#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1b0y s ALA 2 N 0.00 3.27 0.57 -0.43 0.00 -1.26 -5.01 121.76 118.90 1b0y s ALA 2 Ca 0.00 0.71 -0.18 0.00 0.00 0.00 0.00 51.96 52.49 1b0y s ALA 2 Cb 0.00 -3.26 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 1b0y s ALA 2 CO 0.00 -0.03 1.12 -1.25 0.00 0.00 0.00 175.76 175.61 1b0y s PRO 3 N -1.80 3.23 0.57 0.00 0.04 -1.26 -4.93 135.00 130.84 1b0y s PRO 3 Ca 0.49 1.56 0.34 0.00 0.04 0.00 0.00 61.00 63.43 1b0y s PRO 3 Cb -0.25 -1.99 1.62 0.00 0.04 0.00 0.00 34.50 33.91 1b0y s PRO 3 CO 0.32 -0.94 2.09 0.00 0.04 0.00 0.00 177.00 178.51 1b0y h ALA 4 N 0.92 1.06 -0.65 8.56 0.00 -2.01 -1.75 119.26 125.39 1b0y h ALA 4 Ca -0.49 -0.04 -0.20 0.00 0.00 0.00 0.00 54.91 54.18 1b0y h ALA 4 Cb 1.26 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.92 1b0y h ALA 4 CO 0.56 0.06 0.22 0.27 0.00 0.00 0.00 179.25 180.35 1b0y n ASN 5 N -3.23 4.45 -4.78 0.00 6.94 -1.26 -4.97 115.26 112.41 1b0y n ASN 5 Ca -0.01 -3.27 -0.41 0.00 -0.02 0.00 0.00 54.58 50.87 1b0y n ASN 5 Cb 0.24 -0.71 0.00 0.00 -2.36 0.00 0.00 39.78 36.95 1b0y n ASN 5 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1b0y s ALA 6 N -3.02 3.52 0.10 -2.53 0.00 -0.66 -1.32 121.76 117.86 1b0y s ALA 6 Ca 0.53 1.56 -0.31 0.00 0.00 0.00 0.00 51.96 53.73 1b0y s ALA 6 Cb 0.43 -3.61 -0.09 0.00 0.00 0.00 0.00 23.12 19.85 1b0y s ALA 6 CO 0.11 -1.07 1.71 0.08 0.00 0.00 0.00 175.76 176.59 1b0y s VAL 7 N -1.13 2.79 0.29 0.00 1.01 0.53 -4.80 120.40 119.09 1b0y s VAL 7 Ca 0.54 0.31 -0.17 0.00 0.00 0.00 0.00 61.98 62.66 1b0y s VAL 7 Cb -0.46 -3.20 -0.09 0.00 0.00 0.00 0.00 36.38 32.63 1b0y s VAL 7 CO 0.62 0.00 0.74 0.00 0.00 0.00 0.00 175.10 176.46 1b0y s ALA 8 N 2.53 3.35 0.40 5.51 0.00 -1.26 -4.96 121.76 127.33 1b0y s ALA 8 Ca 0.76 0.09 0.38 0.00 0.00 0.00 0.00 51.96 53.20 1b0y s ALA 8 Cb -0.43 -2.80 1.89 0.00 0.00 0.00 0.00 23.12 21.78 1b0y s ALA 8 CO 0.34 0.33 2.18 0.00 0.00 0.00 0.00 175.76 178.60 1b0y h ALA 9 N 2.67 1.03 -0.60 0.00 0.00 -1.93 -1.63 119.26 118.79 1b0y h ALA 9 Ca -0.48 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1b0y h ALA 9 Cb 1.18 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.97 1b0y h ALA 9 CO 0.65 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.52 1b0y n ASP 10 N -3.14 3.60 -4.77 0.00 5.75 -1.26 -4.37 116.55 112.36 1b0y n ASP 10 Ca -0.01 -2.00 -0.41 0.00 -0.01 0.00 0.00 54.79 52.36 1b0y n ASP 10 Cb 0.19 -0.40 -0.01 0.00 -1.03 0.00 0.00 41.12 39.86 1b0y n ASP 10 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1b0y s ASN 11 N -1.00 6.56 0.29 -1.12 3.84 -0.62 -4.85 114.94 118.03 1b0y s ASN 11 Ca 0.40 2.85 -0.01 0.00 0.21 0.00 0.00 52.86 56.31 1b0y s ASN 11 Cb 0.21 -2.65 0.47 0.00 -0.55 0.00 