#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2oct s ALA 5 N 0.00 0.22 0.32 4.61 0.00 -1.26 -4.87 121.76 120.78 2oct s ALA 5 Ca 0.00 0.20 -0.28 0.00 0.00 0.00 0.00 51.96 51.87 2oct s ALA 5 Cb 0.00 -0.60 -0.13 0.00 0.00 0.00 0.00 23.12 22.39 2oct s ALA 5 CO 0.00 -0.47 1.25 -0.35 0.00 0.00 0.00 175.76 176.19 2oct n PRO 6 N 5.23 1.97 -0.03 0.00 -0.04 -1.25 -4.72 135.00 136.16 2oct n PRO 6 Ca -0.05 0.69 -0.03 0.00 -0.04 0.00 0.00 63.50 64.08 2oct n PRO 6 Cb 0.50 -2.24 0.03 0.00 -0.04 0.00 0.00 33.50 31.75 2oct n PRO 6 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2oct n SER 7 N 0.97 -2.09 -4.87 3.54 3.41 0.52 -4.92 113.62 110.19 2oct n SER 7 Ca 0.06 -0.15 -0.31 0.00 -0.26 0.00 0.00 58.87 58.22 2oct n SER 7 Cb 0.35 -0.10 -0.00 0.00 -0.26 0.00 0.00 64.21 64.20 2oct n SER 7 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2oct s ALA 8 N -2.13 3.14 0.07 7.33 0.00 -1.26 -4.73 121.76 124.17 2oct s ALA 8 Ca 0.07 -0.10 -0.30 0.00 0.00 0.00 0.00 51.96 51.62 2oct s ALA 8 Cb -0.01 -3.01 -0.09 0.00 0.00 0.00 0.00 23.12 20.01 2oct s ALA 8 CO 0.06 -0.55 1.80 0.99 0.00 0.00 0.00 175.76 178.07 2oct s THR 9 N -3.00 2.91 0.03 0.00 2.01 -1.26 -4.71 115.64 111.62 2oct s THR 9 Ca 0.54 0.22 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2oct s THR 9 Cb -0.11 -3.14 -0.04 0.00 0.01 0.00 0.00 72.50 69.22 2oct s THR 9 CO 0.48 -0.01 -0.04 -1.10 -0.69 0.00 0.00 174.62 173.27 2oct s GLN 10 N 3.34 2.58 0.33 4.92 -0.21 0.85 -4.93 119.66 126.54 2oct s GLN 10 Ca 0.80 -0.74 -0.27 0.00 0.02 0.00 0.00 55.36 55.17 2oct s GLN 10 Cb -0.42 -2.54 -0.09 0.00 1.00 0.00 0.00 33.01 30.95 2oct s GLN 10 CO 0.36 0.59 1.13 -1.25 -2.12 0.00 0.00 175.29 174.00 2oct s PRO 11 N -1.72 4.38 0.52 2.91 0.04 -1.26 -0.55 135.00 139.32 2oct s PRO 11 Ca 0.20 1.82 -0.23 0.00 0.04 0.00 0.00 61.00 62.83 2oct s PRO 11 Cb -0.11 -2.94 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 2oct s PRO 11 CO 0.11 -0.02 1.36 0.00 0.04 0.00 0.00 177.00 178.48 2oct n ALA 12 N 0.66 1.62 -4.30 8.56 0.00 -0.56 -4.78 120.51 121.71 2oct n ALA 12 Ca 0.01 0.16 -0.26 0.00 0.00 0.00 0.00 53.44 53.35 2oct n ALA 12 Cb 0.46 -2.35 -0.03 0.00 0.00 0.00 0.00 19.45 17.52 2oct n ALA 12 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2oct n THR 13 N -0.81 0.00 0.11 0.00 -2.24 -1.26 -4.94 114.28 105.14 2oct n THR 13 Ca 0.09 -1.94 0.05 0.00 -2.27 0.00 0.00 64.05 59.98 2oct n THR 13 Cb 0.44 0.19 0.50 0.00 -2.10 0.00 0.00 70.33 69.36 2oct n THR 13 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2oct h ALA 14 N 1.00 1.80 -0.19 6.98 0.00 -1.99 -1.37 119.26 125.49 2oct h ALA 14 Ca -0.33 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.53 2oct h ALA 14 Cb 1.