19 109.18 1bvi n GLY 7 Ca -0.05 0.21 0.06 0.00 0.00 0.00 0.00 46.02 46.25 1bvi n GLY 7 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1bvi n SER 8 N 10.24 0.94 -4.69 1.61 3.41 -1.26 -4.97 113.62 118.91 1bvi n SER 8 Ca 0.00 -0.97 -0.42 0.00 -0.26 0.00 0.00 58.87 57.22 1bvi n SER 8 Cb 0.00 0.77 -0.03 0.00 -0.26 0.00 0.00 64.21 64.68 1bvi n SER 8 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1bvi s ASN 9 N -1.91 7.14 -0.28 4.04 0.01 -0.07 -5.03 114.94 118.83 1bvi s ASN 9 Ca 0.07 1.39 -0.11 0.00 -0.71 0.00 0.00 52.86 53.51 1bvi s ASN 9 Cb 0.10 -2.51 -0.05 0.00 0.41 0.00 0.00 41.25 39.20 1bvi s ASN 9 CO 0.42 -0.37 0.19 0.00 -1.51 0.00 0.00 177.10 175.84 1bvi s TYR 11 N 1.76 2.57 0.62 0.00 2.02 0.64 -4.99 117.35 119.97 1bvi s TYR 11 Ca 0.07 -0.78 -0.04 0.00 -0.37 0.00 0.00 57.07 55.95 1bvi s TYR 11 Cb -0.16 -1.68 0.04 0.00 -0.40 0.00 0.00 41.96 39.75 1bvi s TYR 11 CO 0.11 -0.25 0.91 -1.54 -1.57 0.00 0.00 175.55 173.20 1bvi s SER 12 N 0.06 5.19 0.48 2.29 1.04 -1.26 -0.82 113.70 120.67 1bvi s SER 12 Ca -0.09 0.41 0.16 0.00 0.48 0.00 0.00 55.95 56.91 1bvi s SER 12 Cb -0.15 -1.25 1.12 0.00 0.10 0.00 0.00 66.02 65.84 1bvi s SER 12 CO 0.06 -1.30 2.05 0.28 0.98 0.00 0.00 173.24 175.31 1bvi h SER 13 N -0.27 0.00 -0.38 7.02 0.02 -1.98 -2.38 113.55 115.57 1bvi h SER 13 Ca -0.44 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.37 1bvi h SER 13 Cb 1.29 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.82 1bvi h SER 13 CO 0.58 0.12 -0.31 0.28 -1.14 0.00 0.00 176.83 176.37 1bvi h SER 14 N 0.00 0.93 -0.22 3.07 0.02 -1.98 0.14 113.55 115.50 1bvi h SER 14 Ca -0.00 -0.45 0.01 0.00 -0.84 0.00 0.00 61.79 60.51 1bvi h SER 14 Cb 0.22 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1bvi h SER 14 CO 0.02 1.18 0.11 0.44 -1.14 0.00 0.00 176.83 177.44 1bvi h ASP 15 N 0.68 0.17 -0.42 3.07 3.32 -1.81 -0.14 116.42 121.29 1bvi h ASP 15 Ca 0.07 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 1bvi h ASP 15 Cb 0.89 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.40 1bvi h ASP 15 CO 0.08 0.13 0.06 0.58 -1.72 0.00 0.00 179.24 178.37 1bvi h VAL 16 N 0.24 1.25 -0.65 -1.35 2.07 -1.40 -1.70 116.25 114.71 1bvi h VAL 16 Ca 0.09 -0.90 -0.06 0.00 0.82 0.00 0.00 66.70 66.65 1bvi h VAL 16 Cb 0.01 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1bvi h VAL 16 CO -0.06 0.31 0.18 -1.28 0.02 0.00 0.00 177.57 176.75 1bvi h SER 17 N 0.56 0.94 -0.13 0.57 0.87 -0.77 0.43 113.55 116.03 1bvi h SER 17 Ca 0.13 -0.18 -0.15 0.00 -1.23 0.00 0.00 61.79 60.37 1bvi h SER 17 Cb 0.39 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.10 1bvi h SER 17 CO 0.01 0.89 -0.43 0.74 -0.53 0.00 0.00 176.83 177.51 1bvi h THR 18 N 0.96 1.30 -0.30 2.23 2.02 -0.92 -1.52 112.91 116.67 1bvi h THR 18 Ca 0.21 -1.62 -0.10 0.00 0.77 0.00 0.00 66.41 65.68 1bvi h THR 18 Cb 0.31 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 68.26 1bvi h THR 18 CO -0.00 0.52 -0.19 0.00 0.37 0.00 0.00 175.52 176.21 1bvi h ALA 19 N 0.97 0.43 -0.34 6.16 0.00 -0.96 -2.82 119.26 122.71 1bvi h ALA 19 Ca 0.04 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.58 1bvi h ALA 19 Cb 0.97 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.64 