0.00 41.25 38.72 1b0y s ASN 11 CO 0.27 -0.72 1.90 0.00 -2.79 0.00 0.00 177.10 175.77 1b0y h ALA 12 N 3.52 1.46 -0.40 1.71 0.00 -1.93 -0.64 119.26 122.98 1b0y h ALA 12 Ca -0.49 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.30 1b0y h ALA 12 Cb 1.23 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 1b0y h ALA 12 CO 0.67 0.41 -0.10 1.15 0.00 0.00 0.00 179.25 181.38 1b0y h THR 13 N 1.11 1.28 -0.38 0.00 2.02 -1.95 -1.20 112.91 113.78 1b0y h THR 13 Ca 0.40 -1.20 0.06 0.00 0.77 0.00 0.00 66.41 66.45 1b0y h THR 13 Cb 0.16 1.22 -0.05 0.00 -1.74 0.00 0.00 68.15 67.73 1b0y h THR 13 CO -0.15 0.40 0.04 0.00 0.37 0.00 0.00 175.52 176.19 1b0y h ALA 14 N 0.84 0.38 -0.47 6.16 0.00 -1.64 -0.40 119.26 124.13 1b0y h ALA 14 Ca 0.10 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1b0y h ALA 14 Cb 0.63 0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.53 1b0y h ALA 14 CO 0.04 -0.36 0.20 0.82 0.00 0.00 0.00 179.25 179.95 1b0y h ILE 15 N 0.16 1.20 -0.43 0.00 2.04 -0.99 -0.43 117.51 119.06 1b0y h ILE 15 Ca 0.18 -0.61 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1b0y h ILE 15 Cb 0.23 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.02 1b0y h ILE 15 CO -0.27 0.23 0.18 0.00 0.00 0.00 0.00 178.15 178.29 1b0y h ALA 16 N 1.04 1.51 -0.01 1.87 0.00 -0.88 -2.46 119.26 120.33 1b0y h ALA 16 Ca 0.16 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1b0y h ALA 16 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1b0y h ALA 16 CO -0.02 0.39 -0.05 1.28 0.00 0.00 0.00 179.25 180.85 1b0y n LEU 17 N -4.38 1.47 -3.28 0.00 4.77 -0.19 -4.94 117.00 110.45 1b0y n LEU 17 Ca 0.03 -0.47 -0.24 0.00 -0.03 0.00 0.00 56.01 55.30 1b0y n LEU 17 Cb 0.14 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1b0y n LEU 17 CO 0.37 0.25 0.05 0.29 -1.33 0.00 0.00 177.39 177.02 1b0y n LYS 18 N 0.06 -5.31 -2.27 3.23 5.02 -0.31 -0.42 118.16 118.16 1b0y n LYS 18 Ca 0.18 0.79 -0.41 0.00 -2.02 0.00 0.00 58.31 56.85 1b0y n LYS 18 Cb 0.36 -5.67 -0.03 0.00 -0.02 0.00 0.00 35.03 29.67 1b0y n LYS 18 CO 0.00 0.00 0.00 -0.47 -0.52 0.00 0.00 177.40 176.41 1b0y s TYR 19 N -3.18 3.29 -0.04 2.13 5.04 -0.36 -4.26 117.35 119.98 1b0y s TYR 19 Ca 0.41 1.51 0.01 0.00 -2.44 0.00 0.00 57.07 56.56 1b0y s TYR 19 Cb -0.19 -3.51 0.02 0.00 0.35 0.00 0.00 41.96 38.63 1b0y s TYR 19 CO 0.51 -1.32 -0.03 1.21 -1.34 0.00 0.00 175.55 174.57 1b0y s ASN 20 N -0.55 0.73 0.09 4.32 3.84 -0.12 -4.83 114.94 118.43 1b0y s ASN 20 Ca 0.48 -0.09 0.18 0.00 0.21 0.00 0.00 52.86 53.64 1b0y s ASN 20 Cb -0.36 -0.36 0.75 0.00 -0.55 0.00 0.00 41.25 40.73 1b0y s ASN 20 CO 0.46 -0.06 1.56 0.00 -2.79 0.00 0.00 177.10 176.27 1b0y n GLN 21 N 4.03 0.07 -3.95 0.43 10.64 -1.26 -1.19 117.38 126.14 1b0y n GLN 21 