#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2b1y h ASN 5 N 0.00 0.01 -4.97 2.55 2.35 -1.62 -3.45 115.58 110.45 2b1y h ASN 5 Ca 0.00 -0.00 0.11 0.00 -0.55 0.00 0.00 56.30 55.85 2b1y h ASN 5 Cb 0.00 -0.00 -0.11 0.00 0.05 0.00 0.00 38.32 38.26 2b1y h ASN 5 CO 0.00 0.10 0.41 0.72 -1.65 0.00 0.00 177.43 177.01 2b1y s PHE 6 N -4.87 -0.29 0.39 1.19 -0.71 -1.26 -5.17 117.98 107.27 2b1y s PHE 6 Ca -0.05 0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 55.79 2b1y s PHE 6 Cb 0.16 0.59 -0.06 0.00 -1.21 0.00 0.00 43.02 42.51 2b1y s PHE 6 CO 0.69 -0.77 0.75 1.03 -1.34 0.00 0.00 175.22 175.58 2b1y s ARG 7 N -3.37 3.77 0.20 1.99 0.52 -1.26 -5.08 118.95 115.71 2b1y s ARG 7 Ca 0.07 0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 55.53 2b1y s ARG 7 Cb -0.02 -2.41 0.03 0.00 0.52 0.00 0.00 34.95 33.08 2b1y s ARG 7 CO -0.04 -0.01 0.56 1.52 0.02 0.00 0.00 175.30 177.34 2b1y s TYR 8 N -2.34 -0.21 -0.07 -0.53 1.13 -1.26 -5.14 117.35 108.94 2b1y s TYR 8 Ca 0.51 -0.12 0.04 0.00 -1.41 0.00 0.00 57.07 56.08 2b1y s TYR 8 Cb -0.10 0.46 -0.00 0.00 -1.10 0.00 0.00 41.96 41.22 2b1y s TYR 8 CO 0.31 -0.94 -0.19 0.99 -2.51 0.00 0.00 175.55 173.21 2b1y s THR 9 N -3.85 1.65 -0.23 -3.49 2.01 -1.26 -5.12 115.64 105.34 2b1y s THR 9 Ca 0.08 -0.81 -0.01 0.00 0.31 0.00 0.00 61.69 61.26 2b1y s THR 9 Cb -0.02 -1.43 0.02 0.00 0.01 0.00 0.00 72.50 71.09 2b1y s THR 9 CO -0.04 0.47 -0.10 -2.28 -0.69 0.00 0.00 174.62 171.98 2b1y s HIS 10 N 0.21 2.99 -0.32 4.92 5.04 -1.26 -5.08 115.29 121.78 2b1y s HIS 10 Ca -0.10 -1.53 -0.13 0.00 -1.54 0.00 0.00 55.06 51.76 2b1y s HIS 10 Cb -0.15 -2.02 -0.03 0.00 0.04 0.00 0.00 32.58 30.43 2b1y s HIS 10 CO 0.05 -0.73 0.26 0.71 -2.34 0.00 0.00 174.74 172.69 2b1y s TYR 11 N 1.33 3.22 -0.61 3.88 2.02 -1.26 -5.05 117.35 120.88 2b1y s TYR 11 Ca 0.02 -0.05 -0.26 0.00 -0.37 0.00 0.00 57.07 56.41 2b1y s TYR 11 Cb -0.16 -2.50 0.04 0.00 -0.40 0.00 0.00 41.96 38.94 2b1y s TYR 11 CO -0.07 -0.32 1.07 0.34 -1.57 0.00 0.00 175.55 175.01 2b1y s ASP 12 N 1.73 6.32 0.00 2.29 -1.08 -1.26 -4.89 116.67 119.77 2b1y s ASP 12 Ca 0.08 -0.33 0.29 0.00 -0.52 0.00 0.00 52.55 52.07 2b1y s ASP 12 Cb -0.17 -2.49 1.23 0.00 -1.46 0.00 0.00 42.92 40.03 2b1y s ASP 12 CO 0.11 -1.43 1.85 0.18 0.52 0.00 0.00 175.17 176.39 2b1y n LEU 13 N 8.10 0.90 0.00 -1.34 4.77 -1.26 -5.04 117.00 123.13 2b1y n LEU 13 Ca 0.03 -0.25 0.00 0.00 -0.03 0.00 0.00 56.01 55.76 2b1y n LEU 13 Cb 0.48 -0.06 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2b1y n LEU 13 CO 0.67 0.15 0.00 0.29 -1.33 0.00 0.00 177.39 177.18 2b1y n LYS 14 N -0.43 0.00 -2.58 3.23 4.76 -1.26 -4.63 118.16 117.25 2b1y n LYS 14 Ca 0.18 0.00 -0.43 0.00 -2.87 0.00 0.00 58.31 55.19 2b1y n LYS 14 Cb 0.29 0.00 -0.02 0.00 -1.84 0.00 0.00 35.03 33.45 2b1y n LYS 14 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 2b1y s GLU 15 N 0.00 4.34 -0.01 1.97 0.41 -1.26 -5.03 118.70 119.12 2b1y s GLU 15 Ca 0.00 1.51 0.05 0.00 -0.41 0.00 0.00 54.97 56.12 2b1y s GLU 15 Cb 0.00 -3.60 -0.01 0.00 -1.78 0.00 0.00 34.13 28.74 2b1y s GLU 15 CO 0.00 -0.47 -0.17 -0.51 -0.49 0.00 0.00 175.26 173.61 2b1y s LEU 16 N 2.51 2.03 0.46 1.80 1.43 -1.26 -5.13 118.68 120.52 2b1y s LEU 16 Ca 0.51 -0.32 -0.22 0.00 -1.03 0.00 0.00 54.13 53.07 2b1y s LEU 16 Cb -0.20 -0.90 -0.08 0.00 0.03 0.00 0.00 46.19 