#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1low h ASP 3 N 5.10 0.00 -3.48 0.00 3.32 -1.37 -3.44 116.42 116.56 1low h ASP 3 Ca -0.48 0.00 -0.29 0.00 0.02 0.00 0.00 57.03 56.29 1low h ASP 3 Cb 1.21 0.00 -0.34 0.00 0.22 0.00 0.00 39.33 40.42 1low h ASP 3 CO 0.66 0.97 -0.69 -0.31 -1.72 0.00 0.00 179.24 178.15 1low s TYR 4 N -2.72 -0.03 -0.24 4.55 2.02 -0.73 -4.97 117.35 115.23 1low s TYR 4 Ca 0.01 0.24 0.01 0.00 -0.37 0.00 0.00 57.07 56.96 1low s TYR 4 Cb 0.10 -0.21 0.04 0.00 -0.40 0.00 0.00 41.96 41.49 1low s TYR 4 CO 0.82 -0.12 -0.11 0.99 -1.57 0.00 0.00 175.55 175.56 1low s THR 5 N 1.19 2.43 -0.52 -0.71 2.01 -1.26 -1.49 115.64 117.27 1low s THR 5 Ca -0.08 -1.24 -0.05 0.00 0.31 0.00 0.00 61.69 60.63 1low s THR 5 Cb -0.13 -2.26 0.14 0.00 0.01 0.00 0.00 72.50 70.26 1low s THR 5 CO -0.04 0.19 0.36 0.00 -0.69 0.00 0.00 174.62 174.43 1low n GLY 7 N 4.28 2.00 0.01 0.00 0.00 -1.26 -0.88 105.19 109.33 1low n GLY 7 Ca 0.01 0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.35 1low n GLY 7 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1low n SER 8 N 10.98 0.73 -4.74 1.61 7.64 -1.26 -4.95 113.62 123.62 1low n SER 8 Ca 0.00 -0.65 -0.40 0.00 1.01 0.00 0.00 58.87 58.82 1low n SER 8 Cb 0.00 1.10 -0.05 0.00 -1.01 0.00 0.00 64.21 64.25 1low n SER 8 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1low s ASN 9 N -3.41 7.38 -0.20 6.43 0.01 -0.06 -5.05 114.94 120.03 1low s ASN 9 Ca 0.05 1.64 -0.05 0.00 -0.71 0.00 0.00 52.86 53.79 1low s ASN 9 Cb 0.16 -2.53 -0.02 0.00 0.41 0.00 0.00 41.25 39.26 1low s ASN 9 CO 0.86 -0.00 -0.01 0.00 -1.51 0.00 0.00 177.10 176.43 1low s TYR 11 N 1.07 1.77 0.32 0.00 2.02 -0.56 -5.03 117.35 116.94 1low s TYR 11 Ca 0.02 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.43 1low s TYR 11 Cb -0.14 -1.13 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1low s TYR 11 CO 0.01 -0.02 0.46 -1.54 -1.57 0.00 0.00 175.55 172.89 1low s SER 12 N -0.51 6.08 0.51 2.29 1.04 -1.26 -0.89 113.70 120.96 1low s SER 12 Ca 0.08 -0.03 0.17 0.00 0.48 0.00 0.00 55.95 56.65 1low s SER 12 Cb -0.08 -1.49 1.27 0.00 0.10 0.00 0.00 66.02 65.83 1low s SER 12 CO -0.01 -0.35 2.13 0.77 0.98 0.00 0.00 173.24 176.77 1low h SER 13 N 0.91 0.00 0.27 7.02 4.64 -1.98 -0.02 113.55 124.40 1low h SER 13 Ca -0.48 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.74 1low h SER 13 Cb 1.25 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.32 1low h SER 13 CO 0.56 0.03 -0.42 0.77 -0.87 0.00 0.00 176.83 176.89 1low h SER 14 N 0.00 0.21 -0.50 4.97 4.64 -1.99 -1.17 113.55 119.71 1low h SER 14 Ca -0.00 -0.09 -0.10 0.00 -0.47 0.00 0.00 61.79 61.13 1low h SER 14 Cb 0.05 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.06 1low h SER 14 CO 0.00 0.62 -0.08 0.44 -0.87 0.00 0.00 176.83 176.94 1low h ASP 15 N 0.17 0.96 -0.29 4.97 3.32 -1.39 -2.35 116.42 121.81 1low h ASP 15 Ca 0.01 -0.30 -0.08 0.00 0.02 0.00 0.00 57.03 56.69 1low h ASP 15 Cb 0.82 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 1low h ASP 15 CO 0.06 1.06 -0.12 0.58 -1.72 0.00 0.00 179.24 179.10 1low h VAL 16 N 0.87 1.29 -0.76 -1.35 2.07 -1.12 -2.59 116.25 114.65 1low h VAL 16 Ca 0.14 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.42 1low h VAL 16 Cb 0.62 1.46 -0.03 0.00 -1.52 0.00 0.00 31.29 31.82 1low h VAL 16 CO 0.04 0.38 0.32 0.28 