Ca -0.26 0.31 -0.33 0.00 -1.83 0.00 0.00 57.00 54.89 1b0y n GLN 21 Cb 0.51 -1.63 -0.14 0.00 -0.86 0.00 0.00 30.24 28.12 1b0y n GLN 21 CO 0.00 0.00 0.00 0.34 -1.83 0.00 0.00 177.06 175.57 1b0y s ASP 22 N -3.45 4.87 0.54 2.61 -1.08 -1.26 -2.75 116.67 116.15 1b0y s ASP 22 Ca 0.06 -1.94 0.24 0.00 -0.52 0.00 0.00 52.55 50.39 1b0y s ASP 22 Cb 0.10 -1.68 1.40 0.00 -1.46 0.00 0.00 42.92 41.28 1b0y s ASP 22 CO 0.32 -0.39 2.04 0.00 0.52 0.00 0.00 175.17 177.65 1b0y h ALA 23 N 7.79 2.31 0.00 3.66 0.00 -0.79 -0.23 119.26 132.00 1b0y h ALA 23 Ca -0.10 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1b0y h ALA 23 Cb 1.03 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1b0y h ALA 23 CO 0.56 -0.48 0.00 1.79 0.00 0.00 0.00 179.25 181.12 1b0y h THR 24 N 0.00 0.00 -0.02 0.00 1.35 -1.94 -1.90 112.91 110.40 1b0y h THR 24 Ca 0.18 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.75 1b0y h THR 24 Cb 0.75 1.20 0.00 0.00 -1.73 0.00 0.00 68.15 68.37 1b0y h THR 24 CO -0.00 0.00 -0.12 0.29 -0.25 0.00 0.00 175.52 175.44 1b0y n LYS 25 N -2.87 1.90 -2.27 4.72 5.02 -0.10 -4.99 118.16 119.58 1b0y n LYS 25 Ca -0.00 -1.50 -0.27 0.00 -2.02 0.00 0.00 58.31 54.52 1b0y n LYS 25 Cb 0.21 -1.47 0.14 0.00 -0.02 0.00 0.00 35.03 33.89 1b0y n LYS 25 CO 0.00 0.00 0.00 -1.54 -0.52 0.00 0.00 177.40 175.34 1b0y s SER 26 N -2.13 3.78 -0.26 4.39 1.04 -0.72 -4.98 113.70 114.82 1b0y s SER 26 Ca 0.27 -0.05 0.04 0.00 0.48 0.00 0.00 55.95 56.69 1b0y s SER 26 Cb 0.20 -0.18 0.46 0.00 0.10 0.00 0.00 66.02 66.60 1b0y s SER 26 CO 0.38 -2.26 1.53 -0.62 0.98 0.00 0.00 173.24 173.24 1b0y n GLU 27 N -3.27 2.21 -0.24 4.02 1.02 -1.26 -4.62 120.64 118.50 1b0y n GLU 27 Ca 0.15 -1.97 -0.08 0.00 -0.02 0.00 0.00 57.16 55.24 1b0y n GLU 27 Cb 0.60 -1.82 0.04 0.00 -0.02 0.00 0.00 31.44 30.24 1b0y n GLU 27 CO 0.00 0.00 0.00 0.07 1.18 0.00 0.00 177.13 178.38 1b0y h ARG 28 N 1.10 1.07 -0.22 3.49 0.11 -1.92 -0.33 114.38 117.68 1b0y h ARG 28 Ca 0.32 -0.26 -0.02 0.00 0.10 0.00 0.00 59.98 60.12 1b0y h ARG 28 Cb 2.04 -0.14 -0.01 0.00 1.11 0.00 0.00 29.97 32.97 1b0y h ARG 28 CO 0.63 0.95 0.06 -0.24 0.10 0.00 0.00 179.97 181.47 1b0y h VAL 29 N 0.99 1.20 -0.36 0.08 3.04 -1.85 -1.90 116.25 117.45 1b0y h VAL 29 Ca 0.21 -0.65 -0.07 0.00 -1.01 0.00 0.00 66.70 65.18 1b0y h VAL 29 Cb 0.36 1.21 -0.02 0.00 -2.01 0.00 0.00 31.29 30.84 1b0y h VAL 29 CO 0.00 0.20 -0.09 0.00 -1.01 0.00 0.00 177.57 176.68 1b0y h ALA 30 N 0.88 1.18 -0.01 3.17 0.00 -1.82 -2.99 119.26 119.67 1b0y h ALA 30 Ca 0.07 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1b0y h ALA 30 Cb 0.26 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1b0y h ALA 30 CO -0.00 0.53 -0.50 0.00 0.00 0.00 0.00 179.25 179.28 1b0y h ALA 31 N 1.34 1.17 -6.62 0.00 0.00 -0.85 -3.47 119.26 110.83 1b0y h ALA 31 Ca 0.11 -0.45 -0.53 0.00 0.00 0.00 0.00 54.91 54.04 1b0y h ALA 31 Cb 0.49 -0.08 -0.09 0.00 0.00 0.00 0.00 17.79 18.11 1b0y h ALA 31 CO 0.03 0.62 -0.90 0.00 0.00 0.00 0.00 179.25 179.00 1b0y n ALA 32 N -2.45 -1.99 -1.75 0.00 0.00 -0.73 -4.90 120.51 108.68 1b0y n ALA 32 Ca -0.02 -0.29 -0.37 0.00 0.00 0.00 0.00 53.44 52.77 1b0y n ALA 32 Cb 0.51 -1.40 0.03 0.00 0.00 0.00 0.00 19.45 18.60 1b0y n ALA 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1b0y s ARG 33 N -6.73 3.06 0.62 0.00 1.81 -1.26 -4.96 118.95 111.49 1b0y s ARG 33 Ca 0.02 1.94 -0.15 0.00 -1.72 0.00 0.00 55.73 55.83 1b0y s ARG 33 Cb -0.01 -2.05 -0.02 0.00 -0.45 0.00 0.00 34.95 32.41 1b0y s ARG 33 CO 0.91 -1.17 1.06 -1.25 -0.68 0.00 0.00 175.30 174.17 1b0y s PRO 34 N -3.16 3.21 0.00 3.54 0.04 -1.26 -4.40 135.00 132.98 1b0y s PRO 34 Ca 0.75 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.94 1b0y s PRO 34 Cb -0.33 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.19 1b0y s PRO 34 CO 0.37 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.93 1b0y n GLY 35 N -1.20 2.29 3.63 0.56 0.00 -1.26 -4.56 105.19 104.65 1b0y n GLY 35 Ca 0.08 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1b0y n GLY 35 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1b0y s LEU 36 N 0.00 -0.65 0.16 0.99 2.96 -1.26 -5.05 118.68 115.84 1b0y s LEU 36 Ca 0.00 1.24 -0.34 0.00 -0.22 0.00 0.00 54.13 54.81 1b0y s LEU 36 Cb 0.00 2.27 -0.15 0.00 0.50 0.00 0.00 46.19 48.81 1b0y s LEU 36 CO 0.00 -0.22 1.30 -2.65 -1.32 0.00 0.00 176.35 173.46 1b0y n PRO 37 N 2.50 1.44 -0.13 0.98 -0.02 -1.26 -4.84 135.00 133.68 1b0y n PRO 37 Ca -0.13 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 61.98 1b0y n PRO 37 Cb 0.55 -2.11 0.47 0.00 -0.02 0.00 0.00 33.50 32.39 1b0y n PRO 37 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 1b0y h PRO 38 N 4.12 0.48 0.00 0.52 0.11 -1.87 -1.13 132.00 134.22 1b0y h PRO 38 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1b0y h PRO 38 Cb 1.32 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1b0y h PRO 38 CO 0.75 0.32 0.00 0.39 -0.21 0.00 0.00 178.00 179.25 1b0y n GLU 39 N -4.48 0.47 0.00 1.05 -0.58 -1.26 -1.53 120.64 114.31 1b0y n GLU 39 Ca 0.11 0.04 0.08 0.00 -0.42 0.00 0.00 57.16 56.97 1b0y n GLU 39 Cb 0.38 -1.50 0.02 0.00 -0.57 0.00 0.00 31.44 29.77 1b0y n GLU 39 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1b0y n GLU 40 N -1.10 1.61 -2.71 3.49 1.02 -0.43 -5.00 120.64 117.53 1b0y n GLU 40 Ca 0.12 -0.94 -0.42 0.00 -0.02 0.00 0.00 57.16 55.90 1b0y n GLU 40 Cb 0.09 -1.26 -0.03 0.00 -0.02 0.00 0.00 31.44 30.22 1b0y n GLU 40 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1b0y s GLN 