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2oct h ALA 14 CO 0.54 0.17 0.03 1.49 0.00 0.00 0.00 179.25 181.48 2oct h GLU 15 N 0.32 0.32 -1.01 0.00 4.81 -1.99 0.30 114.58 117.33 2oct h GLU 15 Ca 0.09 -0.09 0.22 0.00 -0.13 0.00 0.00 59.36 59.45 2oct h GLU 15 Cb -0.01 -0.04 -0.11 0.00 0.63 0.00 0.00 28.75 29.22 2oct h GLU 15 CO -0.02 0.48 0.61 1.15 -0.73 0.00 0.00 179.01 180.50 2oct h THR 16 N 0.11 0.62 -0.30 0.32 2.02 -1.66 -2.07 112.91 111.96 2oct h THR 16 Ca 0.06 -0.23 -0.15 0.00 0.77 0.00 0.00 66.41 66.86 2oct h THR 16 Cb 0.31 -0.10 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 2oct h THR 16 CO 0.00 0.12 -0.41 -0.61 0.37 0.00 0.00 175.52 174.99 2oct h GLN 17 N 0.67 0.73 -0.81 6.66 5.75 -0.84 -0.33 115.11 126.94 2oct h GLN 17 Ca 0.61 -0.39 0.03 0.00 -0.15 0.00 0.00 58.65 58.75 2oct h GLN 17 Cb 1.07 0.01 -0.05 0.00 1.07 0.00 0.00 27.48 29.59 2oct h GLN 17 CO -0.42 1.01 0.52 1.25 -2.65 0.00 0.00 178.83 178.54 2oct h HIS 18 N 0.60 0.98 -0.48 3.99 2.76 -0.59 0.25 115.15 122.66 2oct h HIS 18 Ca 0.05 0.03 -0.02 0.00 -2.20 0.00 0.00 60.37 58.23 2oct h HIS 18 Cb 0.96 -0.33 -0.02 0.00 1.55 0.00 0.00 27.41 29.57 2oct h HIS 18 CO 0.05 0.58 0.24 0.82 -1.30 0.00 0.00 177.93 178.32 2oct h ILE 19 N 1.03 1.18 -0.78 6.26 2.04 -1.06 -2.56 117.51 123.63 2oct h ILE 19 Ca 0.32 -0.50 -0.05 0.00 1.00 0.00 0.00 64.86 65.63 2oct h ILE 19 Cb -0.02 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 2oct h ILE 19 CO -0.10 0.20 0.30 0.00 0.00 0.00 0.00 178.15 178.55 2oct h ALA 20 N 1.08 1.07 -0.98 1.87 0.00 -0.42 -1.27 119.26 120.61 2oct h ALA 20 Ca 0.17 -0.20 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2oct h ALA 20 Cb 0.10 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.53 2oct h ALA 20 CO -0.02 0.66 0.65 -0.44 0.00 0.00 0.00 179.25 180.09 2oct h ASP 21 N 1.13 1.11 -0.21 0.00 3.32 -0.29 0.59 116.42 122.07 2oct h ASP 21 Ca 0.26 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.28 2oct h ASP 21 Cb 0.22 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.49 2oct h ASP 21 CO -0.02 0.79 0.11 -0.61 -1.72 0.00 0.00 179.24 177.79 2oct h GLN 22 N 1.30 0.30 -0.56 3.56 4.15 -1.10 -2.84 115.11 119.92 2oct h GLN 22 Ca 0.37 -0.04 -0.07 0.00 0.77 0.00 0.00 58.65 59.68 2oct h GLN 22 Cb -0.11 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.50 2oct h GLN 22 CO -0.09 0.29 0.08 0.28 -1.93 0.00 0.00 178.83 177.46 2oct h VAL 23 N 0.23 1.24 -0.69 2.39 2.07 -0.76 -1.71 116.25 119.02 2oct h VAL 23 Ca 0.08 -0.95 0.09 0.00 0.82 0.00 0.00 66.70 66.73 2oct h VAL 23 Cb 0.08 0.73 -0.07 0.00 -1.52 0.00 0.00 31.29 30.51 2oct h VAL 23 CO -0.01 0.35 0.34 -0.09 0.02 0.00 0.00 177.57 178.18 2oct h ARG 24 N 0.85 0.57 -0.52 1.57 2.43 -0.71 0.79 114.38 119.36 2oct h ARG 24 Ca 0.17 -0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.24 2oct h ARG 24 Cb 0.40 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.80 2oct h ARG 24 CO 0.01 0.38 0.06 0.77 -1.51 0.00 0.00 179.97 179.68 2oct h SER 25 N 0.59 0.84 -0.72 -3.80 0.02 -1.19 -1.60 113.55 107.69 2oct h SER 25 Ca 0.34 -0.27 -0.03 0.00 -0.84 0.00 0.00 61.79 60.99 2oct h SER 25 Cb 0.35 -0.22 -0.03 0.00 0.14 0.00 0.00 62.40 62.64 2oct h SER 25 CO -0.26 0.90 0.33 1.56 -1.14 0.00 0.00 176.83 178.21 2oct h GLN 26 N 0.75 1.05 -0.39 3.45 4.20 -0.50 -0.66 115.11 123.01 2oct h GLN 26 Ca 0.15 -0.17 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2oct h GLN 26 Cb 0.43 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2oct h GLN 26 CO 0.01 0.84 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.84 2oct h LEU 27 N 1.02 0.66 -0.15 1.46 3.38 -0.74 0.12 115.31 121.05 2oct h LEU 27 Ca 0.25 -0.19 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 2oct h LEU 27 Cb 0.15 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.72 2oct h LEU 27 CO -0.03 0.80 -0.02 -0.08 0.09 0.00 0.00 178.44 179.20 2oct h GLU 28 N 0.62 0.29 -0.14 1.13 4.81 -0.94 -1.73 114.58 118.62 2oct h GLU 28 Ca 0.11 -0.10 -0.04 0.00 -0.13 0.00 0.00 59.36 59.19 2oct h GLU 28 Cb 0.54 -0.02 -0.00 0.00 0.63 0.00 0.00 28.75 29.90 2oct h GLU 28 CO 0.03 0.55 -0.08 1.49 -0.73 0.00 0.00 179.01 180.27 2oct h GLU 29 N -0.00 0.29 0.00 1.92 4.81 -0.93 -2.78 114.58 117.90 2oct h GLU 29 Ca 0.04 -0.13 -0.16 0.00 -0.13 0.00 0.00 59.36 58.97 2oct h GLU 29 Cb 0.43 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.78 2oct h GLU 29 CO 0.01 0.64 -1.99 1.63 -0.73 0.00 0.00 179.01 178.57 2oct n LYS 30 N -4.65 0.66 -0.03 1.92 5.02 0.01 -4.45 118.16 116.65 2oct n LYS 30 Ca -0.06 -0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.23 