1bvi h ALA 19 CO 0.09 0.37 0.15 0.37 0.00 0.00 0.00 179.25 180.22 1bvi h GLN 20 N 0.42 0.49 -0.68 0.00 4.15 -0.85 -1.72 115.11 116.92 1bvi h GLN 20 Ca 0.06 -0.08 0.05 0.00 0.77 0.00 0.00 58.65 59.45 1bvi h GLN 20 Cb 0.73 -0.08 -0.05 0.00 0.21 0.00 0.00 27.48 28.28 1bvi h GLN 20 CO 0.05 0.47 0.39 0.00 -1.93 0.00 0.00 178.83 177.82 1bvi h ALA 21 N 0.99 0.91 -0.45 3.38 0.00 -1.28 0.82 119.26 123.63 1bvi h ALA 21 Ca 0.11 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 1bvi h ALA 21 Cb 0.15 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1bvi h ALA 21 CO -0.01 0.10 -0.01 0.00 0.00 0.00 0.00 179.25 179.32 1bvi h ALA 22 N 1.34 0.61 -0.37 0.00 0.00 -1.36 -1.76 119.26 117.72 1bvi h ALA 22 Ca 0.30 -0.28 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 1bvi h ALA 22 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1bvi h ALA 22 CO -0.16 0.42 -0.35 0.78 0.00 0.00 0.00 179.25 179.94 1bvi h GLY 23 N 0.66 0.92 1.01 0.00 0.00 -0.83 -2.85 103.07 101.98 1bvi h GLY 23 Ca 0.13 -0.89 -0.09 0.00 0.00 0.00 0.00 47.33 46.47 1bvi h GLY 23 CO 0.03 0.81 -0.07 -1.82 0.00 0.00 0.00 176.54 175.49 1bvi h TYR 24 N 0.70 0.96 -0.78 5.60 3.20 -0.79 -2.34 116.97 123.51 1bvi h TYR 24 Ca 0.07 -0.19 0.06 0.00 3.14 0.00 0.00 58.73 61.81 1bvi h TYR 24 Cb 0.91 -0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.88 1bvi h TYR 24 CO 0.05 0.93 0.47 -0.22 -1.64 0.00 0.00 178.16 177.75 1bvi h LYS 25 N 0.70 0.83 -0.53 1.82 1.63 -1.29 0.16 116.57 119.90 1bvi h LYS 25 Ca 0.12 -0.05 -0.10 0.00 -0.85 0.00 0.00 60.65 59.78 1bvi h LYS 25 Cb 0.60 -0.19 -0.02 0.00 -0.60 0.00 0.00 32.23 32.02 1bvi h LYS 25 CO 0.04 0.55 -0.05 -0.07 -3.45 0.00 0.00 179.45 176.47 1bvi h LEU 26 N 0.86 0.93 -0.56 5.20 3.38 -1.33 -1.64 115.31 122.16 1bvi h LEU 26 Ca 0.34 -0.27 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 1bvi h LEU 26 Cb 0.18 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.65 1bvi h LEU 26 CO -0.18 1.02 0.15 -0.74 0.09 0.00 0.00 178.44 178.78 1bvi h HIS 27 N 0.86 0.93 -0.83 1.13 2.76 -0.73 -0.40 115.15 118.88 1bvi h HIS 27 Ca 0.15 -0.10 0.05 0.00 -2.20 0.00 0.00 60.37 58.27 1bvi h HIS 27 Cb 0.58 -0.26 -0.06 0.00 1.55 0.00 0.00 27.41 29.22 1bvi h HIS 27 CO 0.04 0.79 0.51 1.49 -1.30 0.00 0.00 177.93 179.46 1bvi h GLU 28 N 0.79 0.93 -0.00 5.26 4.81 -0.42 -1.76 114.58 124.19 1bvi h GLU 28 Ca 0.18 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 1bvi h GLU 28 Cb 0.32 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.49 1bvi h GLU 28 CO -0.00 0.61 -0.11 -0.25 -0.73 0.00 0.00 179.01 178.54 1bvi n ASP 29 N -4.62 0.60 -0.25 1.04 8.00 -0.64 -4.92 116.55 115.75 1bvi n ASP 29 Ca 0.11 -0.74 -0.03 0.00 0.71 0.00 0.00 54.79 54.84 1bvi n ASP 29 Cb 0.15 -0.04 -0.01 0.00 -0.02 0.00 0.00 41.12 41.20 1bvi n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1bvi n GLY 30 N 1.25 0.61 3.89 0.44 0.00 -0.44 -5.02 105.19 105.93 1bvi n GLY 30 Ca 0.15 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 1bvi n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1bvi s GLU 31 N -1.58 3.61 0.09 1.61 2.02 -0.29 -5.00 118.70 119.16 1bvi s GLU 31 Ca 0.00 -0.10 0.03 0.00 0.02 0.00 0.00 54.97 54.93 1bvi