45.04 2b1y s LEU 16 CO 0.16 0.21 1.11 -0.60 0.23 0.00 0.00 176.35 177.47 2b1y s ARG 17 N -0.42 3.79 0.22 1.70 6.06 -1.26 -4.97 118.95 124.07 2b1y s ARG 17 Ca 0.07 1.62 -0.31 0.00 -2.50 0.00 0.00 55.73 54.61 2b1y s ARG 17 Cb -0.07 -2.32 -0.15 0.00 0.06 0.00 0.00 34.95 32.47 2b1y s ARG 17 CO -0.01 -0.49 1.09 0.00 -2.50 0.00 0.00 175.30 173.39 2b1y n ALA 18 N -0.60 -0.57 0.00 6.12 0.00 -1.26 -2.05 120.51 122.15 2b1y n ALA 18 Ca 0.08 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.95 2b1y n ALA 18 Cb 0.50 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.93 2b1y n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2b1y n GLY 19 N 1.71 2.64 3.63 0.00 0.00 -1.26 -5.04 105.19 106.87 2b1y n GLY 19 Ca 0.13 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.69 2b1y n GLY 19 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2b1y n THR 20 N -2.00 1.17 -4.25 2.61 -1.04 -0.87 -4.95 114.28 104.95 2b1y n THR 20 Ca 0.00 -0.29 -0.34 0.00 -2.04 0.00 0.00 64.05 61.38 2b1y n THR 20 Cb 0.00 -1.20 -0.14 0.00 -1.82 0.00 0.00 70.33 67.17 2b1y n THR 20 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 2b1y s THR 21 N -0.33 3.30 -0.22 12.58 2.01 -1.26 -5.05 115.64 126.66 2b1y s THR 21 Ca 0.67 -0.54 -0.14 0.00 0.31 0.00 0.00 61.69 61.99 2b1y s THR 21 Cb -0.72 -2.46 -0.04 0.00 0.01 0.00 0.00 72.50 69.30 2b1y s THR 21 CO 0.53 0.47 0.34 -0.76 -0.69 0.00 0.00 174.62 174.51 2b1y s LEU 22 N 0.97 4.12 -0.38 4.42 1.43 -1.26 -5.05 118.68 122.93 2b1y s LEU 22 Ca -0.01 0.38 -0.14 0.00 -1.03 0.00 0.00 54.13 53.32 2b1y s LEU 22 Cb -0.15 -2.40 0.00 0.00 0.03 0.00 0.00 46.19 43.68 2b1y s LEU 22 CO -0.00 -0.07 0.30 -0.70 0.23 0.00 0.00 176.35 176.11 2b1y s GLU 23 N 1.40 3.22 -0.16 1.70 2.12 -1.26 -5.07 118.70 120.65 2b1y s GLU 23 Ca 0.16 -0.81 -0.00 0.00 0.36 0.00 0.00 54.97 54.67 2b1y s GLU 23 Cb -0.15 -3.90 -0.00 0.00 0.26 0.00 0.00 34.13 30.34 2b1y s GLU 23 CO 0.08 -0.63 -0.14 0.42 -0.54 0.00 0.00 175.26 174.44 2b1y s ILE 24 N 1.76 2.73 0.00 -3.70 1.01 -1.26 -5.10 121.20 116.64 2b1y s ILE 24 Ca 0.07 -0.74 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2b1y s ILE 24 Cb -0.18 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.09 2b1y s ILE 24 CO 0.11 0.51 0.05 -0.44 0.00 0.00 0.00 174.94 175.17 2b1y s SER 25 N 0.88 5.48 0.01 3.58 0.01 -1.26 -5.12 113.70 117.27 2b1y s SER 25 Ca -0.04 0.08 -0.04 0.00 1.31 0.00 0.00 55.95 57.26 2b1y s SER 25 Cb -0.15 -1.52 -0.01 0.00 0.21 0.00 0.00 66.02 64.55 2b1y s SER 25 CO -0.01 0.27 0.07 -0.76 0.41 0.00 0.00 173.24 173.22 2b1y s LEU 26 N -1.72 1.83 0.14 2.44 1.43 -1.26 -5.06 118.68 116.48 2b1y s LEU 26 Ca 0.22 -0.30 0.15 0.00 -1.03 0.00 0.00 54.13 53.17 2b1y s LEU 26 Cb -0.12 0.43 -0.08 0.00 0.03 0.00 0.00 46.19 46.45 2b1y s LEU 26 CO 0.13 -0.32 1.08 0.77 0.23 0.00 0.00 176.35 178.24 2b1y h SER 27 N 4.53 0.00 -5.22 2.29 4.64 -2.03 -3.48 113.55 114.27 2b1y h SER 27 Ca -0.31 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.95 2b1y h SER 27 Cb 1.20 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.19 2b1y h SER 27 CO 0.41 0.61 -0.14 -0.94 -0.87 0.00 0.00 176.83 175.90 2b1y s SER 28 N -6.12 -0.09 -0.12 4.97 1.04 -1.26 -5.12 113.70 107.00 2b1y s SER 28 Ca -0.00 -0.85 -0.36 0.00 0.48 0.00 0.00 55.95 55.21 2b1y s SER 28 Cb 0.08 0.56 -0.14 0.00 0.10 0.00 0.00 66.02 