2oct n LYS 30 Cb 0.30 -1.59 0.06 0.00 -0.02 0.00 0.00 35.03 33.78 2oct n LYS 30 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2oct n TYR 31 N -2.57 0.00 -4.05 2.13 4.01 -0.71 -5.00 117.16 110.96 2oct n TYR 31 Ca -0.15 -0.69 -0.33 0.00 -0.16 0.00 0.00 57.90 56.57 2oct n TYR 31 Cb 0.83 -0.09 -0.06 0.00 -0.31 0.00 0.00 39.34 39.71 2oct n TYR 31 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2oct n ASN 32 N -0.87 -1.73 -4.63 7.72 2.85 -0.90 -4.94 115.26 112.76 2oct n ASN 32 Ca 0.06 -0.82 -0.39 0.00 -0.11 0.00 0.00 54.58 53.31 2oct n ASN 32 Cb 0.41 -1.53 -0.07 0.00 1.24 0.00 0.00 39.78 39.82 2oct n ASN 32 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2oct s LYS 33 N -6.70 4.10 0.04 1.20 -0.14 -0.82 -4.92 119.74 112.50 2oct s LYS 33 Ca 0.64 0.31 0.08 0.00 -1.36 0.00 0.00 55.97 55.63 2oct s LYS 33 Cb -0.37 -3.62 -0.03 0.00 -1.68 0.00 0.00 37.83 32.13 2oct s LYS 33 CO 0.78 -0.26 -0.20 0.15 -0.76 0.00 0.00 175.35 175.06 2oct s LYS 34 N 2.02 2.01 0.05 1.68 1.02 -1.26 -3.11 119.74 122.15 2oct s LYS 34 Ca 0.21 -1.01 0.02 0.00 0.02 0.00 0.00 55.97 55.22 2oct s LYS 34 Cb -0.15 -2.14 -0.03 0.00 -0.52 0.00 0.00 37.83 34.99 2oct s LYS 34 CO 0.09 0.53 -0.08 -0.06 -0.92 0.00 0.00 175.35 174.91 2oct s PHE 35 N -0.89 0.74 -0.28 3.18 0.08 -1.26 -5.05 117.98 114.49 2oct s PHE 35 Ca 0.14 -0.54 0.26 0.00 0.12 0.00 0.00 56.93 56.91 2oct s PHE 35 Cb -0.10 -0.44 0.63 0.00 -0.57 0.00 0.00 43.02 42.54 2oct s PHE 35 CO 0.04 -0.08 1.72 -1.00 -0.10 0.00 0.00 175.22 175.80 2oct h PRO 36 N 4.32 0.00 -3.57 0.24 0.13 -2.06 -3.46 132.00 127.60 2oct h PRO 36 Ca -0.36 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.71 2oct h PRO 36 Cb 1.20 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2oct h PRO 36 CO 0.43 0.01 -0.15 0.54 -0.23 0.00 0.00 178.00 178.59 2oct s VAL 37 N -3.34 0.06 -0.46 1.56 0.11 -1.26 -5.12 120.40 111.95 2oct s VAL 37 Ca 0.05 -0.98 0.06 0.00 -2.93 0.00 0.00 61.98 58.19 2oct s VAL 37 Cb 0.06 -1.54 0.23 0.00 -1.53 0.00 0.00 36.38 33.60 2oct s VAL 37 CO 0.63 -0.28 0.70 0.33 -3.33 0.00 0.00 175.10 173.15 2oct n PHE 38 N -0.24 -2.40 -3.71 1.54 7.35 -1.26 -5.12 117.46 113.62 2oct n PHE 38 Ca -0.11 -2.32 -0.38 0.00 -0.76 0.00 0.00 57.45 53.88 2oct n PHE 38 Cb 0.63 0.91 -0.12 0.00 0.35 0.00 0.00 39.48 41.25 2oct n PHE 38 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2oct s LYS 39 N 0.17 3.15 0.27 -4.13 3.01 -1.26 -4.76 119.74 116.19 