s GLU 31 Cb 0.00 -2.92 -0.03 0.00 0.10 0.00 0.00 34.13 31.28 1bvi s GLU 31 CO 0.00 0.52 -0.10 0.95 0.02 0.00 0.00 175.26 176.65 1bvi s THR 32 N -1.56 0.87 0.10 3.63 -4.23 -1.26 -4.28 115.64 108.90 1bvi s THR 32 Ca 0.38 -1.59 0.02 0.00 -1.18 0.00 0.00 61.69 59.32 1bvi s THR 32 Cb -0.13 -1.29 -0.04 0.00 1.34 0.00 0.00 72.50 72.38 1bvi s THR 32 CO 0.23 -0.56 -0.07 0.68 -0.54 0.00 0.00 174.62 174.36 1bvi s VAL 33 N -2.40 0.73 0.00 2.29 -7.23 0.32 -4.88 120.40 109.23 1bvi s VAL 33 Ca 0.04 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.38 1bvi s VAL 33 Cb -0.03 -1.56 0.00 0.00 0.56 0.00 0.00 36.38 35.35 1bvi s VAL 33 CO -0.00 -0.79 0.00 0.61 -0.31 0.00 0.00 175.10 174.61 1bvi n GLY 34 N 0.15 -1.65 0.24 2.32 0.00 -1.25 -1.25 105.19 103.75 1bvi n GLY 34 Ca -0.13 -1.55 0.09 0.00 0.00 0.00 0.00 46.02 44.43 1bvi n GLY 34 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1bvi h SER 35 N 0.00 0.00 -0.38 1.61 4.64 -1.87 -2.31 113.55 115.24 1bvi h SER 35 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bvi h SER 35 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1bvi h SER 35 CO 0.00 0.17 0.00 0.59 -0.87 0.00 0.00 176.83 176.72 1bvi n ASN 36 N -3.87 2.45 -3.37 4.97 4.13 -1.26 -4.99 115.26 113.33 1bvi n ASN 36 Ca -0.02 -1.92 -0.12 0.00 1.68 0.00 0.00 54.58 54.20 1bvi n ASN 36 Cb 0.27 -0.25 0.01 0.00 -1.54 0.00 0.00 39.78 38.27 1bvi n ASN 36 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 1bvi n SER 37 N 0.83 -6.56 -4.87 6.41 7.64 -0.87 -4.89 113.62 111.31 1bvi n SER 37 Ca 0.17 -0.49 -0.35 0.00 1.01 0.00 0.00 58.87 59.21 1bvi n SER 37 Cb 0.41 -3.96 -0.05 0.00 -1.01 0.00 0.00 64.21 59.60 1bvi n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1bvi s TYR 38 N -3.07 3.59 0.39 1.43 2.02 -0.38 -3.75 117.35 117.59 1bvi s TYR 38 Ca 0.07 0.69 -0.15 0.00 -0.37 0.00 0.00 57.07 57.31 1bvi s TYR 38 Cb -0.02 -2.08 -0.09 0.00 -0.40 0.00 0.00 41.96 39.38 1bvi s TYR 38 CO 0.81 0.59 0.83 -1.25 -1.57 0.00 0.00 175.55 174.95 1bvi s PRO 39 N -1.73 3.99 0.17 -1.71 0.04 -1.26 -0.52 135.00 133.98 1bvi s PRO 39 Ca 0.29 0.76 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1bvi s PRO 39 Cb -0.14 -2.32 -0.04 0.00 0.04 0.00 0.00 34.50 32.04 1bvi s PRO 39 CO 0.16 0.00 0.08 -3.38 0.04 0.00 0.00 177.00 173.91 1bvi s HIS 40 N -2.22 1.07 0.27 0.56 -3.43 -1.14 -4.92 115.29 105.48 1bvi s HIS 40 Ca 0.56 -1.27 -0.30 0.00 -0.80 0.00 0.00 55.06 53.25 1bvi s HIS 40 Cb -0.10 -0.57 -0.11 0.00 -1.43 0.00 0.00 32.58 30.37 1bvi s HIS 40 CO 0.22 -0.52 1.63 0.15 -2.00 0.00 0.00 174.74 174.22 1bvi s LYS 41 N -4.08 4.12 -0.35 -0.38 1.02 -1.26 -0.63 119.74 118.18 1bvi s LYS 41 Ca 0.31 2.59 -0.08 0.00 0.02 0.00 0.00 55.97 58.81 1bvi s LYS 41 Cb 0.07 -3.04 0.03 0.00 -0.52 0.00 0.00 37.83 34.38 1bvi s LYS 41 CO 0.07 -0.67 0.14 -0.47 -0.92 0.00 0.00 175.35 173.50 1bvi s TYR 42 N 0.31 3.25 -1.56 3.18 5.04 0.02 -4.74 117.35 122.84 1bvi s TYR 42 Ca 0.66 -1.22 0.27 0.00 -2.44 0.00 0.00 57.07 54.35 1bvi s TYR 42 Cb -0.48 -2.34 1.44 0.00 0.35 0.00 0.00 41.96 40.93 1bvi s TYR 42 CO 0.44 -0.69 1.95 0.09 -1.34 0.00 0.00 175.55 176.00 1bvi n ASN 43 N 4.89 0.00 -2.99 4.32 3.02 -1.26 -4.13 115.26 119.11 1bvi n ASN 