66.62 2b1y s SER 28 CO 0.79 -1.08 1.78 0.52 0.98 0.00 0.00 173.24 176.23 2b1y n VAL 29 N -0.34 0.40 -3.95 5.02 0.31 -1.26 -4.94 118.33 113.56 2b1y n VAL 29 Ca -0.04 -0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.12 2b1y n VAL 29 Cb 0.62 -1.56 -0.03 0.00 -0.91 0.00 0.00 33.84 31.97 2b1y n VAL 29 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 2b1y s ASN 30 N 3.39 0.12 0.13 4.52 -0.87 -1.26 -5.16 114.94 115.80 2b1y s ASN 30 Ca 0.93 -1.04 -0.11 0.00 -1.57 0.00 0.00 52.86 51.07 2b1y s ASN 30 Cb -0.84 0.69 -0.06 0.00 -0.02 0.00 0.00 41.25 41.02 2b1y s ASN 30 CO 0.55 -1.34 0.46 0.20 -2.57 0.00 0.00 177.10 174.40 2b1y s ASN 31 N -3.06 6.68 -0.09 -1.22 0.01 -1.26 -5.08 114.94 110.92 2b1y s ASN 31 Ca 0.21 0.88 0.01 0.00 -0.71 0.00 0.00 52.86 53.25 2b1y s ASN 31 Cb -0.03 -2.21 0.02 0.00 0.41 0.00 0.00 41.25 39.44 2b1y s ASN 31 CO 0.12 0.11 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.00 2b1y s VAL 32 N -1.50 1.23 -0.05 1.60 1.01 -1.26 -5.10 120.40 116.33 2b1y s VAL 32 Ca 0.37 -0.48 -0.01 0.00 0.00 0.00 0.00 61.98 61.86 2b1y s VAL 32 Cb -0.14 -1.15 0.03 0.00 0.00 0.00 0.00 36.38 35.12 2b1y s VAL 32 CO 0.19 0.39 0.02 -0.13 0.00 0.00 0.00 175.10 175.57 2b1y s ARG 33 N 1.04 0.29 0.06 2.72 0.52 -1.26 -5.29 118.95 117.03 2b1y s ARG 33 Ca -0.07 0.20 0.01 0.00 -0.52 0.00 0.00 55.73 55.35 2b1y s ARG 33 Cb -0.15 -0.70 -0.04 0.00 0.52 0.00 0.00 34.95 34.58 2b1y s ARG 33 CO -0.01 -0.28 0.17 -1.17 0.02 0.00 0.00 175.30 174.03 2b1y s LEU 34 N 1.86 4.20 0.42 2.53 2.96 -1.26 -5.10 118.68 124.28 2b1y s LEU 34 Ca 0.02 0.20 0.08 0.00 -0.22 0.00 0.00 54.13 54.21 2b1y s LEU 34 Cb -0.12 -2.78 -0.02 0.00 0.50 0.00 0.00 46.19 43.76 2b1y s LEU 34 CO -0.04 0.18 0.38 0.42 -1.32 0.00 0.00 176.35 175.98 2b1y s THR 36 N -1.45 2.64 0.20 3.68 -4.23 -1.26 -5.13 115.64 110.08 2b1y s THR 36 Ca 0.32 -1.34 -0.11 0.00 -1.18 0.00 0.00 61.69 59.38 2b1y s THR 36 Cb -0.13 -2.98 0.13 0.00 1.34 0.00 0.00 72.50 70.87 2b1y s THR 36 CO 0.25 0.00 1.85 1.23 -0.54 0.00 0.00 174.62 177.41 2b1y h GLY 37 N 1.02 0.97 0.85 3.99 0.00 -2.00 0.94 103.07 108.84 2b1y h GLY 37 Ca -0.41 -0.33 0.04 0.00 0.00 0.00 0.00 47.33 46.62 2b1y h GLY 37 CO 0.57 0.30 0.61 0.00 0.00 0.00 0.00 176.54 178.02 2b1y h ALA 38 N 1.28 1.26 -0.01 3.60 0.00 -2.06 -1.33 119.26 122.00 2b1y h ALA 38 Ca 0.27 -0.04 -0.15 0.00 0.00 0.00 0.00 54.91 54.99 2b1y h ALA 38 Cb -0.02 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 17.43 2b1y h ALA 38 CO -0.09 0.47 -0.68 -0.91 0.00 0.00 0.00 179.25 178.04 2b1y h ASN 39 N 1.17 0.08 -0.65 0.00 4.21 -1.87 -2.34 115.58 116.20 2b1y h ASN 39 Ca 0.38 -0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.82 2b1y h ASN 39 Cb 0.04 -0.02 -0.03 0.00 -1.12 0.00 0.00 38.32 37.18 2b1y h ASN 39 CO -0.13 0.74 0.34 0.15 -1.29 0.00 0.00 177.43 177.24 2b1y h PHE 40 N 0.05 0.92 -0.60 1.19 3.57 -0.23 0.55 116.94 122.40 2b1y h PHE 40 Ca -0.01 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.41 2b1y h PHE 40 Cb 1.21 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.63 2b1y h PHE 40 CO 0.01 0.66 0.16 1.96 -2.23 0.00 0.00 178.31 178.87 2b1y h GLN 41 N 0.94 0.94 -0.20 1.11 1.08 -0.76 -1.54 115.11 116.69 2b1y h GLN 41 Ca 0.23 -0.22 0.02 0.00 -1.45 0.00 0.00 58.65 57.24 2b1y h GLN 41 Cb 0.07 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.34 