0.02 0.00 0.00 177.57 178.61 1low h SER 17 N 0.34 1.04 -0.18 0.57 0.02 -1.15 0.10 113.55 114.30 1low h SER 17 Ca 0.07 -0.16 -0.01 0.00 -0.84 0.00 0.00 61.79 60.84 1low h SER 17 Cb 0.63 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.89 1low h SER 17 CO 0.04 0.92 0.07 0.74 -1.14 0.00 0.00 176.83 177.46 1low h THR 18 N 1.10 1.15 -0.37 -2.27 2.02 -1.41 0.16 112.91 113.28 1low h THR 18 Ca 0.26 -0.46 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1low h THR 18 Cb 0.19 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.72 1low h THR 18 CO -0.02 0.15 0.17 0.00 0.37 0.00 0.00 175.52 176.19 1low h ALA 19 N 0.92 0.48 -0.81 6.16 0.00 -1.26 -2.66 119.26 122.09 1low h ALA 19 Ca 0.06 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.83 1low h ALA 19 Cb 0.16 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.77 1low h ALA 19 CO -0.01 0.05 0.39 0.37 0.00 0.00 0.00 179.25 180.06 1low h GLN 20 N 0.46 1.16 -0.74 0.00 4.15 -0.66 -1.75 115.11 117.73 1low h GLN 20 Ca 0.13 -0.17 0.01 0.00 0.77 0.00 0.00 58.65 59.39 1low h GLN 20 Cb 0.13 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 27.57 1low h GLN 20 CO -0.02 0.89 0.49 0.00 -1.93 0.00 0.00 178.83 178.26 1low h ALA 21 N 1.21 0.94 -0.04 3.38 0.00 -0.81 -1.11 119.26 122.83 1low h ALA 21 Ca 0.28 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1low h ALA 21 Cb 0.11 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 1low h ALA 21 CO -0.04 0.36 0.00 0.00 0.00 0.00 0.00 179.25 179.57 1low h ALA 22 N 1.27 0.05 -0.44 0.00 0.00 -1.15 -2.56 119.26 116.43 1low h ALA 22 Ca 0.27 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1low h ALA 22 Cb -0.12 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 1low h ALA 22 CO -0.06 -0.29 0.23 0.78 0.00 0.00 0.00 179.25 179.92 1low h GLY 23 N -0.22 0.61 1.02 0.00 0.00 -1.15 -2.71 103.07 100.62 1low h GLY 23 Ca 0.01 -0.17 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 1low h GLY 23 CO 0.00 0.13 0.48 -1.82 0.00 0.00 0.00 176.54 175.33 1low h TYR 24 N 0.47 1.16 -0.57 5.60 3.20 -1.20 -1.71 116.97 123.92 1low h TYR 24 Ca 0.19 -0.02 0.02 0.00 3.14 0.00 0.00 58.73 62.05 1low h TYR 24 Cb 0.07 -0.37 -0.03 0.00 1.54 0.00 0.00 36.73 37.93 1low h TYR 24 CO -0.09 0.80 0.36 -0.22 -1.64 0.00 0.00 178.16 177.36 1low h LYS 25 N 1.19 0.69 -0.51 1.82 3.64 -1.16 0.69 116.57 122.93 1low h LYS 25 Ca 0.30 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 59.58 1low h LYS 25 Cb 0.01 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 1low h LYS 25 CO -0.05 0.46 0.07 -0.07 -2.27 0.00 0.00 179.45 177.58 1low h LEU 26 N 0.71 0.76 -0.36 5.20 3.38 -1.21 -2.20 115.31 121.58 1low h LEU 26 Ca 0.22 -0.16 0.02 0.00 0.09 0.00 0.00 57.88 58.05 1low h LEU 26 Cb -0.01 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.51 1low h LEU 26 CO -0.08 0.79 0.20 -0.74 0.09 0.00 0.00 178.44 178.69 1low h HIS 27 N 0.77 0.37 -0.37 1.13 2.76 -0.26 -0.63 115.15 118.91 1low h HIS 27 Ca 0.16 0.01 -0.02 0.00 -2.20 0.00 0.00 60.37 58.33 1low h HIS 27 Cb 0.36 -0.11 -0.02 0.00 1.55 0.00 0.00 27.41 29.19 1low h HIS 27 CO 0.02 0.21 0.16 0.93 -1.30 0.00 0.00 177.93 177.95 1low h GLU 28 N 0.41 0.52 -0.01 5.26 5.08 -0.49 -1.81 114.58 123.54 1low h GLU 28 Ca 0.15 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1low h GLU 28 Cb 0.03 