43 Ca -0.12 -0.28 -0.16 0.00 -0.03 0.00 0.00 54.58 53.99 1bvi n ASN 43 Cb 0.45 -0.22 0.07 0.00 -0.61 0.00 0.00 39.78 39.47 1bvi n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1bvi n ASN 44 N -1.22 -3.40 0.28 6.41 5.15 -1.26 -4.91 115.26 116.32 1bvi n ASN 44 Ca 0.15 -0.48 0.15 0.00 -0.60 0.00 0.00 54.58 53.80 1bvi n ASN 44 Cb 0.19 -4.23 0.83 0.00 -0.53 0.00 0.00 39.78 36.04 1bvi n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1bvi h TYR 45 N -1.80 0.00 0.00 1.20 0.05 -2.00 -0.92 116.97 113.50 1bvi h TYR 45 Ca -0.47 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.31 1bvi h TYR 45 Cb 1.29 0.00 0.00 0.00 1.01 0.00 0.00 36.73 39.03 1bvi h TYR 45 CO 0.38 0.07 0.00 0.93 -1.05 0.00 0.00 178.16 178.48 1bvi h GLU 46 N 0.00 0.00 -2.84 4.88 3.07 -1.93 -3.47 114.58 114.28 1bvi h GLU 46 Ca -0.00 0.00 -0.22 0.00 -0.50 0.00 0.00 59.36 58.64 1bvi h GLU 46 Cb 0.22 0.00 0.04 0.00 -0.84 0.00 0.00 28.75 28.17 1bvi h GLU 46 CO 0.01 0.00 -0.34 0.41 -1.40 0.00 0.00 179.01 177.69 1bvi n GLY 47 N 0.86 0.06 3.76 -3.84 0.00 -0.35 -4.98 105.19 100.71 1bvi n GLY 47 Ca 0.04 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 1bvi n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1bvi s PHE 48 N -2.94 2.95 -1.34 1.61 0.08 -1.26 -4.89 117.98 112.19 1bvi s PHE 48 Ca 0.20 1.23 -0.10 0.00 0.12 0.00 0.00 56.93 58.38 1bvi s PHE 48 Cb -0.09 -3.79 0.13 0.00 -0.57 0.00 0.00 43.02 38.70 1bvi s PHE 48 CO 0.24 -2.36 2.04 -0.25 -0.10 0.00 0.00 175.22 174.79 1bvi n ASP 49 N 1.28 5.19 -4.75 1.36 8.00 -1.26 -4.98 116.55 121.38 1bvi n ASP 49 Ca 0.03 -3.03 -0.39 0.00 0.71 0.00 0.00 54.79 52.11 1bvi n ASP 49 Cb 0.41 -1.51 0.03 0.00 -0.02 0.00 0.00 41.12 40.03 1bvi n ASP 49 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 1bvi s PHE 50 N 0.94 2.34 -0.47 1.24 0.08 -1.26 -4.94 117.98 115.92 1bvi s PHE 50 Ca 0.43 1.36 0.24 0.00 0.12 0.00 0.00 56.93 59.08 1bvi s PHE 50 Cb 0.12 -3.81 0.35 0.00 -0.57 0.00 0.00 43.02 39.11 1bvi s PHE 50 CO -0.03 -2.86 1.49 0.77 -0.10 0.00 0.00 175.22 174.50 1bvi h SER 51 N 1.65 0.00 -2.59 1.36 0.02 -1.94 -3.46 113.55 108.59 1bvi h SER 51 Ca -0.51 -0.02 -0.57 0.00 -0.84 0.00 0.00 61.79 59.85 1bvi h SER 51 Cb 1.29 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 63.75 1bvi h SER 51 CO 0.58 0.01 -0.60 0.68 -1.14 0.00 0.00 176.83 176.36 1bvi s VAL 52 N -3.22 4.04 0.56 2.27 -7.23 -1.26 -5.12 120.40 110.44 1bvi s VAL 52 Ca 0.06 -1.40 -0.16 0.00 -1.81 0.00 0.00 61.98 58.67 1bvi s VAL 52 Cb 0.08 -3.09 -0.05 0.00 0.56 0.00 0.00 36.38 33.88 1bvi s VAL 52 CO 0.69 -0.20 1.03 -0.94 -0.31 0.00 0.00 175.10 175.37 1bvi s SER 53 N -3.28 6.16 0.90 4.85 1.04 -1.26 -5.06 113.70 117.06 1bvi s SER 53 Ca 0.30 1.69 -0.13 0.00 0.48 0.00 0.00 55.95 58.29 1bvi s SER 53 Cb -0.09 -2.52 0.14 0.00 0.10 0.00 0.00 66.02 63.65 1bvi s SER 53 CO 0.21 -0.91 1.18 -0.94 0.98 0.00 0.00 173.24 173.77 1bvi s SER 54 N -2.97 3.63 0.53 7.02 1.04 -1.26 -4.74 113.70 116.95 1bvi s SER 54 Ca 0.61 0.76 -0.19 0.00 0.48 0.00 0.00 55.95 57.61 1bvi s SER 54 Cb -0.13 -1.20 -0.06 0.00 0.10 0.00 0.00 66.02 64.73 1bvi s SER 54 CO 0.35 -2.46 1.09 -2.16 0.98 0.00 0.00 173.24 171.05 1bvi s PRO 55 N -5.49 3.48 0.17 