2b1y h GLN 41 CO -0.03 0.86 0.05 0.00 -0.95 0.00 0.00 178.83 178.75 2b1y h ARG 42 N 0.86 0.13 -0.53 1.46 3.08 -1.12 -2.72 114.38 115.53 2b1y h ARG 42 Ca 0.19 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 60.33 2b1y h ARG 42 Cb 0.32 -0.03 -0.08 0.00 0.08 0.00 0.00 29.97 30.26 2b1y h ARG 42 CO -0.00 0.09 0.05 0.35 -1.07 0.00 0.00 179.97 179.38 2b1y h PHE 43 N 0.14 0.05 -0.74 3.04 3.57 -0.61 -1.27 116.94 121.13 2b1y h PHE 43 Ca 0.09 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.75 2b1y h PHE 43 Cb 0.07 0.06 -0.09 0.00 2.79 0.00 0.00 35.95 38.78 2b1y h PHE 43 CO -0.13 -0.08 0.32 1.15 -2.23 0.00 0.00 178.31 177.34 2b1y h THR 44 N 0.17 0.73 -0.53 4.41 2.02 -1.06 -1.21 112.91 117.44 2b1y h THR 44 Ca 0.27 -0.17 -0.03 0.00 0.77 0.00 0.00 66.41 67.25 2b1y h THR 44 Cb 0.41 0.18 -0.02 0.00 -1.74 0.00 0.00 68.15 66.98 2b1y h THR 44 CO -0.41 0.09 0.20 -0.33 0.37 0.00 0.00 175.52 175.44 2b1y h GLU 45 N 0.50 0.80 -0.79 6.66 4.39 -0.99 -2.76 114.58 122.40 2b1y h GLU 45 Ca 0.39 -0.15 0.19 0.00 0.34 0.00 0.00 59.36 60.12 2b1y h GLU 45 Cb 0.52 -0.13 -0.13 0.00 -0.10 0.00 0.00 28.75 28.92 2b1y h GLU 45 CO -0.35 0.71 0.10 1.25 -1.16 0.00 0.00 179.01 179.57 2b1y h LEU 46 N 0.72 -0.18 -2.30 1.33 5.85 -0.15 -2.45 115.31 118.12 2b1y h LEU 46 Ca 0.18 0.19 0.04 0.00 0.84 0.00 0.00 57.88 59.12 2b1y h LEU 46 Cb 0.22 0.30 -0.01 0.00 0.37 0.00 0.00 40.66 41.54 2b1y h LEU 46 CO -0.01 -0.15 0.17 -0.07 -0.34 0.00 0.00 178.44 178.04 2b1y h LEU 47 N 0.16 0.00 -2.79 2.25 3.38 -1.13 0.43 115.31 117.62 2b1y h LEU 47 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 2b1y h LEU 47 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 2b1y h LEU 47 CO -0.64 0.00 0.00 0.47 0.09 0.00 0.00 178.44 178.36 2b1y n ASP 48 N -3.71 3.07 -4.66 -0.43 8.00 -0.93 -1.55 116.55 116.35 2b1y n ASP 48 Ca 0.00 -1.98 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 2b1y n ASP 48 Cb 0.27 -0.27 -0.02 0.00 -0.02 0.00 0.00 41.12 41.09 2b1y n ASP 48 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 2b1y s PHE 49 N -1.01 2.79 0.02 1.24 5.36 0.14 -5.01 117.98 121.52 2b1y s PHE 49 Ca 0.27 0.96 0.04 0.00 -0.96 0.00 0.00 56.93 57.25 2b1y s PHE 49 Cb 0.14 -3.56 -0.02 0.00 -0.34 0.00 0.00 43.02 39.25 2b1y s PHE 49 CO 0.19 -1.78 -0.13 0.15 -1.46 0.00 0.00 175.22 172.18 2b1y s LYS 50 N 3.60 0.97 0.26 10.12 -0.14 -1.26 -5.00 119.74 128.29 2b1y s LYS 50 Ca 0.56 -0.64 -0.20 0.00 -1.36 0.00 0.00 55.97 54.33 2b1y s LYS 50 Cb -0.22 -0.96 0.02 0.00 -1.68 0.00 0.00 37.83 35.00 2b1y s LYS 50 CO 0.16 0.25 0.67 1.52 -0.76 0.00 0.00 175.35 177.18 2b1y s TYR 51 N -0.64 -0.15 -0.09 3.18 1.13 -1.26 -5.16 117.35 114.36 2b1y s TYR 51 Ca 0.03 -0.26 -0.00 0.00 -1.41 0.00 0.00 57.07 55.42 2b1y s TYR 51 Cb -0.07 0.62 -0.03 0.00 -1.10 0.00 0.00 41.96 41.38 2b1y s TYR 51 CO 0.01 -1.15 -0.06 -0.51 -2.51 0.00 0.00 175.55 171.32 2b1y s LEU 52 N -2.91 3.19 0.00 -3.49 1.43 -1.26 -5.01 118.68 110.62 2b1y s LEU 52 Ca 0.11 -0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.17 2b1y s LEU 52 Cb -0.05 -1.71 0.00 0.00 0.03 0.00 0.00 46.19 44.46 2b1y s LEU 52 CO 0.05 0.32 0.00 0.61 0.23 0.00 0.00 176.35 177.56 2b1y n GLY 53 N 2.52 0.38 0.00 -3.19 0.00 -1.26 -5.08 105.19 98.56 2b1y n GLY 53 Ca -0.18 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.19 