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1low h GLU 28 CO -0.08 0.43 -0.08 -0.25 -1.00 0.00 0.00 179.01 178.03 1low n ASP 29 N -4.39 0.91 -1.94 1.42 8.00 -0.80 -4.92 116.55 114.81 1low n ASP 29 Ca 0.02 -1.07 -0.17 0.00 0.71 0.00 0.00 54.79 54.29 1low n ASP 29 Cb 0.13 0.01 -0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1low n ASP 29 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1low n GLY 30 N 1.21 -0.28 3.59 0.44 0.00 -0.33 -4.99 105.19 104.82 1low n GLY 30 Ca 0.17 -0.16 -0.28 0.00 0.00 0.00 0.00 46.02 45.75 1low n GLY 30 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1low s GLU 31 N -4.82 2.14 0.19 1.61 2.02 -0.71 -5.04 118.70 114.08 1low s GLU 31 Ca 0.00 -1.14 0.03 0.00 0.02 0.00 0.00 54.97 53.89 1low s GLU 31 Cb 0.00 -2.25 -0.05 0.00 0.10 0.00 0.00 34.13 31.93 1low s GLU 31 CO 0.00 0.47 -0.04 0.95 0.02 0.00 0.00 175.26 176.66 1low s THR 32 N -1.49 0.98 0.02 3.63 -4.23 -1.26 -4.42 115.64 108.87 1low s THR 32 Ca 0.24 -2.03 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1low s THR 32 Cb -0.10 -2.11 -0.01 0.00 1.34 0.00 0.00 72.50 71.62 1low s THR 32 CO 0.15 -0.51 0.04 0.54 -0.54 0.00 0.00 174.62 174.30 1low s VAL 33 N -3.46 0.11 0.00 2.29 0.11 -0.17 -4.89 120.40 114.39 1low s VAL 33 Ca 0.23 -0.91 0.00 0.00 -2.93 0.00 0.00 61.98 58.37 1low s VAL 33 Cb 0.05 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1low s VAL 33 CO 0.04 -0.50 0.00 0.61 -3.33 0.00 0.00 175.10 171.92 1low n GLY 34 N 1.35 -0.87 0.26 6.54 0.00 -1.26 -1.49 105.19 109.72 1low n GLY 34 Ca -0.22 -1.61 0.10 0.00 0.00 0.00 0.00 46.02 44.29 1low n GLY 34 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1low h SER 35 N 0.00 0.00 -0.45 1.61 0.02 -1.99 -1.54 113.55 111.20 1low h SER 35 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1low h SER 35 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 1low h SER 35 CO 0.00 0.07 0.00 0.59 -1.14 0.00 0.00 176.83 176.35 1low n ASN 36 N -4.12 2.48 -3.51 3.07 3.02 -1.26 -4.98 115.26 109.95 1low n ASN 36 Ca -0.03 -1.99 -0.18 0.00 -0.03 0.00 0.00 54.58 52.35 1low n ASN 36 Cb 0.15 -0.30 0.01 0.00 -0.61 0.00 0.00 39.78 39.03 1low n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1low n SER 37 N 0.85 -6.03 -4.86 6.41 7.64 -0.58 -4.81 113.62 112.25 1low n SER 37 Ca 0.16 -0.67 -0.33 0.00 1.01 0.00 0.00 58.87 59.03 1low n SER 37 Cb 0.39 -3.45 -0.06 0.00 -1.01 0.00 0.00 64.21 60.09 1low n SER 37 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1low s TYR 38 N -3.14 3.47 0.22 1.43 2.02 -0.56 -3.63 117.35 117.16 1low s TYR 38 Ca 0.15 0.97 -0.30 0.00 -0.37 0.00 0.00 57.07 57.51 1low s TYR 38 Cb -0.05 -2.32 -0.09 0.00 -0.40 0.00 0.00 41.96 39.09 1low s TYR 38 CO 0.83 0.29 1.30 -1.25 -1.57 0.00 0.00 175.55 175.15 1low s PRO 39 N -2.61 4.40 0.14 -1.71 0.04 -1.26 -1.00 135.00 132.99 1low s PRO 39 Ca 0.46 2.06 0.08 0.00 0.04 0.00 0.00 61.00 63.64 1low s PRO 39 Cb -0.12 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.20 1low s PRO 39 CO 0.20 -0.22 -0.11 0.00 0.04 0.00 0.00 177.00 176.91 1low s ALA 40 N -0.09 2.91 0.15 8.56 0.00 -0.72 -4.89 121.76 127.68 1low s ALA 40 Ca 0.55 -1.35 -0.32 0.00 0.00 0.00 0.00 51.96 50.84 1low s ALA 40 Cb -0.37 -0.79 -0.11 0.00 0.00 0.00 0.00 23.12 21.85 1low s ALA 40 CO 0.40 0.56 1.80 1.17 0.00 0.00 0.00 175.76 179.69 1low n LYS 41 N 0.44 2.76 -3.67 0.00 3.00 -1.26 0.02 118.16 119.45 1low n LYS 41 Ca -0.13 1.00 -0.39 0.00 -0.00 0.00 0.00 58.31 58.80 1low n LYS 41 Cb 0.54 -2.88 -0.12 0.00 0.00 0.00 0.00 35.03 32.57 1low n LYS 41 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.40 176.93 1low s TYR 42 N 2.22 3.18 -1.03 5.64 5.04 0.22 -4.77 117.35 127.85 1low s TYR 42 Ca 0.80 -0.70 0.29 0.00 -2.44 0.00 0.00 57.07 55.02 1low s TYR 42 Cb -0.50 -2.35 1.25 0.00 0.35 0.00 0.00 41.96 40.71 1low s TYR 42 CO 0.36 -0.50 1.93 0.09 -1.34 0.00 0.00 175.55 176.09 1low n ASN 43 N 4.96 0.01 -3.60 4.32 3.02 -1.26 -4.15 115.26 118.56 1low n ASN 43 Ca -0.14 0.45 -0.25 0.00 -0.03 0.00 0.00 54.58 54.62 1low n ASN 43 Cb 0.48 -0.48 0.04 0.00 -0.61 0.00 0.00 39.78 39.22 1low n ASN 43 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1low n ASN 44 N -1.49 -4.19 0.13 6.41 5.15 -1.26 -4.88 115.26 115.14 1low n ASN 44 Ca 0.07 -0.89 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1low n ASN 44 Cb 0.33 -3.98 0.30 0.00 -0.53 0.00 0.00 39.78 35.90 1low n ASN 44 CO 0.00 0.00 0.00 1.88 1.40 0.00 0.00 177.26 180.54 1low h TYR 45 N -1.70 0.18 0.00 1.20 0.05 -2.00 -2.52 116.97 112.17 1low h TYR 45 Ca -0.64 -0.04 -0.01 0.00 0.05 0.00 0.00 58.73 58.09 1low h TYR 45 Cb 1.35 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 39.04 1low h TYR 45 CO 0.37 0.49 -0.05 0.93 -1.05 0.00 0.00 178.16 178.85 1low h GLU 46 N 0.14 0.00 -1.83 4.88 3.07 -1.94 -3.46 114.58 115.44 1low h GLU 46 Ca 0.02 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 1low h GLU 46 Cb 0.68 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 28.62 1low h GLU 46 CO 0.05 0.05 -0.11 0.41 -1.40 0.00 0.00 179.01 178.00 1low n GLY 47 N -1.34 0.70 3.76 -3.84 0.00 -0.95 -5.00 105.19 98.52 1low n GLY 47 Ca -0.03 -0.52 -0.37 0.00 0.00 0.00 0.00 46.02 45.10 1low n GLY 47 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1low s PHE 48 N -3.05 2.63 -1.20 1.61 0.08 -1.26 -4.93 117.98 111.86 1low s PHE 48 Ca 0.10 1.50 -0.11 0.00 0.12 0.00 0.00 56.93 58.54 1low s PHE 48 Cb -0.04 -3.47 0.20 0.00 -0.57 0.00 0.00 43.02 39.14 1low s PHE 48 CO 0.12 -1.93 1.49 -3.47 -0.10 0.00 0.00 175.22 171.33 1low n ASP 49 N -0.93 5.36 -4.78 1.36 2.03 -1.26 -5.00 116.55 113.32 1low n ASP 49 Ca 0.10 -3.06 -0.36 0.00 0.52 0.00 0.00 54.79 51.98 1low n ASP 49 Cb 0.48 -1.49 -0.06 0.00 -0.72 0.00 0.00 41.12 39.34 1low n ASP 49 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1low s PHE 50 N 0.37 3.49 -1.27 -0.67 0.08 -1.26 -4.97 117.98 113.74 1low s PHE 50 Ca 0.39 1.71 0.26 0.00 0.12 0.00 0.00 56.93 59.41 1low s PHE 50 Cb -0.01 -3.00 0.76 0.00 -0.57 0.00 0.00 43.02 40.20 1low s PHE 50 CO -0.00 -0.16 1.58 -1.13 -0.10 0.00 0.00 175.22 175.40 1low n SER 51 N 0.21 0.56 -4.75 1.36 3.41 -1.26 -4.85 113.62 108.29 1low n SER 51 Ca 0.04 -0.36 -0.26 0.00 -0.26 0.00 0.00 58.87 58.03 1low n SER 51 Cb 0.50 0.08 -0.06 0.00 -0.26 0.00 0.00 64.21 64.47 1low n SER 51 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1low s VAL 52 N -2.80 4.18 0.50 -3.33 -7.23 -1.26 -5.11 120.40 105.34 1low s VAL 52 Ca 0.17 -1.25 -0.12 0.00 -1.81 0.00 0.00 61.98 58.98 1low s VAL 52 Cb 0.18 -3.13 -0.06 0.00 0.56 0.00 0.00 36.38 33.93 1low s VAL 52 CO 0.60 -0.13 0.90 -0.94 -0.31 0.00 0.00 175.10 175.23 1low s SER 53 N -3.11 6.45 0.88 4.85 1.04 -1.26 -5.04 113.70 