4.02 0.04 -1.26 -4.87 135.00 131.08 1bvi s PRO 55 Ca 0.65 1.49 0.06 0.00 0.04 0.00 0.00 61.00 63.24 1bvi s PRO 55 Cb -0.11 -2.03 -0.04 0.00 0.04 0.00 0.00 34.50 32.35 1bvi s PRO 55 CO 0.52 -0.72 0.09 0.71 0.04 0.00 0.00 177.00 177.64 1bvi s TYR 56 N -1.91 3.05 0.00 0.56 2.02 -1.26 -3.41 117.35 116.41 1bvi s TYR 56 Ca 0.70 -0.05 0.02 0.00 -0.37 0.00 0.00 57.07 57.37 1bvi s TYR 56 Cb -0.21 -1.47 -0.01 0.00 -0.40 0.00 0.00 41.96 39.87 1bvi s TYR 56 CO 0.26 0.52 -0.08 0.71 -1.57 0.00 0.00 175.55 175.39 1bvi s TYR 57 N -1.74 0.70 0.03 2.71 1.51 0.40 -0.80 117.35 120.16 1bvi s TYR 57 Ca 0.30 -0.19 0.03 0.00 -1.01 0.00 0.00 57.07 56.20 1bvi s TYR 57 Cb -0.10 -0.44 -0.04 0.00 -0.11 0.00 0.00 41.96 41.27 1bvi s TYR 57 CO 0.22 -0.02 -0.01 -1.83 -1.11 0.00 0.00 175.55 172.80 1bvi s GLU 58 N -0.43 2.66 -0.14 -0.62 -1.05 0.20 -1.75 118.70 117.56 1bvi s GLU 58 Ca 0.01 -0.71 -0.10 0.00 -0.15 0.00 0.00 54.97 54.02 1bvi s GLU 58 Cb -0.04 -2.59 0.05 0.00 -0.44 0.00 0.00 34.13 31.10 1bvi s GLU 58 CO -0.00 0.59 0.36 -0.46 0.95 0.00 0.00 175.26 176.70 1bvi s TRP 59 N -1.14 -0.47 0.40 4.83 -0.11 -0.45 -2.89 118.94 119.11 1bvi s TRP 59 Ca 0.21 1.06 -0.26 0.00 1.22 0.00 0.00 56.10 58.32 1bvi s TRP 59 Cb -0.11 0.17 -0.09 0.00 -1.50 0.00 0.00 33.47 31.94 1bvi s TRP 59 CO 0.12 -0.26 1.32 -2.14 -4.62 0.00 0.00 176.95 171.37 1bvi s PRO 60 N 0.89 4.01 -0.12 5.86 0.02 -1.26 0.11 135.00 144.52 1bvi s PRO 60 Ca -0.06 2.21 0.02 0.00 0.02 0.00 0.00 61.00 63.19 1bvi s PRO 60 Cb -0.06 -2.81 0.01 0.00 0.02 0.00 0.00 34.50 31.66 1bvi s PRO 60 CO -0.07 -0.47 -0.19 -1.50 -0.33 0.00 0.00 177.00 174.44 1bvi s ILE 61 N -1.23 1.79 -0.09 2.83 2.07 -1.02 -4.53 121.20 121.02 1bvi s ILE 61 Ca 0.56 -0.82 -0.12 0.00 -1.41 0.00 0.00 60.65 58.85 1bvi s ILE 61 Cb -0.39 -1.60 -0.05 0.00 0.13 0.00 0.00 42.46 40.55 1bvi s ILE 61 CO 0.51 0.50 0.29 -0.76 -1.91 0.00 0.00 174.94 173.57 1bvi s LEU 62 N 0.86 4.37 0.59 8.50 1.43 -1.26 -4.46 118.68 128.71 1bvi s LEU 62 Ca -0.08 0.66 0.37 0.00 -1.03 0.00 0.00 54.13 54.06 1bvi s LEU 62 Cb -0.15 -2.37 1.81 0.00 0.03 0.00 0.00 46.19 45.50 1bvi s LEU 62 CO -0.01 0.27 2.15 0.77 0.23 0.00 0.00 176.35 179.76 1bvi h SER 63 N 5.49 0.00 1.06 2.29 4.64 -1.96 -1.98 113.55 123.09 1bvi h SER 63 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1bvi h SER 63 Cb 1.20 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.29 1bvi h SER 63 CO 0.66 0.02 0.00 0.77 -0.87 0.00 0.00 176.83 177.41 1bvi h SER 64 N 0.00 0.00 0.00 4.97 4.64 -2.00 -3.47 113.55 117.69 1bvi h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1bvi h SER 64 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1bvi h SER 64 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 1bvi n GLY 65 N 0.50 0.73 3.87 -0.77 0.00 -0.75 -5.06 105.19 103.71 1bvi n GLY 65 Ca 0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.75 1bvi n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1bvi s ASP 66 N -2.66 6.47 0.07 1.61 1.01 -1.26 -5.01 116.67 116.89 1bvi s ASP 66 Ca 0.00 1.26 -0.27 0.00 0.71 0.00 0.00 52.55 54.24 1bvi s ASP 66 Cb 0.00 -2.38 -0.05 0.00 1.01 0.00 0.00 42.92 41.50 1bvi s ASP 66 CO 0.00 -0.54 0.86 -0.69 0.21 0.00 0.00 175.17 