2b1y n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2b1y n GLY 54 N 0.00 0.29 3.69 -0.02 0.00 -1.26 -5.09 105.19 102.80 2b1y n GLY 54 Ca 0.00 -1.36 -0.42 0.00 0.00 0.00 0.00 46.02 44.24 2b1y n GLY 54 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2b1y s VAL 55 N -3.72 4.71 -0.21 1.61 1.01 -1.26 -5.01 120.40 117.53 2b1y s VAL 55 Ca 0.00 1.98 -0.10 0.00 0.00 0.00 0.00 61.98 63.86 2b1y s VAL 55 Cb 0.00 -4.27 -0.05 0.00 0.00 0.00 0.00 36.38 32.06 2b1y s VAL 55 CO 0.00 0.01 0.15 0.00 0.00 0.00 0.00 175.10 175.25 2b1y s ALA 56 N 2.00 3.66 -0.21 5.51 0.00 -1.26 -4.94 121.76 126.52 2b1y s ALA 56 Ca 0.49 -0.76 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2b1y s ALA 56 Cb -0.19 -2.23 0.03 0.00 0.00 0.00 0.00 23.12 20.72 2b1y s ALA 56 CO 0.19 0.03 0.72 1.63 0.00 0.00 0.00 175.76 178.32 2b1y n LYS 57 N 3.81 0.48 -4.08 0.00 5.02 -1.26 -5.04 118.16 117.09 2b1y n LYS 57 Ca -0.15 -0.94 -0.07 0.00 -2.02 0.00 0.00 58.31 55.13 2b1y n LYS 57 Cb 0.52 -1.04 -0.10 0.00 -0.02 0.00 0.00 35.03 34.39 2b1y n LYS 57 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2b1y s LYS 58 N -0.43 0.59 -0.15 1.97 1.02 -1.26 -5.17 119.74 116.30 2b1y s LYS 58 Ca 0.03 -1.16 -0.14 0.00 0.02 0.00 0.00 55.97 54.72 2b1y s LYS 58 Cb 0.02 0.20 0.04 0.00 -0.52 0.00 0.00 37.83 37.57 2b1y s LYS 58 CO 0.02 -0.11 0.40 0.45 -0.92 0.00 0.00 175.35 175.20 2b1y s SER 59 N -2.79 -0.42 0.68 2.83 0.15 -1.26 -4.40 113.70 108.49 2b1y s SER 59 Ca 0.05 0.80 -0.08 0.00 0.70 0.00 0.00 55.95 57.43 2b1y s SER 59 Cb 0.06 0.82 0.04 0.00 -1.71 0.00 0.00 66.02 65.23 2b1y s SER 59 CO -0.09 -0.15 1.01 -2.16 1.20 0.00 0.00 173.24 173.06 2b1y s PRO 60 N 0.19 2.48 0.33 5.44 0.04 -1.26 -5.19 135.00 137.03 2b1y s PRO 60 Ca -0.00 -0.03 0.10 0.00 0.04 0.00 0.00 61.00 61.10 2b1y s PRO 60 Cb -0.03 -2.15 -0.06 0.00 0.04 0.00 0.00 34.50 32.30 2b1y s PRO 60 CO 0.01 -1.09 -0.09 0.96 0.04 0.00 0.00 177.00 176.82 2b1y s ILE 61 N -3.23 2.42 -0.03 0.56 -4.36 -1.26 -5.14 121.20 110.16 2b1y s ILE 61 Ca 0.58 -2.18 0.06 0.00 -0.26 0.00 0.00 60.65 58.85 2b1y s ILE 61 Cb -0.11 -2.62 -0.01 0.00 1.25 0.00 0.00 42.46 40.97 2b1y s ILE 61 CO 0.46 -0.25 -0.21 -0.13 0.24 0.00 0.00 174.94 175.05 2b1y s ARG 62 N -3.62 1.86 -0.04 0.37 0.52 -1.26 -5.09 118.95 111.70 2b1y s ARG 62 Ca 0.32 -0.77 0.01 0.00 -0.52 0.00 0.00 55.73 54.78 2b1y s ARG 62 Cb 0.00 -1.74 0.02 0.00 0.52 0.00 0.00 34.95 33.76 2b1y s ARG 62 CO 0.17 0.42 -0.03 0.42 0.02 0.00 0.00 175.30 176.30 2b1y s ILE 63 N -0.39 0.39 -0.14 1.52 1.01 -1.26 -5.14 121.20 117.20 2b1y s ILE 63 Ca 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 60.65 60.57 2b1y s ILE 63 Cb -0.09 -0.44 -0.04 0.00 0.01 0.00 0.00 42.46 41.90 2b1y s ILE 63 CO 0.00 0.19 0.12 0.00 0.00 0.00 0.00 174.94 175.25 2b1y s ALA 64 N 0.86 3.75 0.04 9.38 0.00 -1.26 -5.05 121.76 129.48 2b1y s ALA 64 Ca -0.10 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 50.88 2b1y s ALA 64 Cb -0.13 -1.96 -0.06 0.00 0.00 0.00 0.00 23.12 20.96 2b1y s ALA 64 CO -0.00 0.48 1.29 0.08 0.00 0.00 0.00 175.76 177.61 2b1y s VAL 65 N -0.60 3.82 -0.34 0.00 1.01 -1.26 -4.94 120.40 118.09 2b1y s VAL 65 Ca 0.12 1.26 0.20 0.00 0.00 0.00 0.00 61.98 63.57 2b1y s VAL 65 Cb -0.12 -3.81 0.23 0.00 0.00 0.00 0.00 36.38 32.68 2b1y s VAL 65 CO 0.02 0.06 1.53 1.55 0.00 0.00 0.00 175.10 