117.51 1low s SER 53 Ca 0.30 1.31 -0.13 0.00 0.48 0.00 0.00 55.95 57.91 1low s SER 53 Cb -0.10 -2.41 0.15 0.00 0.10 0.00 0.00 66.02 63.77 1low s SER 53 CO 0.22 -0.60 1.23 -0.94 0.98 0.00 0.00 173.24 174.13 1low s SER 54 N -3.51 3.70 0.69 7.02 1.04 -1.26 -4.73 113.70 116.65 1low s SER 54 Ca 0.54 0.34 -0.16 0.00 0.48 0.00 0.00 55.95 57.14 1low s SER 54 Cb -0.10 -0.57 0.02 0.00 0.10 0.00 0.00 66.02 65.47 1low s SER 54 CO 0.39 -2.36 1.22 -2.84 0.98 0.00 0.00 173.24 170.63 1low s PRO 55 N -5.69 2.36 0.16 4.02 0.02 -1.26 -4.89 135.00 129.72 1low s PRO 55 Ca 0.69 1.82 0.09 0.00 0.02 0.00 0.00 61.00 63.63 1low s PRO 55 Cb -0.06 -1.85 -0.04 0.00 0.02 0.00 0.00 34.50 32.56 1low s PRO 55 CO 0.50 -1.68 -0.12 0.71 -0.33 0.00 0.00 177.00 176.08 1low s TYR 56 N -1.81 2.61 0.01 6.54 2.02 -1.26 -3.51 117.35 121.95 1low s TYR 56 Ca 0.76 -0.23 0.03 0.00 -0.37 0.00 0.00 57.07 57.26 1low s TYR 56 Cb -0.31 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 39.93 1low s TYR 56 CO 0.42 0.47 -0.09 0.71 -1.57 0.00 0.00 175.55 175.49 1low s TYR 57 N -1.50 0.83 -0.05 2.71 2.02 0.03 -0.61 117.35 120.78 1low s TYR 57 Ca 0.23 -0.21 -0.00 0.00 -0.37 0.00 0.00 57.07 56.71 1low s TYR 57 Cb -0.09 -0.52 -0.03 0.00 -0.40 0.00 0.00 41.96 40.91 1low s TYR 57 CO 0.14 -0.01 -0.00 -1.83 -1.57 0.00 0.00 175.55 172.27 1low s GLU 58 N -0.49 2.87 -0.03 -0.62 -1.05 0.10 -1.57 118.70 117.92 1low s GLU 58 Ca 0.02 -0.51 -0.01 0.00 -0.15 0.00 0.00 54.97 54.31 1low s GLU 58 Cb -0.05 -2.72 0.02 0.00 -0.44 0.00 0.00 34.13 30.95 1low s GLU 58 CO -0.00 0.66 0.06 -0.46 0.95 0.00 0.00 175.26 176.48 1low s TRP 59 N -0.97 -0.04 0.33 4.83 -0.11 -0.43 -1.75 118.94 120.81 1low s TRP 59 Ca 0.16 0.21 -0.29 0.00 1.22 0.00 0.00 56.10 57.40 1low s TRP 59 Cb -0.11 -0.13 -0.11 0.00 -1.50 0.00 0.00 33.47 31.62 1low s TRP 59 CO 0.06 -0.09 1.45 -2.14 -4.62 0.00 0.00 176.95 171.61 1low s PRO 60 N 0.78 4.19 -0.12 5.86 0.02 -1.26 -0.35 135.00 144.12 1low s PRO 60 Ca -0.06 2.45 0.03 0.00 0.02 0.00 0.00 61.00 63.43 1low s PRO 60 Cb -0.09 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.41 1low s PRO 60 CO -0.03 -0.45 -0.21 -1.50 -0.33 0.00 0.00 177.00 174.48 1low s ILE 61 N -0.79 2.19 -0.16 2.83 2.07 -0.94 -4.56 121.20 121.85 1low s ILE 61 Ca 0.54 -0.95 -0.08 0.00 -1.41 0.00 0.00 60.65 58.75 1low s ILE 61 Cb -0.44 -1.87 -0.04 0.00 0.13 0.00 0.00 42.46 40.23 1low s ILE 61 CO 0.55 0.55 0.13 -0.76 -1.91 0.00 0.00 174.94 173.50 1low s LEU 62 N 0.59 4.29 0.65 8.50 1.43 -1.26 -4.42 118.68 128.46 1low s LEU 62 Ca -0.12 0.35 0.43 0.00 -1.03 0.00 0.00 54.13 53.76 1low s LEU 62 Cb -0.17 -2.07 2.27 0.00 0.03 0.00 0.00 46.19 46.25 1low s LEU 62 CO 0.03 0.30 2.32 0.77 0.23 0.00 0.00 176.35 180.00 1low h SER 63 N 5.77 0.00 0.59 2.29 4.64 -1.96 -1.47 113.55 123.41 1low h SER 63 Ca -0.48 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 60.74 1low h SER 63 Cb 1.19 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1low h SER 63 CO 0.66 0.00 -0.45 0.77 -0.87 0.00 0.00 176.83 176.94 1low h SER 64 N 0.00 0.00 0.00 4.97 4.64 -1.99 -3.47 113.55 117.70 1low h SER 64 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1low h SER 64 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1low h SER 64 CO 0.00 0.45 0.00 0.61 -0.87 0.00 0.00 176.83 177.02 1low n GLY 65 N -0.02 2.03 3.84 -0.77 