41 N -1.69 4.52 0.27 3.49 -0.21 -0.58 -4.94 119.66 120.52 1b0y s GLN 41 Ca 0.14 1.41 -0.19 0.00 0.02 0.00 0.00 55.36 56.74 1b0y s GLN 41 Cb 0.12 -3.48 0.01 0.00 1.00 0.00 0.00 33.01 30.67 1b0y s GLN 41 CO 0.34 -0.12 0.66 1.14 -2.12 0.00 0.00 175.29 175.18 1b0y s GLN 42 N 1.28 1.73 0.43 2.91 -2.07 -1.26 -4.86 119.66 117.82 1b0y s GLN 42 Ca 0.51 -1.07 0.13 0.00 -1.82 0.00 0.00 55.36 53.11 1b0y s GLN 42 Cb -0.20 0.57 1.01 0.00 -1.09 0.00 0.00 33.01 33.30 1b0y s GLN 42 CO 0.25 -0.78 1.97 0.00 -1.32 0.00 0.00 175.29 175.42 1b0y h ALA 44 N 1.69 2.23 -0.32 0.00 0.00 -1.62 -1.54 119.26 119.70 1b0y h ALA 44 Ca 0.28 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.10 1b0y h ALA 44 Cb 0.54 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.26 1b0y h ALA 44 CO -0.08 -0.38 0.00 0.27 0.00 0.00 0.00 179.25 179.06 1b0y n ASN 45 N -4.44 3.41 -4.88 0.00 0.23 -0.64 -5.01 115.26 103.94 1b0y n ASN 45 Ca 0.10 -3.30 -0.36 0.00 -0.53 0.00 0.00 54.58 50.49 1b0y n ASN 45 Cb 0.48 -0.59 -0.06 0.00 -2.08 0.00 0.00 39.78 37.54 1b0y n ASN 45 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1b0y h GLN 47 N 4.66 0.27 0.00 0.00 5.75 -0.69 -2.61 115.11 122.49 1b0y h GLN 47 Ca -0.53 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 57.95 1b0y h GLN 47 Cb 1.22 -0.06 0.00 0.00 1.07 0.00 0.00 27.48 29.71 1b0y h GLN 47 CO 0.61 0.18 -0.34 1.19 -2.65 0.00 0.00 178.83 177.81 1b0y n PHE 48 N -4.46 0.30 -2.08 3.99 3.72 -1.26 -4.89 117.46 112.77 1b0y n PHE 48 Ca 0.08 0.09 -0.41 0.00 -0.05 0.00 0.00 57.45 57.16 1b0y n PHE 48 Cb 0.38 -0.53 -0.02 0.00 -0.94 0.00 0.00 39.48 38.38 1b0y n PHE 48 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 176.76 178.12 1b0y s MET 49 N -3.06 4.33 -0.35 -1.08 1.75 -0.99 -1.08 119.30 118.82 1b0y s MET 49 Ca 0.10 2.25 0.02 0.00 -1.25 0.00 0.00 55.69 56.82 1b0y s MET 49 Cb 0.16 -3.06 0.10 0.00 2.84 0.00 0.00 34.83 34.87 1b0y s MET 49 CO 0.65 -0.22 0.09 -0.65 -0.65 0.00 0.00 175.02 174.24 1b0y s GLN 50 N -1.82 1.27 0.43 4.11 -0.21 0.25 -4.88 119.66 118.82 1b0y s GLN 50 Ca 0.49 -1.70 0.24 0.00 0.02 0.00 0.00 55.36 54.41 1b0y s GLN 50 Cb -0.40 -2.79 0.78 0.00 1.00 0.00 0.00 33.01 31.60 1b0y s GLN 50 CO 0.54 -0.98 1.77 0.00 -2.12 0.00 0.00 175.29 174.49 1b0y h ALA 51 N 7.61 0.96 -0.37 6.09 0.00 -1.94 0.14 119.26 131.75 1b0y h ALA 51 Ca -0.07 -0.20 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 1b0y h ALA 51 Cb 1.00 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.67 1b0y h ALA 51 CO 0.52 0.27 0.19 -3.47 0.00 0.00 0.00 179.25 176.76 1b0y n ASP 52 N -3.30 3.25 -4.78 0.00 2.03 -1.26 -4.74 116.55 107.74 1b0y n ASP 52 Ca 0.01 -2.60 -0.34 0.00 0.52 0.00 0.00 54.79 52.37 1b0y n ASP 52 Cb 0.47 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 