178.26 2b1y h PRO 66 N 7.14 0.00 -3.32 2.72 0.13 -2.06 -3.47 132.00 133.14 2b1y h PRO 66 Ca -0.40 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.64 2b1y h PRO 66 Cb 1.20 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.16 2b1y h PRO 66 CO 0.86 0.17 -0.24 -1.21 -0.23 0.00 0.00 178.00 177.35 2b1y s GLU 67 N -3.13 0.84 -0.26 0.86 0.41 -1.26 -5.31 118.70 110.84 2b1y s GLU 67 Ca 0.06 -0.54 -0.26 0.00 -0.41 0.00 0.00 54.97 53.82 2b1y s GLU 67 Cb 0.06 0.36 0.00 0.00 -1.78 0.00 0.00 34.13 32.77 2b1y s GLU 67 CO 0.70 -0.27 0.91 0.99 -0.49 0.00 0.00 175.26 177.09 2b1y s THR 68 N -2.71 4.75 -0.14 3.63 2.01 -1.26 -5.07 115.64 116.84 2b1y s THR 68 Ca -0.04 1.64 -0.27 0.00 0.31 0.00 0.00 61.69 63.32 2b1y s THR 68 Cb -0.00 -4.21 -0.01 0.00 0.01 0.00 0.00 72.50 68.29 2b1y s THR 68 CO -0.04 -0.18 0.93 -2.28 -0.69 0.00 0.00 174.62 172.35 2b1y s HIS 70 N 3.05 3.46 0.13 4.92 5.65 -1.26 -5.29 115.29 125.95 2b1y s HIS 70 Ca 0.38 1.43 0.09 0.00 0.25 0.00 0.00 55.06 57.21 2b1y s HIS 70 Cb -0.15 -3.11 -0.04 0.00 -1.18 0.00 0.00 32.58 28.10 2b1y s HIS 70 CO 0.09 -0.25 -0.19 -1.58 -0.65 0.00 0.00 174.74 172.16 2b1y s TRP 71 N 2.16 2.50 -0.01 3.88 0.52 -1.26 -5.14 118.94 121.59 2b1y s TRP 71 Ca 0.43 -0.28 0.03 0.00 0.02 0.00 0.00 56.10 56.30 2b1y s TRP 71 Cb -0.17 -1.32 -0.00 0.00 -1.15 0.00 0.00 33.47 30.82 2b1y s TRP 71 CO 0.14 0.39 -0.09 -1.01 0.02 0.00 0.00 176.95 176.40 2b1y s HIS 72 N -1.19 0.89 -0.15 -1.98 3.76 -1.26 -5.14 115.29 110.23 2b1y s HIS 72 Ca 0.18 -0.19 0.00 0.00 -0.15 0.00 0.00 55.06 54.90 2b1y s HIS 72 Cb -0.10 -0.60 -0.00 0.00 1.11 0.00 0.00 32.58 32.98 2b1y s HIS 72 CO 0.10 -0.05 -0.16 -1.17 -0.85 0.00 0.00 174.74 172.61 2b1y s LEU 73 N -0.05 2.48 -0.13 0.89 2.96 -1.26 -5.10 118.68 118.46 2b1y s LEU 73 Ca 0.01 -0.46 -0.01 0.00 -0.22 0.00 0.00 54.13 53.45 2b1y s LEU 73 Cb -0.06 -1.56 -0.02 0.00 0.50 0.00 0.00 46.19 45.05 2b1y s LEU 73 CO -0.00 0.10 -0.09 -0.63 -1.32 0.00 0.00 176.35 174.41 2b1y s ILE 74 N 0.71 3.40 -0.17 6.68 -1.09 -1.26 -5.10 121.20 124.37 2b1y s ILE 74 Ca -0.07 -0.54 -0.04 0.00 -2.23 0.00 0.00 60.65 57.77 2b1y s ILE 74 Cb -0.16 -2.45 -0.03 0.00 -1.58 0.00 0.00 42.46 38.25 2b1y s ILE 74 CO 0.01 0.52 -0.03 -0.63 -1.23 0.00 0.00 174.94 173.58 2b1y s ILE 75 N 0.25 3.88 0.12 2.92 -1.09 -1.26 -5.10 121.20 120.93 2b1y s ILE 75 Ca -0.07 -0.35 -0.12 0.00 -2.23 0.00 0.00 60.65 57.88 2b1y s ILE 75 Cb -0.15 -2.72 0.01 0.00 -1.58 0.00 0.00 42.46 38.03 2b1y s ILE 75 CO 0.04 0.48 0.30 1.51 -1.23 0.00 0.00 174.94 176.04 2b1y s ASP 76 N 0.55 -0.03 -0.26 3.58 -4.77 -1.26 -5.00 116.67 109.47 2b1y s ASP 76 Ca -0.03 -0.58 0.13 0.00 -3.30 0.00 0.00 52.55 48.77 2b1y s ASP 76 Cb -0.14 0.42 0.72 0.00 -1.09 0.00 0.00 42.92 42.83 2b1y s ASP 76 CO 0.03 -0.83 1.69 0.00 0.70 0.00 0.00 175.17 176.76 2b1y n ALA 77 N -0.17 3.97 -1.67 2.11 0.00 -1.26 -4.91 120.51 118.58 2b1y n ALA 77 Ca -0.13 -2.23 -0.44 0.00 0.00 0.00 0.00 53.44 50.64 2b1y n ALA 77 Cb 0.63 -1.06 -0.03 0.00 0.00 0.00 0.00 19.45 18.98 2b1y n ALA 77 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2b1y n GLU 78 N 0.01 2.71 -0.99 0.00 2.13 -1.26 -1.14 120.64 122.09 2b1y n GLU 78 Ca 0.31 0.99 0.00 0.00 0.66 0.00 0.00 57.16 59.13 2b1y n GLU 78 Cb 1.20 -2.92 0.00 0.00 0.27 0.00 0.00 31.44 29.99 2b1y n GLU 78 