0.00 -0.55 -5.07 105.19 104.64 1low n GLY 65 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1low n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1low s ASP 66 N -1.57 6.59 0.21 1.61 1.01 -1.26 -4.99 116.67 118.27 1low s ASP 66 Ca 0.00 1.59 -0.28 0.00 0.71 0.00 0.00 52.55 54.57 1low s ASP 66 Cb 0.00 -2.51 -0.09 0.00 1.01 0.00 0.00 42.92 41.33 1low s ASP 66 CO 0.00 -0.61 0.87 -0.69 0.21 0.00 0.00 175.17 174.94 1low s VAL 67 N -2.60 4.22 0.24 -1.27 1.01 -1.26 -4.29 120.40 116.45 1low s VAL 67 Ca 0.59 1.89 -0.31 0.00 0.00 0.00 0.00 61.98 64.15 1low s VAL 67 Cb -0.10 -4.22 -0.12 0.00 0.00 0.00 0.00 36.38 31.94 1low s VAL 67 CO 0.31 0.48 1.66 0.00 0.00 0.00 0.00 175.10 177.55 1low n TYR 68 N 1.45 2.75 -2.09 5.22 9.36 -1.26 -4.90 117.16 127.69 1low n TYR 68 Ca -0.03 0.15 0.02 0.00 3.32 0.00 0.00 57.90 61.36 1low n TYR 68 Cb 0.48 -2.63 0.02 0.00 -0.63 0.00 0.00 39.34 36.58 1low n TYR 68 CO 0.00 0.00 0.00 -1.13 0.22 0.00 0.00 176.86 175.95 1low n SER 69 N 3.16 0.47 0.00 2.98 3.41 -1.26 -5.05 113.62 117.34 1low n SER 69 Ca 0.13 -2.11 0.00 0.00 -0.26 0.00 0.00 58.87 56.63 1low n SER 69 Cb 0.35 -0.25 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 1low n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1low n GLY 70 N 0.04 -0.55 6.94 5.00 0.00 -1.26 -4.83 105.19 110.53 1low n GLY 70 Ca 0.03 -2.27 0.00 0.00 0.00 0.00 0.00 46.02 43.78 1low n GLY 70 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1low n GLY 71 N -0.69 -1.86 3.69 -0.02 0.00 -1.26 -4.81 105.19 100.25 1low n GLY 71 Ca 0.00 -1.39 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 1low n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1low s SER 72 N -4.00 6.65 0.05 1.61 0.15 -1.26 -4.79 113.70 112.11 1low s SER 72 Ca 0.00 2.42 0.25 0.00 0.70 0.00 0.00 55.95 59.32 1low s SER 72 Cb 0.00 -2.56 1.01 0.00 -1.71 0.00 0.00 66.02 62.76 1low s SER 72 CO 0.00 -0.86 1.78 -0.81 1.20 0.00 0.00 173.24 174.56 1low n PRO 73 N 5.55 0.05 0.00 5.44 -0.04 -1.26 -5.03 135.00 139.71 1low n PRO 73 Ca 0.15 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.73 1low n PRO 73 Cb 0.41 -1.57 0.00 0.00 -0.04 0.00 0.00 33.50 32.30 1low n PRO 73 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1low n GLY 74 N 1.02 -0.79 0.20 0.55 0.00 -1.26 -4.38 105.19 100.54 1low n GLY 74 Ca 0.06 -1.13 0.08 0.00 0.00 0.00 0.00 46.02 45.03 1low n GLY 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1low n ALA 75 N 1.26 3.73 -2.88 4.61 0.00 -1.26 -5.00 120.51 120.97 1low n ALA 75 Ca 0.00 -0.52 -0.32 0.00 0.00 0.00 0.00 53.44 52.60 1low n ALA 75 Cb 0.00 -0.62 -0.05 0.00 0.00 0.00 0.00 19.45 18.78 1low n ALA 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1low s ASP 76 N -2.31 6.21 0.01 0.00 1.01 -1.26 -1.20 116.67 119.11 1low s ASP 76 Ca 0.10 0.27 -0.01 0.00 0.71 0.00 0.00 52.55 53.62 1low s ASP 76 Cb 0.13 -1.90 -0.01 0.00 1.01 0.00 0.00 42.92 42.16 1low s ASP 76 CO 0.57 0.23 0.02 -0.13 0.21 0.00 0.00 175.17 176.07 1low s ARG 77 N -2.09 0.24 -0.12 8.23 1.81 0.08 -2.22 118.95 124.88 1low s ARG 77 Ca 0.29 -0.35 -0.04 0.00 -1.72 0.00 0.00 55.73 53.91 1low s ARG 77 Cb -0.13 0.09 -0.03 0.00 -0.45 0.00 0.00 34.95 34.43 1low s ARG 77 CO 0.21 -0.04 0.01 0.14 -0.68 0.00 0.00 175.30 174.94 1low s VAL 78 N -0.94 4.41 -0.16 3.52 -7.23 0.53 -1.07 120.40 119.45 1low s VAL 