40.24 1b0y n ASP 52 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1b0y s ALA 53 N -1.56 2.75 0.13 -1.67 0.00 -1.18 -4.95 121.76 115.28 1b0y s ALA 53 Ca 0.25 0.70 -0.32 0.00 0.00 0.00 0.00 51.96 52.59 1b0y s ALA 53 Cb 0.20 -3.31 -0.12 0.00 0.00 0.00 0.00 23.12 19.89 1b0y s ALA 53 CO 0.06 -0.63 1.76 0.00 0.00 0.00 0.00 175.76 176.95 1b0y n ALA 54 N -1.28 2.03 -0.83 0.00 0.00 -1.26 -1.41 120.51 117.77 1b0y n ALA 54 Ca 0.10 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.90 1b0y n ALA 54 Cb 0.52 -2.52 0.00 0.00 0.00 0.00 0.00 19.45 17.45 1b0y n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1b0y n GLY 55 N 4.01 0.84 3.76 0.00 0.00 -1.26 -4.98 105.19 107.57 1b0y n GLY 55 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1b0y n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1b0y s ALA 56 N -3.31 3.07 0.13 4.61 0.00 -0.50 -4.95 121.76 120.82 1b0y s ALA 56 Ca 0.00 1.32 0.02 0.00 0.00 0.00 0.00 51.96 53.30 1b0y s ALA 56 Cb 0.00 -3.54 -0.01 0.00 0.00 0.00 0.00 23.12 19.57 1b0y s ALA 56 CO 0.00 -1.13 0.07 0.25 0.00 0.00 0.00 175.76 174.95 1b0y n THR 57 N -0.46 0.00 0.25 0.00 -2.24 0.52 -4.98 114.28 107.37 1b0y n THR 57 Ca 0.07 -0.84 0.08 0.00 -2.27 0.00 0.00 64.05 61.09 1b0y n THR 57 Cb 0.44 0.35 0.63 0.00 -2.10 0.00 0.00 70.33 69.64 1b0y n THR 57 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1b0y h ASP 58 N 0.63 0.00 0.09 3.42 3.32 -2.01 -3.23 116.42 118.64 1b0y h ASP 58 Ca -0.10 0.00 -0.31 0.00 0.02 0.00 0.00 57.03 56.64 1b0y h ASP 58 Cb 0.42 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.92 1b0y h ASP 58 CO 0.15 0.11 -2.22 1.21 -1.72 0.00 0.00 179.24 176.78 1b0y n GLU 59 N -4.18 0.68 -4.53 3.56 2.13 -1.26 -4.86 120.64 112.18 1b0y n GLU 59 Ca -0.03 0.01 -0.32 0.00 0.66 0.00 0.00 57.16 57.49 1b0y n GLU 59 Cb 0.19 -1.56 -0.16 0.00 0.27 0.00 0.00 31.44 30.17 1b0y n GLU 59 CO 0.00 0.00 0.00 -1.58 -0.41 0.00 0.00 177.13 175.14 1b0y s TRP 60 N -2.65 2.59 0.20 4.31 0.52 -1.22 -0.78 118.94 121.92 1b0y s TRP 60 Ca -0.09 -1.35 0.02 0.00 0.02 0.00 0.00 56.10 54.70 1b0y s TRP 60 Cb 0.07 -1.78 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 1b0y s TRP 60 CO 0.84 -0.64 0.03 0.15 0.02 0.00 0.00 176.95 177.36 1b0y s LYS 61 N 0.94 1.22 0.78 4.98 -0.14 0.00 -0.35 119.74 127.18 1b0y s LYS 61 Ca -0.04 -1.62 -0.12 0.00 -1.36 0.00 0.00 55.97 52.83 1b0y s LYS 61 Cb -0.15 -0.28 0.06 0.00 -1.68 0.00 0.00 37.83 35.78 1b0y s LYS 61 CO -0.04 -0.18 1.11 0.20 -0.76 0.00 0.00 175.35 175.68 1b0y s GLY 62 N -3.23 1.62 -0.04 -3.33 0.00 0.49 -0.10 107.32 102.73 1b0y s GLY 62 Ca 0.29 -0.34 -0.02 0.00 0.00 0.00 0.00 44.72 44.65 1b0y s GLY 62 CO 0.07 0.09 0.08 0.00 0.00 0.00 0.00 173.10 173.35 1b0y h