175.02 1bvi s VAL 67 N -2.60 4.65 0.27 -1.27 1.01 -1.26 -4.22 120.40 116.98 1bvi s VAL 67 Ca 0.53 1.85 -0.31 0.00 0.00 0.00 0.00 61.98 64.05 1bvi s VAL 67 Cb -0.10 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 1bvi s VAL 67 CO 0.36 0.32 1.58 0.00 0.00 0.00 0.00 175.10 177.37 1bvi n TYR 68 N 2.92 2.70 -1.54 5.22 9.36 -1.26 -4.91 117.16 129.65 1bvi n TYR 68 Ca 0.00 0.25 0.02 0.00 3.32 0.00 0.00 57.90 61.49 1bvi n TYR 68 Cb 0.50 -2.58 0.02 0.00 -0.63 0.00 0.00 39.34 36.65 1bvi n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1bvi n SER 69 N 2.47 0.48 0.00 2.98 3.41 -1.26 -5.01 113.62 116.68 1bvi n SER 69 Ca 0.10 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.75 1bvi n SER 69 Cb 0.35 -0.18 0.00 0.00 -0.26 0.00 0.00 64.21 64.12 1bvi n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1bvi n GLY 70 N -0.25 1.53 0.00 5.00 0.00 -1.26 -4.71 105.19 105.50 1bvi n GLY 70 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1bvi n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1bvi n GLY 71 N 0.00 1.01 3.68 -0.02 0.00 -1.26 -3.81 105.19 104.79 1bvi n GLY 71 Ca 0.00 -1.48 -0.42 0.00 0.00 0.00 0.00 46.02 44.12 1bvi n GLY 71 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1bvi s SER 72 N -1.00 6.72 0.48 1.61 0.01 -1.26 -4.79 113.70 115.47 1bvi s SER 72 Ca 0.00 2.28 0.30 0.00 1.31 0.00 0.00 55.95 59.84 1bvi s SER 72 Cb 0.00 -2.56 1.10 0.00 0.21 0.00 0.00 66.02 64.77 1bvi s SER 72 CO 0.00 -0.82 1.87 1.55 0.41 0.00 0.00 173.24 176.25 1bvi h PRO 73 N 8.32 0.00 0.00 12.44 0.13 -1.99 -3.50 132.00 147.40 1bvi h PRO 73 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 1bvi h PRO 73 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1bvi h PRO 73 CO 0.92 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.10 1bvi n GLY 74 N 0.30 -1.58 0.02 1.56 0.00 -1.26 -4.48 105.19 99.74 1bvi n GLY 74 Ca 0.02 -1.28 0.11 0.00 0.00 0.00 0.00 46.02 44.86 1bvi n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvi n ALA 75 N 0.43 3.41 -2.72 4.61 0.00 -1.26 -4.99 120.51 120.00 1bvi n ALA 75 Ca 0.00 -0.49 -0.33 0.00 0.00 0.00 0.00 53.44 52.62 1bvi n ALA 75 Cb 0.00 -0.83 -0.05 0.00 0.00 0.00 0.00 19.45 18.57 1bvi n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1bvi s ASP 76 N -4.06 6.50 0.02 0.00 1.01 -1.26 -1.22 116.67 117.65 1bvi s ASP 76 Ca -0.01 0.57 -0.02 0.00 0.71 0.00 0.00 52.55 53.80 1bvi s ASP 76 Cb 0.14 -2.09 -0.02 0.00 1.01 0.00 0.00 42.92 41.97 1bvi s ASP 76 CO 0.87 0.15 0.01 -0.13 0.21 0.00 0.00 175.17 176.28 1bvi s ARG 77 N -2.24 0.37 -0.09 8.23 1.81 0.02 -2.45 118.95 124.61 1bvi s ARG 77 Ca 0.35 -0.59 -0.01 0.00 -1.72 0.00 0.00 55.73 53.75 1bvi s ARG 77 Cb -0.13 0.14 -0.03 0.00 -0.45 0.00 0.00 34.95 34.48 1bvi s ARG 77 CO 0.21 -0.07 -0.03 0.14 -0.68 0.00 0.00 175.30 174.87 1bvi s VAL 78 N -1.58 4.04 -0.17 3.52 -7.23 0.12 -1.10 120.40 118.00 1bvi s VAL 78 Ca -0.14 -0.34 -0.00 0.00 -1.81 0.00 0.00 61.98 59.68 1bvi s VAL 78 Cb -0.08 -2.69 -0.00 0.00 0.56 0.00 0.00 36.38 34.16 1bvi s VAL 78 CO -0.01 0.58 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.54 1bvi s VAL 79 N -0.65 2.72 0.19 1.32 1.01 0.06 -1.35 120.40 123.71 1bvi s VAL 79 Ca 0.10 -0.74 