78 Ca -0.10 -0.20 -0.02 0.00 -1.81 0.00 0.00 61.98 59.85 1low s VAL 78 Cb -0.06 -2.90 -0.01 0.00 0.56 0.00 0.00 36.38 33.97 1low s VAL 78 CO -0.00 0.56 -0.10 -0.69 -0.31 0.00 0.00 175.10 174.56 1low s VAL 79 N -0.43 3.17 0.19 1.32 1.01 0.31 -1.31 120.40 124.66 1low s VAL 79 Ca 0.08 -0.60 0.02 0.00 0.00 0.00 0.00 61.98 61.49 1low s VAL 79 Cb -0.12 -2.38 -0.05 0.00 0.00 0.00 0.00 36.38 33.84 1low s VAL 79 CO 0.02 0.49 0.00 0.72 0.00 0.00 0.00 175.10 176.33 1low s PHE 80 N 0.77 1.32 0.25 5.22 -0.12 -0.61 -0.06 117.98 124.76 1low s PHE 80 Ca -0.04 -0.99 0.03 0.00 -0.05 0.00 0.00 56.93 55.88 1low s PHE 80 Cb -0.15 -0.76 0.03 0.00 -0.63 0.00 0.00 43.02 41.51 1low s PHE 80 CO 0.01 -0.16 0.24 0.27 -0.05 0.00 0.00 175.22 175.54 1low n ASN 81 N -0.30 1.54 0.26 1.98 0.23 -0.37 -0.79 115.26 117.82 1low n ASN 81 Ca -0.06 -1.81 0.11 0.00 -0.53 0.00 0.00 54.58 52.28 1low n ASN 81 Cb 0.63 -0.07 0.71 0.00 -2.08 0.00 0.00 39.78 38.97 1low n ASN 81 CO 0.00 0.00 0.00 -0.08 -0.93 0.00 0.00 177.26 176.25 1low h GLU 82 N 0.00 0.00 -0.57 -3.83 4.57 -1.84 -0.46 114.58 112.44 1low h GLU 82 Ca -0.15 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.03 1low h GLU 82 Cb 0.58 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.17 1low h GLU 82 CO 0.23 0.08 0.00 0.09 -1.18 0.00 0.00 179.01 178.23 1low n ASN 83 N -4.05 2.27 -3.38 1.04 5.03 -1.26 -4.87 115.26 110.03 1low n ASN 83 Ca -0.03 -2.19 -0.25 0.00 0.87 0.00 0.00 54.58 52.99 1low n ASN 83 Cb 0.17 -0.39 0.03 0.00 -1.02 0.00 0.00 39.78 38.56 1low n ASN 83 CO 0.00 0.00 0.00 -3.20 -1.83 0.00 0.00 177.26 172.23 1low n ASN 84 N 0.31 -5.38 -4.79 6.41 4.05 -0.18 -4.97 115.26 110.71 1low n ASN 84 Ca 0.11 -0.45 -0.36 0.00 0.45 0.00 0.00 54.58 54.32 1low n ASN 84 Cb 0.45 -4.33 -0.07 0.00 1.23 0.00 0.00 39.78 37.05 1low n ASN 84 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1low s GLN 85 N -6.07 3.62 0.11 1.20 -0.21 -1.26 -4.86 119.66 112.19 1low s GLN 85 Ca 0.45 -0.21 -0.31 0.00 0.02 0.00 0.00 55.36 55.31 1low s GLN 85 Cb -0.21 -3.19 -0.07 0.00 1.00 0.00 0.00 33.01 30.53 1low s GLN 85 CO 0.56 0.60 1.31 -1.17 -2.12 0.00 0.00 175.29 174.46 1low s LEU 86 N -0.52 4.38 -0.27 2.90 2.96 -1.26 -1.23 118.68 125.64 1low s LEU 86 Ca 0.12 2.23 -0.04 0.00 -0.22 0.00 0.00 54.13 56.21 1low s LEU 86 Cb -0.12 -3.59 -0.15 0.00 0.50 0.00 0.00 46.19 42.83 1low s LEU 86 CO 0.02 -0.56 -0.28 0.00 -1.32 0.00 0.00 176.35 174.21 1low n ALA 87 N 3.70 1.34 0.00 5.97 0.00 0.91 -4.80 120.51 127.63 1low n ALA 87 Ca 0.10 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.43 1low n ALA 87 Cb 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.88 1low n ALA 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1low n GLY 88 N 1.87 -0.04 3.17 0.00 0.00 -1.10 -4.68 105.19 104.42 1low n GLY 88 Ca -0.49 -1.00 -0.33 0.00 0.00 0.00 0.00 46.02 44.20 1low n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1low s VAL 89 N -2.00 2.16 0.32 1.61 1.01 -1.26 -0.53 120.40 121.71 1low s VAL 89 Ca 0.00 -0.93 0.05 0.00 0.00 0.00 0.00 61.98 61.09 1low s VAL 89 Cb 0.00 -1.88 -0.06 0.00 0.00 0.00 0.00 36.38 34.43 1low s VAL 89 CO 0.00 0.54 0.03 0.27 0.00 0.00 0.00 175.10 175.94 1low s ILE 90 N 0.94 1.35 0.00 2.22 -4.36 -0.23 -1.38 121.20 119.74 1low s ILE 90 Ca -0.04 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.14 