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2b1y n GLY 79 N 4.51 0.54 3.38 8.31 0.00 -1.26 -5.03 105.19 115.65 2b1y n GLY 79 Ca 0.21 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.03 2b1y n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2b1y s HIS 80 N -2.25 1.85 0.23 1.61 3.76 -0.29 -5.06 115.29 115.13 2b1y s HIS 80 Ca 0.00 -0.56 0.04 0.00 -0.15 0.00 0.00 55.06 54.39 2b1y s HIS 80 Cb 0.00 -0.89 0.21 0.00 1.11 0.00 0.00 32.58 33.01 2b1y s HIS 80 CO 0.00 0.40 1.53 0.66 -0.85 0.00 0.00 174.74 176.48 2b1y h SER 81 N 2.45 0.26 -5.15 1.40 4.64 -1.96 -3.48 113.55 111.72 2b1y h SER 81 Ca -0.39 -0.16 -0.02 0.00 -0.47 0.00 0.00 61.79 60.75 2b1y h SER 81 Cb 1.23 -0.08 -0.07 0.00 -0.31 0.00 0.00 62.40 63.18 2b1y h SER 81 CO 0.63 0.84 0.04 -0.83 -0.87 0.00 0.00 176.83 176.64 2b1y s GLY 82 N -4.36 0.35 -0.18 -0.77 0.00 -1.26 -5.14 107.32 95.96 2b1y s GLY 82 Ca -0.04 -0.70 -0.21 0.00 0.00 0.00 0.00 44.72 43.77 2b1y s GLY 82 CO 0.80 -0.42 0.65 -2.27 0.00 0.00 0.00 173.10 171.85 2b1y s LEU 83 N -3.00 4.16 0.49 0.66 2.96 -1.26 -4.66 118.68 118.03 2b1y s LEU 83 Ca 0.18 0.88 -0.23 0.00 -0.22 0.00 0.00 54.13 54.75 2b1y s LEU 83 Cb -0.03 -2.92 -0.06 0.00 0.50 0.00 0.00 46.19 43.67 2b1y s LEU 83 CO 0.09 -0.26 1.24 0.00 -1.32 0.00 0.00 176.35 176.10 2b1y s ALA 84 N 1.81 2.93 0.51 5.97 0.00 -1.26 -5.03 121.76 126.69 2b1y s ALA 84 Ca 0.30 1.10 -0.20 0.00 0.00 0.00 0.00 51.96 53.15 2b1y s ALA 84 Cb -0.16 -3.46 -0.07 0.00 0.00 0.00 0.00 23.12 19.44 2b1y s ALA 84 CO 0.11 -0.93 1.12 -1.21 0.00 0.00 0.00 175.76 174.85 2b1y s GLU 85 N -2.76 3.52 0.12 0.00 8.01 -1.26 -5.02 118.70 121.32 2b1y s GLU 85 Ca 0.66 1.61 -0.12 0.00 0.01 0.00 0.00 54.97 57.13 2b1y s GLU 85 Cb -0.33 -2.12 0.02 0.00 -4.31 0.00 0.00 34.13 27.38 2b1y s GLU 85 CO 0.40 -0.71 0.32 -1.54 0.01 0.00 0.00 175.26 173.74 2b1y s SER 86 N -1.70 -0.07 0.03 -0.19 1.04 -1.26 -5.16 113.70 106.39 2b1y s SER 86 Ca 0.70 -0.53 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 2b1y s SER 86 Cb -0.24 0.43 0.01 0.00 0.10 0.00 0.00 66.02 66.32 2b1y s SER 86 CO 0.28 -0.83 0.23 -0.94 0.98 0.00 0.00 173.24 172.96 2b1y s SER 87 N -2.85 -0.03 -0.03 7.02 1.04 -1.26 -5.17 113.70 112.41 2b1y s SER 87 Ca 0.06 -0.26 0.01 0.00 0.48 0.00 0.00 55.95 56.25 2b1y s SER 87 Cb 0.03 0.30 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2b1y s SER 87 CO -0.09 -0.55 -0.04 0.54 0.98 0.00 0.00 173.24 174.08 2b1y s VAL 88 N -2.33 0.45 0.00 5.02 0.11 -1.26 -5.10 120.40 117.30 2b1y s VAL 88 Ca -0.07 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 58.87 2b1y s VAL 88 Cb -0.02 -0.47 0.00 0.00 -1.53 0.00 0.00 36.38 34.36 2b1y s VAL 88 CO -0.02 0.19 0.00 1.17 -3.33 0.00 0.00 175.10 173.10 2b1y n LYS 89 N 3.79 3.97 -3.64 1.54 4.81 -1.26 -5.29 118.16 122.07 2b1y n LYS 89 Ca -0.23 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.16 2b1y n LYS 89 Cb 0.52 0.00 -0.07 0.00 0.02 0.00 0.00 35.03 35.50 2b1y n LYS 89 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2b1y s LEU 91 N 0.00 -0.27 0.53 3.14 1.43 -1.26 -5.12 118.68 117.13 2b1y s LEU 91 Ca 0.00 0.50 -0.21 0.00 -1.03 0.00 0.00 54.13 53.39 2b1y s LEU 91 Cb 0.00 1.49 -0.07 0.00 0.03 0.00 0.00 46.19 47.64 2b1y s LEU 91 CO 0.00 -0.08 1.04 -2.65 0.23 0.00 0.00 176.35 174.88 2b1y n PRO 92 N 2.21 1.20 -2.12 1.29 -0.02 -1.26 -4.96 135.00 131.34 