GLN 64 N 6.92 0.15 -0.00 0.00 4.15 -1.44 -1.63 115.11 123.26 1b0y h GLN 64 Ca -0.39 -0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.02 1b0y h GLN 64 Cb 1.15 -0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.81 1b0y h GLN 64 CO 0.46 0.10 -0.17 1.28 -1.93 0.00 0.00 178.83 178.57 1b0y n LEU 65 N -4.39 0.17 -3.25 -2.39 4.77 -1.26 -4.16 117.00 106.49 1b0y n LEU 65 Ca 0.14 0.33 -0.26 0.00 -0.03 0.00 0.00 56.01 56.19 1b0y n LEU 65 Cb 0.70 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 41.31 1b0y n LEU 65 CO 0.36 0.04 0.02 0.49 -1.33 0.00 0.00 177.39 176.96 1b0y n PHE 66 N -1.49 2.88 -1.66 -1.77 3.72 -0.61 -5.08 117.46 113.45 1b0y n PHE 66 Ca 0.07 -4.00 -0.45 0.00 -0.05 0.00 0.00 57.45 53.01 1b0y n PHE 66 Cb 0.34 -0.50 -0.03 0.00 -0.94 0.00 0.00 39.48 38.35 1b0y n PHE 66 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 1b0y n PRO 67 N 0.61 1.90 -0.99 -1.08 -0.04 -1.25 -1.84 135.00 132.31 1b0y n PRO 67 Ca 0.28 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.42 1b0y n PRO 67 Cb 0.44 -2.30 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1b0y n PRO 67 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1b0y n GLY 68 N 2.01 0.94 3.61 0.55 0.00 -1.26 -4.99 105.19 106.04 1b0y n GLY 68 Ca 0.11 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.86 1b0y n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1b0y s LYS 69 N -0.01 1.95 -0.04 1.61 1.02 -0.77 -4.91 119.74 118.58 1b0y s LYS 69 Ca 0.00 -2.15 0.05 0.00 0.02 0.00 0.00 55.97 53.89 1b0y s LYS 69 Cb 0.00 -1.34 -0.01 0.00 -0.52 0.00 0.00 37.83 35.97 1b0y s LYS 69 CO 0.00 -0.20 -0.19 -0.51 -0.92 0.00 0.00 175.35 173.53 1b0y s LEU 70 N -3.69 1.95 0.47 3.17 1.43 -0.44 -4.35 118.68 117.22 1b0y s LEU 70 Ca 0.27 -0.38 0.06 0.00 -1.03 0.00 0.00 54.13 53.05 1b0y s LEU 70 Cb 0.07 -1.05 0.03 0.00 0.03 0.00 0.00 46.19 45.26 1b0y s LEU 70 CO 0.13 0.17 0.65 0.27 0.23 0.00 0.00 176.35 177.81 1b0y s ILE 71 N -0.02 2.82 -0.12 -0.59 -5.25 0.85 -0.35 121.20 118.54 1b0y s ILE 71 Ca -0.03 -0.91 -0.20 0.00 -0.99 0.00 0.00 60.65 58.52 1b0y s ILE 71 Cb -0.12 -2.90 -0.04 0.00 2.95 0.00 0.00 42.46 42.35 1b0y s ILE 71 CO 0.02 0.00 0.55 0.21 -1.79 0.00 0.00 174.94 173.93 1b0y s ASN 72 N -4.41 6.75 0.59 4.36 3.84 -1.26 -0.82 114.94 123.99 1b0y s ASN 72 Ca 0.57 0.90 0.28 0.00 0.21 0.00 0.00 52.86 54.82 1b0y s ASN 72 Cb -0.10 -2.32 1.62 0.00 -0.55 0.00 0.00 41.25 39.90 1b0y s ASN 72 CO 0.35 -0.07 2.08 1.62 -2.79 0.00 0.00 177.10 178.29 1b0y h VAL 73 N 4.81 0.48 -0.54 -5.21 3.04 -1.29 0.15 116.25 117.70 1b0y h VAL 73 Ca -0.39 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.30 1b0y h VAL 73 Cb 1.18 0.82 0.00 0.00 -2.01 0.00 0.00 31.29 31.27 1b0y h VAL 73 CO 0.76 0.00 0.00 