1low s ILE 90 Cb -0.15 -2.72 0.04 0.00 1.25 0.00 0.00 42.46 40.88 1low s ILE 90 CO -0.04 -0.08 0.42 0.28 0.24 0.00 0.00 174.94 175.76 1low s THR 91 N -3.19 0.05 -0.37 8.37 -1.32 0.06 -0.74 115.64 118.49 1low s THR 91 Ca 0.35 -0.39 0.22 0.00 -1.21 0.00 0.00 61.69 60.66 1low s THR 91 Cb 0.08 -0.83 0.25 0.00 -1.51 0.00 0.00 72.50 70.49 1low s THR 91 CO 0.15 -0.21 1.50 0.45 -2.21 0.00 0.00 174.62 174.29 1low h HIS 92 N 3.34 0.00 -2.62 9.09 3.86 -1.36 -0.68 115.15 126.78 1low h HIS 92 Ca -0.30 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.38 1low h HIS 92 Cb 1.18 0.00 0.02 0.00 1.06 0.00 0.00 27.41 29.68 1low h HIS 92 CO 0.45 0.07 1.05 0.99 0.86 0.00 0.00 177.93 181.35 1low s THR 93 N -3.20 2.91 0.00 2.45 2.01 -1.26 -1.66 115.64 116.89 1low s THR 93 Ca 0.05 0.34 0.00 0.00 0.31 0.00 0.00 61.69 62.39 1low s THR 93 Cb 0.06 -3.22 0.00 0.00 0.01 0.00 0.00 72.50 69.35 1low s THR 93 CO 0.70 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.23 1low n GLY 94 N 4.11 0.58 3.48 4.40 0.00 -1.26 -4.75 105.19 111.74 1low n GLY 94 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1low n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1low s ALA 95 N -2.16 2.65 0.32 4.61 0.00 -0.67 -4.95 121.76 121.56 1low s ALA 95 Ca 0.00 -1.19 -0.29 0.00 0.00 0.00 0.00 51.96 50.49 1low s ALA 95 Cb 0.00 -0.78 -0.10 0.00 0.00 0.00 0.00 23.12 22.24 1low s ALA 95 CO 0.00 0.58 1.25 0.45 0.00 0.00 0.00 175.76 178.04 1low s SER 96 N -1.50 6.89 1.11 0.00 0.15 -1.26 -4.72 113.70 114.38 1low s SER 96 Ca 0.15 2.58 0.00 0.00 0.70 0.00 0.00 55.95 59.38 1low s SER 96 Cb -0.11 -2.64 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 1low s SER 96 CO 0.06 -0.44 0.00 0.61 1.20 0.00 0.00 173.24 174.67 1low n GLY 97 N 0.89 3.18 2.02 9.45 0.00 -1.26 -1.20 105.19 118.27 1low n GLY 97 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 46.02 45.97 1low n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1low n ASN 98 N 3.55 5.11 -4.64 1.61 5.03 -1.26 -4.97 115.26 119.70 1low n ASN 98 Ca 0.00 -3.16 -0.27 0.00 0.87 0.00 0.00 54.58 52.02 1low n ASN 98 Cb 0.00 -0.74 0.11 0.00 -1.02 0.00 0.00 39.78 38.13 1low n ASN 98 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 1low s ASN 99 N -0.95 4.19 0.17 6.41 0.01 -0.34 -5.05 114.94 119.38 1low s ASN 99 Ca 0.56 0.24 0.09 0.00 -0.71 0.00 0.00 52.86 53.04 1low s ASN 99 Cb 0.44 -0.64 -0.04 0.00 0.41 0.00 0.00 41.25 41.41 1low s ASN 99 CO 0.14 -2.01 -0.18 -0.36 -1.51 0.00 0.00 177.10 173.18 1low s PHE 100 N -3.44 1.86 0.09 2.20 0.08 -1.26 -4.38 117.98 113.14 1low s PHE 100 Ca 0.66 -0.46 0.04 0.00 0.12 0.00 0.00 56.93 57.28 1low s PHE 100 Cb -0.08 -0.92 -0.03 0.00 -0.57 0.00 0.00 43.02 41.42 1low s PHE 100 CO 0.47 0.36 -0.11 0.14 -0.10 0.00 0.00 175.22 175.98 1low s VAL 101 N -2.11 0.99 0.47 -0.44 -7.23 -0.26 -4.93 120.40 106.89 1low s VAL 101 Ca 0.17 -1.58 -0.20 0.00 -1.81 0.00 0.00 61.98 58.56 1low s VAL 101 Cb -0.05 -1.31 -0.09 0.00 0.56 0.00 0.00 36.38 35.49 1low s VAL 101 CO 0.07 -0.49 1.01 -1.61 -0.31 0.00 0.00 175.10 173.77 1low s GLU 102 N -2.59 3.93 0.26 4.82 2.02 -1.26 -0.76 118.70 125.12 1low s GLU 102 Ca 0.04 1.25 -0.23 0.00 0.02 0.00 0.00 54.97 56.05 1low s GLU 102 Cb -0.04 -2.12 -0.09 0.00 0.10 0.00 0.00 34.13 31.98 1low s GLU 102 CO 0.01 -0.31 0.83 0.00 0.02 0.00 0.00 175.26 175.81