2b1y n PRO 92 Ca -0.13 0.45 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 2b1y n PRO 92 Cb 0.56 -2.18 0.01 0.00 -0.02 0.00 0.00 33.50 31.87 2b1y n PRO 92 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2b1y s ALA 93 N -1.40 2.76 0.39 3.55 0.00 -1.26 -5.01 121.76 120.78 2b1y s ALA 93 Ca 0.70 0.98 -0.24 0.00 0.00 0.00 0.00 51.96 53.40 2b1y s ALA 93 Cb -0.46 -3.42 -0.09 0.00 0.00 0.00 0.00 23.12 19.14 2b1y s ALA 93 CO 0.51 -0.93 1.04 -0.65 0.00 0.00 0.00 175.76 175.74 2b1y s GLN 94 N -3.05 4.23 0.27 0.00 -1.52 -1.26 -5.00 119.66 113.32 2b1y s GLN 94 Ca 0.71 1.51 -0.30 0.00 -1.95 0.00 0.00 55.36 55.33 2b1y s GLN 94 Cb -0.30 -2.60 -0.11 0.00 -0.22 0.00 0.00 33.01 29.78 2b1y s GLN 94 CO 0.34 -0.08 1.62 -2.14 -0.25 0.00 0.00 175.29 174.77 2b1y s PRO 95 N -2.40 4.13 -0.01 2.91 0.02 -1.26 -5.02 135.00 133.37 2b1y s PRO 95 Ca 0.56 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.17 2b1y s PRO 95 Cb -0.22 -3.04 -0.00 0.00 0.02 0.00 0.00 34.50 31.25 2b1y s PRO 95 CO 0.28 -0.65 -0.08 -0.65 -0.33 0.00 0.00 177.00 175.57 2b1y s GLN 96 N -0.05 0.68 0.43 5.54 -0.21 -1.26 -5.14 119.66 119.64 2b1y s GLN 96 Ca 0.66 -0.26 -0.22 0.00 0.02 0.00 0.00 55.36 55.56 2b1y s GLN 96 Cb -0.48 -0.66 -0.10 0.00 1.00 0.00 0.00 33.01 32.77 2b1y s GLN 96 CO 0.43 0.14 0.98 0.00 -2.12 0.00 0.00 175.29 174.72 2b1y s ALA 97 N -0.04 3.03 -0.17 6.09 0.00 -1.26 -5.06 121.76 124.35 2b1y s ALA 97 Ca 0.01 0.48 -0.20 0.00 0.00 0.00 0.00 51.96 52.25 2b1y s ALA 97 Cb -0.05 -3.19 -0.03 0.00 0.00 0.00 0.00 23.12 19.86 2b1y s ALA 97 CO -0.00 0.02 0.58 0.99 0.00 0.00 0.00 175.76 177.35 2b1y s THR 98 N -2.03 5.07 0.50 0.00 2.01 -1.26 -5.07 115.64 114.87 2b1y s THR 98 Ca 0.61 1.11 -0.08 0.00 0.31 0.00 0.00 61.69 63.65 2b1y s THR 98 Cb -0.13 -3.91 -0.05 0.00 0.01 0.00 0.00 72.50 68.43 2b1y s THR 98 CO 0.17 0.18 0.85 -0.76 -0.69 0.00 0.00 174.62 174.36 2b1y s LEU 99 N 1.52 3.58 0.43 4.42 1.43 -1.26 -5.10 118.68 123.70 2b1y s LEU 99 Ca 0.28 1.11 0.03 0.00 -1.03 0.00 0.00 54.13 54.52 2b1y s LEU 99 Cb -0.16 -4.07 -0.03 0.00 0.03 0.00 0.00 46.19 41.96 2b1y s LEU 99 CO 0.11 -0.60 0.09 0.42 0.23 0.00 0.00 176.35 176.59 2b1y s THR 100 N -2.75 0.84 0.68 5.49 -4.23 -1.26 -5.16 115.64 109.25 2b1y s THR 100 Ca 0.50 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.90 2b1y s THR 100 Cb -0.10 -2.36 -0.00 0.00 1.34 0.00 0.00 72.50 71.37 2b1y s THR 100 CO 0.43 0.00 1.06 -0.13 -0.54 0.00 0.00 174.62 175.45 2b1y s ARG 101 N -3.77 3.11 0.48 3.99 0.52 -1.26 -5.02 118.95 117.00 2b1y s ARG 101 Ca 0.20 0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 55.89 2b1y s ARG 101 Cb 0.03 -2.03 -0.07 0.00 0.52 0.00 0.00 34.95 33.40 2b1y s ARG 101 CO 0.12 -0.91 1.16 0.15 0.02 0.00 0.00 175.30 175.84 2b1y s LYS 102 N -5.20 3.65 -0.06 3.54 1.02 -1.26 -4.93 119.74 116.50 2b1y s LYS 102 Ca 0.57 1.75 -0.33 0.00 0.02 0.00 0.00 55.97 57.98 2b1y s LYS 102 Cb -0.12 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 34.77 2b1y s LYS 102 CO 0.54 -0.63 1.94 0.00 -0.92 0.00 0.00 175.35 176.27 2b1y n ALA 103 N -0.68 1.17 0.28 5.17 0.00 -1.26 -5.36 120.51 119.83 2b1y n ALA 103 Ca 0.08 0.23 0.02 0.00 0.00 0.00 0.00 53.44 53.77 2b1y n ALA 103 Cb 0.49 -2.58 0.13 0.00 0.00 0.00 0.00 19.45 17.48 2b1y n ALA 103 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37