0.59 -1.01 0.00 0.00 177.57 177.91 1b0y n ASN 74 N -3.83 3.45 -2.71 3.17 5.03 -1.26 -1.70 115.26 117.40 1b0y n ASN 74 Ca 0.02 -2.18 -0.08 0.00 0.87 0.00 0.00 54.58 53.22 1b0y n ASN 74 Cb 0.36 -0.45 0.05 0.00 -1.02 0.00 0.00 39.78 38.72 1b0y n ASN 74 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1b0y n GLY 75 N 1.18 0.08 3.56 7.41 0.00 0.04 -0.29 105.19 117.17 1b0y n GLY 75 Ca 0.20 -1.88 -0.14 0.00 0.00 0.00 0.00 46.02 44.19 1b0y n GLY 75 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1b0y s TRP 76 N -1.14 -0.54 0.21 1.61 -0.00 -0.34 -0.46 118.94 118.28 1b0y s TRP 76 Ca 0.21 0.98 -0.05 0.00 -0.00 0.00 0.00 56.10 57.24 1b0y s TRP 76 Cb -0.01 0.41 -0.03 0.00 -0.00 0.00 0.00 33.47 33.85 1b0y s TRP 76 CO 0.14 -0.47 0.24 0.00 -0.00 0.00 0.00 176.95 176.86 1b0y n ALA 78 N -0.28 2.10 0.97 0.00 0.00 0.44 -1.13 120.51 122.61 1b0y n ALA 78 Ca -0.00 -0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.45 1b0y n ALA 78 Cb 0.64 -1.31 0.31 0.00 0.00 0.00 0.00 19.45 19.10 1b0y n ALA 78 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1b0y n SER 79 N -1.16 2.33 -4.55 0.00 7.64 -1.26 -4.99 113.62 111.64 1b0y n SER 79 Ca 0.11 -1.80 -0.52 0.00 1.01 0.00 0.00 58.87 57.67 1b0y n SER 79 Cb 0.11 -0.12 -0.05 0.00 -1.01 0.00 0.00 64.21 63.14 1b0y n SER 79 CO 0.00 0.00 0.00 1.87 -3.01 0.00 0.00 175.04 173.90 1b0y n TRP 80 N 0.77 1.06 -3.83 1.43 -0.00 -0.28 -4.98 117.44 111.62 1b0y n TRP 80 Ca 0.17 0.78 -0.15 0.00 -0.00 0.00 0.00 57.50 58.30 1b0y n TRP 80 Cb 0.45 -2.22 -0.16 0.00 -0.00 0.00 0.00 31.31 29.37 1b0y n TRP 80 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 177.69 178.68 1b0y s THR 81 N -0.02 0.01 0.18 5.87 2.01 -1.26 -4.92 115.64 117.50 1b0y s THR 81 Ca 0.80 0.16 -0.32 0.00 0.31 0.00 0.00 61.69 62.63 1b0y s THR 81 Cb -0.98 -0.12 -0.12 0.00 0.01 0.00 0.00 72.50 71.28 1b0y s THR 81 CO 0.52 0.09 1.73 -0.11 -0.69 0.00 0.00 174.62 176.16 1b0y n LEU 82 N 4.03 3.85 -4.70 4.42 0.00 -1.26 -0.08 117.00 123.27 1b0y n LEU 82 Ca -0.26 1.05 -0.42 0.00 0.00 0.00 0.00 56.01 56.38 1b0y n LEU 82 Cb 0.51 -1.54 -0.03 0.00 0.00 0.00 0.00 43.42 42.36 1b0y n LEU 82 CO 0.23 0.10 1.27 -0.75 0.00 0.00 0.00 177.39 178.23 1b0y s LYS 83 N 1.48 4.22 0.18 1.96 2.47 -0.41 -4.40 119.74 125.24 1b0y s LYS 83 Ca 0.77 2.27 -0.15 0.00 -1.56 0.00 0.00 55.97 57.31 1b0y s LYS 83 Cb -0.53 -3.50 -0.07 0.00 -1.46 0.00 0.00 37.83 32.26 1b0y s LYS 83 CO 0.34 -0.67 0.59 0.00 0.16 0.00 0.00 175.35 175.78 1b0y s ALA 84 N 2.26 3.53 -2.00 3.13 0.00 -1.26 -4.93 121.76 122.49 1b0y s ALA 84 Ca 0.71 -0.08 0.29 0.00 0.00 0.00 0.00 51.96 52.87 1b0y s ALA 84 Cb -0.39 -2.58 1.70 0.00 0.00 0.00 0.00 23.12 21.85 1b0y s ALA 84 CO 0.31 0.43 2.04 0.41 0.00 0.00 0.00 175.76 178.95