0.04 0.00 0.00 0.00 0.00 61.98 61.38 1bvi s VAL 79 Cb -0.12 -2.17 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 1bvi s VAL 79 CO 0.02 0.50 -0.05 0.72 0.00 0.00 0.00 175.10 176.29 1bvi s PHE 80 N 0.96 1.41 0.31 5.22 -0.12 -0.72 0.12 117.98 125.16 1bvi s PHE 80 Ca -0.02 -0.84 0.03 0.00 -0.05 0.00 0.00 56.93 56.05 1bvi s PHE 80 Cb -0.15 -0.77 0.03 0.00 -0.63 0.00 0.00 43.02 41.51 1bvi s PHE 80 CO -0.02 0.02 0.26 0.27 -0.05 0.00 0.00 175.22 175.70 1bvi n ASN 81 N -0.30 1.86 0.31 1.98 0.23 -0.78 -0.45 115.26 118.10 1bvi n ASN 81 Ca -0.08 -2.03 0.20 0.00 -0.53 0.00 0.00 54.58 52.15 1bvi n ASN 81 Cb 0.62 -0.06 0.97 0.00 -2.08 0.00 0.00 39.78 39.24 1bvi n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1bvi h GLU 82 N 0.00 0.00 -0.36 -3.83 4.81 -1.85 -1.87 114.58 111.48 1bvi h GLU 82 Ca -0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.04 1bvi h GLU 82 Cb 0.71 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1bvi h GLU 82 CO 0.29 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.67 1bvi n ASN 83 N -3.11 2.06 -3.14 1.04 5.03 -1.26 -4.92 115.26 110.96 1bvi n ASN 83 Ca -0.01 -1.95 -0.20 0.00 0.87 0.00 0.00 54.58 53.28 1bvi n ASN 83 Cb 0.18 -0.24 0.07 0.00 -1.02 0.00 0.00 39.78 38.77 1bvi n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1bvi n ASN 84 N 0.61 -5.74 -4.59 6.41 5.15 -0.70 -5.01 115.26 111.39 1bvi n ASN 84 Ca 0.14 -0.46 -0.34 0.00 -0.60 0.00 0.00 54.58 53.32 1bvi n ASN 84 Cb 0.34 -4.37 -0.11 0.00 -0.53 0.00 0.00 39.78 35.11 1bvi n ASN 84 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1bvi s GLN 85 N -6.12 2.86 -0.03 1.20 -0.21 -1.26 -4.92 119.66 111.18 1bvi s GLN 85 Ca 0.50 -0.52 -0.30 0.00 0.02 0.00 0.00 55.36 55.06 1bvi s GLN 85 Cb -0.22 -2.65 -0.04 0.00 1.00 0.00 0.00 33.01 31.10 1bvi s GLN 85 CO 0.62 0.64 1.28 -1.17 -2.12 0.00 0.00 175.29 174.54 1bvi s LEU 86 N -0.73 4.30 -0.14 2.90 2.96 -1.26 -1.87 118.68 124.83 1bvi s LEU 86 Ca 0.11 1.94 -0.02 0.00 -0.22 0.00 0.00 54.13 55.94 1bvi s LEU 86 Cb -0.11 -3.56 -0.24 0.00 0.50 0.00 0.00 46.19 42.78 1bvi s LEU 86 CO 0.02 -0.63 0.27 0.00 -1.32 0.00 0.00 176.35 174.69 1bvi n ALA 87 N 5.22 1.08 0.00 5.97 0.00 0.12 -4.86 120.51 128.04 1bvi n ALA 87 Ca 0.12 -0.74 0.00 0.00 0.00 0.00 0.00 53.44 52.82 1bvi n ALA 87 Cb 0.45 -0.57 0.00 0.00 0.00 0.00 0.00 19.45 19.33 1bvi n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1bvi n GLY 88 N 1.99 0.85 3.22 0.00 0.00 -1.06 -4.68 105.19 105.51 1bvi n GLY 88 Ca -0.33 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.36 1bvi n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1bvi s VAL 89 N -2.00 2.36 0.32 1.61 1.01 -1.26 -0.76 120.40 121.68 1bvi s VAL 89 Ca 0.00 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.14 1bvi s VAL 89 Cb 0.00 -1.97 -0.06 0.00 0.00 0.00 0.00 36.38 34.35 1bvi s VAL 89 CO 0.00 0.53 0.05 0.27 0.00 0.00 0.00 175.10 175.95 1bvi s ILE 90 N 0.80 1.21 0.02 2.22 -4.36 -0.26 -1.12 121.20 119.71 1bvi s ILE 90 Ca -0.07 -2.01 -0.20 0.00 -0.26 0.00 0.00 60.65 58.12 1bvi s ILE 90 Cb -0.15 -2.76 0.04 0.00 1.25 0.00 0.00 42.46 40.84 1bvi s ILE 90 CO -0.01 -0.03 0.45 0.28 0.24 0.00 0.00 174.94 175.87 1bvi s THR 91 N -3.28 0.04 -0.42 8.37 -1.32 -0.11 -0.80 115.64 118.13 1bvi s THR 91 Ca 0.36 -0.36 0.23 0.00 -1.21 0.00 0.00 61.69 60.71 1bvi s THR 91 Cb 0.08 -0.89 0.24 0.00 -1.51 0.00 0.00 72.50 70.42 1bvi s THR 91 CO 0.15 -0.20 1.47 0.45 -2.21 0.00 0.00 174.62 174.28 1bvi h HIS 92 N 3.15 0.00 -2.53 9.09 3.86 -1.38 -0.41 115.15 126.93 1bvi h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.37 1bvi h HIS 92 Cb 1.19 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.68 1bvi h HIS 92 CO 0.42 0.00 1.12 0.99 0.86 0.00 0.00 177.93 181.32 1bvi s THR 93 N -3.24 3.07 0.00 2.45 2.01 -1.26 -1.73 115.64 116.95 1bvi s THR 93 Ca 0.05 0.30 0.00 0.00 0.31 0.00 0.00 61.69 62.35 1bvi s THR 93 Cb 0.07 -3.19 0.00 0.00 0.01 0.00 0.00 72.50 69.39 1bvi s THR 93 CO 0.70 -0.02 0.00 0.61 -0.69 0.00 0.00 174.62 175.22 1bvi n GLY 94 N 4.26 0.75 3.46 4.40 0.00 -1.26 -4.75 105.19 112.06 1bvi n GLY 94 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1bvi n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1bvi s ALA 95 N -2.83 2.60 0.66 4.61 0.00 -0.70 -5.01 121.76 121.08 1bvi s ALA 95 Ca 0.00 -1.38 -0.04 0.00 0.00 0.00 0.00 51.96 50.54 1bvi s ALA 95 Cb 0.00 -0.58 0.05 0.00 0.00 0.00 0.00 23.12 22.59 1bvi s ALA 95 CO 0.00 0.58 0.94 -1.54 0.00 0.00 0.00 175.76 175.74 1bvi s SER 96 N -2.11 4.96 0.88 0.00 1.04 -1.26 -4.84 113.70 112.36 1bvi s SER 96 Ca 0.17 0.31 0.00 0.00 0.48 0.00 0.00 55.95 56.91 1bvi s SER 96 Cb -0.10 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 64.98 1bvi s SER 96 CO 0.09 -1.46 0.00 0.61 0.98 0.00 0.00 173.24 173.46 1bvi n GLY 97 N -2.74 2.75 1.06 7.32 0.00 -1.26 -1.93 105.19 110.39 1bvi n GLY 97 Ca 0.08 -0.17 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 1bvi n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1bvi n ASN 98 N 1.71 2.97 -4.82 1.61 5.15 -1.26 -5.02 115.26 115.59 1bvi n ASN 98 Ca 0.00 -3.50 -0.29 0.00 -0.60 0.00 0.00 54.58 50.19 1bvi n ASN 98 Cb 0.00 -0.61 0.10 0.00 -0.53 0.00 0.00 39.78 38.74 1bvi n ASN 98 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1bvi s ASN 99 N -2.32 4.32 0.15 1.20 0.01 -0.81 -5.05 114.94 112.44 1bvi s ASN 99 Ca 0.44 1.10 0.08 0.00 -0.71 0.00 0.00 52.86 53.76 1bvi s ASN 99 Cb 0.38 -1.76 -0.04 0.00 0.41 0.00 0.00 41.25 40.25 1bvi s ASN 99 CO 0.03 -2.06 -0.17 -0.36 -1.51 0.00 0.00 177.10 173.04 1bvi s PHE 100 N -3.28 1.67 0.13 2.20 0.08 -1.26 -4.43 117.98 113.09 1bvi s PHE 100 Ca 0.62 -0.51 0.05 0.00 0.12 0.00 0.00 56.93 57.21 1bvi s PHE 100 Cb -0.14 -0.84 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 1bvi s PHE 100 CO 0.53 0.26 -0.11 0.14 -0.10 0.00 0.00 175.22 175.94 1bvi s VAL 101 N -2.12 1.18 0.37 -0.44 -7.23 -0.16 -4.94 120.40 107.06 1bvi s VAL 101 Ca 0.14 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 58.17 1bvi s VAL 101 Cb -0.05 -1.67 -0.10 0.00 0.56 0.00 0.00 36.38 35.12 1bvi s VAL 101 CO 0.05 -0.62 0.96 -1.83 -0.31 0.00 0.00 175.10 173.36 1bvi s GLU 102 N -3.26 4.41 -0.16 4.82 1.03 -1.26 -0.93 118.70 123.34 1bvi s GLU 102 Ca 0.12 1.29 -0.16 0.00 0.03 0.00 0.00 54.97 56.26 1bvi s GLU 102 Cb -0.01 -2.57 -0.04 0.00 -0.80 0.00 0.00 34.13 30.71 1bvi s GLU 102 CO 0.01 0.12 0.37 0.00 -1.33 0.00 0.00 175.26 174.43