2oct s LYS 39 Ca 0.33 -0.83 -0.30 0.00 -1.01 0.00 0.00 55.97 54.15 2oct s LYS 39 Cb 0.15 -3.48 -0.11 0.00 -1.01 0.00 0.00 37.83 33.38 2oct s LYS 39 CO -0.17 -0.46 1.55 0.00 0.51 0.00 0.00 175.35 176.79 2oct s ALA 40 N 1.54 3.72 -0.13 5.17 0.00 -1.26 -4.92 121.76 125.89 2oct s ALA 40 Ca 0.03 1.49 -0.04 0.00 0.00 0.00 0.00 51.96 53.45 2oct s ALA 40 Cb -0.17 -3.62 -0.07 0.00 0.00 0.00 0.00 23.12 19.26 2oct s ALA 40 CO 0.04 -0.90 -0.15 0.28 0.00 0.00 0.00 175.76 175.03 2oct n VAL 41 N 2.40 0.73 -3.71 0.00 0.31 -1.26 -4.78 118.33 112.02 2oct n VAL 41 Ca 0.08 -0.22 -0.05 0.00 -0.01 0.00 0.00 64.34 64.15 2oct n VAL 41 Cb 0.38 -1.40 -0.01 0.00 -0.91 0.00 0.00 33.84 31.89 2oct n VAL 41 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 2oct s SER 42 N -5.83 -0.22 0.22 4.52 1.04 -1.26 -1.50 113.70 110.67 2oct s SER 42 Ca -0.18 -0.33 -0.14 0.00 0.48 0.00 0.00 55.95 55.78 2oct s SER 42 Cb 0.06 0.48 0.01 0.00 0.10 0.00 0.00 66.02 66.66 2oct s SER 42 CO 0.25 -0.86 0.47 0.72 0.98 0.00 0.00 173.24 174.81 2oct s PHE 43 N -3.27 0.19 0.08 5.02 -0.12 0.29 -4.74 117.98 115.42 2oct s PHE 43 Ca 0.11 -0.55 0.06 0.00 -0.05 0.00 0.00 56.93 56.50 2oct s PHE 43 Cb -0.01 0.24 -0.03 0.00 -0.63 0.00 0.00 43.02 42.59 2oct s PHE 43 CO 0.00 -0.94 -0.16 0.15 -0.05 0.00 0.00 175.22 174.22 2oct s LYS 44 N -3.96 0.93 0.20 1.99 1.02 -1.26 -0.11 119.74 118.55 2oct s LYS 44 Ca 0.17 -1.03 0.08 0.00 0.02 0.00 0.00 55.97 55.21 2oct s LYS 44 Cb -0.00 -1.02 -0.04 0.00 -0.52 0.00 0.00 37.83 36.25 2oct s LYS 44 CO 0.04 0.23 0.00 -1.54 -0.92 0.00 0.00 175.35 173.16 2oct s SER 45 N -1.82 4.71 -0.07 2.83 1.04 -1.26 -4.92 113.70 114.21 2oct s SER 45 Ca 0.01 -0.47 -0.03 0.00 0.48 0.00 0.00 55.95 55.95 2oct s SER 45 Cb -0.10 -0.97 0.04 0.00 0.10 0.00 0.00 66.02 65.09 2oct s SER 45 CO 0.03 0.06 0.12 -1.58 0.98 0.00 0.00 173.24 172.85 2oct s GLN 46 N -3.16 -0.01 0.22 4.02 0.74 -1.26 -0.35 119.66 119.85 2oct s GLN 46 Ca 0.28 0.49 -0.30 0.00 0.05 0.00 0.00 55.36 55.88 2oct s GLN 46 Cb -0.08 -0.37 -0.09 0.00 1.10 0.00 0.00 33.01 33.57 2oct s GLN 46 CO 0.19 -0.32 1.29 0.08 -0.55 0.00 0.00 175.29 175.98 2oct s VAL 47 N 2.24 3.17 -0.10 1.34 1.01 -1.26 -5.01 120.40 121.79 2oct s VAL 47 Ca 0.04 1.00 0.03 0.00 0.00 0.00 0.00 61.98 63.05 2oct s VAL 47 Cb -0.12 -3.64 0.01 0.00 0.00 0.00 0.00 36.38 32.63 2oct s VAL 47 CO -0.05 0.17 -0.20 -0.69 0.00 0.00 0.00 175.10 174.34 2oct s VAL 48 N -0.14 1.78 -0.27 2.92 1.01 -1.26 -3.64 120.40 120.80 2oct s VAL 48 Ca 0.55 -0.84 -0.05 0.00 0.00 0.00 0.00 61.98 61.63 2oct s VAL 48 Cb -0.36 -1.58 0.14 0.00 0.00 0.00 0.00 36.38 34.58 2oct s VAL 48 CO 0.40 0.50 0.54 0.00 0.00 0.00 0.00 175.10 176.54 2oct s ALA 49 N 0.64 -1.74 0.00 5.51 0.00 -1.26 -5.09 121.76 119.82 2oct s ALA 49 Ca -0.13 1.76 0.00 0.00 0.00 0.00 0.00 51.96 53.59 2oct s ALA 49 Cb -0.16 -1.77 0.00 0.00 0.00 0.00 0.00 23.12 21.18 2oct s ALA 49 CO 0.03 -1.07 0.00 0.41 0.00 0.00 0.00 175.76 175.14 2oct n GLY 50 N 5.42 -0.71 3.28 0.00 0.00 -1.26 -0.70 105.19 111.22 2oct n GLY 50 Ca -0.07 -0.66 -0.32 0.00 0.00 0.00 0.00 46.02 44.97 2oct n GLY 50 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2oct s THR 51 N -3.00 2.47 -0.03 2.61 2.01 -0.25 -4.93 115.64 114.52 2oct s THR 51 Ca 0.00 -0.87 -0.21 0.00 0.31 0.00 0.00 61.69 60.92 2oct s THR 51 Cb 0.00 -1.99 -0.05 0.00 0.01 0.00 0.00 72.50 70.47 2oct s THR 51 CO 0.00 0.54 0.62 0.20 -0.69 0.00 0.00 174.62 175.29 2oct s ASN 52 N 0.35 6.96 -0.13 3.53 0.01 -1.26 -0.99 114.94 123.41 2oct s ASN 52 Ca -0.16 1.14 -0.02 0.00 -0.71 0.00 0.00 52.86 53.12 2oct s ASN 52 Cb -0.17 -2.37 -0.03 0.00 0.41 0.00 0.00 41.25 39.09 2oct s ASN 52 CO 0.08 0.03 -0.06 -0.31 -1.51 0.00 0.00 177.10 175.32 2oct s TYR 53 N 0.18 2.97 -0.30 2.20 2.02 0.17 -4.95 117.35 119.64 2oct s TYR 53 Ca 0.33 -0.28 -0.07 0.00 -0.37 0.00 0.00 57.07 56.67 2oct s TYR 53 Cb -0.18 -1.88 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 2oct s TYR 53 CO 0.17 0.02 0.09 -0.06 -1.57 0.00 0.00 175.55 174.20 2oct s PHE 54 N 0.10 3.15 -0.08 2.71 0.08 -1.26 -0.33 117.98 122.36 2oct s PHE 54 Ca -0.02 -0.91 0.03 0.00 0.12 0.00 0.00 56.93 56.15 2oct s PHE 54 Cb -0.14 -2.27 0.01 0.00 -0.57 0.00 0.00 43.02 40.05 2oct s PHE 54 CO 0.03 -0.56 -0.16 0.42 -0.10 0.00 0.00 175.22 174.85 2oct s ILE 55 N 1.52 1.44 -0.20 0.64 1.01 0.15 -4.93 121.20 120.83 2oct s ILE 55 Ca 0.03 -0.66 -0.19 0.00 0.00 0.00 0.00 60.65 59.83 2oct s ILE 55 Cb -0.17 -1.28 -0.03 0.00 0.01 0.00 0.00 42.46 40.98 2oct s ILE 55 CO 0.03 0.42 0.54 -0.75 0.00 0.00 0.00 174.94 175.19 2oct s LYS 56 N 0.57 4.18 -0.10 2.79 2.20 -1.26 -0.06 119.74 128.07 2oct s LYS 56 Ca -0.16 0.45 0.04 0.00 -0.36 0.00 0.00 55.97 55.94 2oct s LYS 56 Cb -0.16 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.59 2oct s LYS 56 CO 0.05 -0.19 -0.22 0.08 -0.36 0.00 0.00 175.35 174.72 2oct s VAL 57 N 1.76 1.89 -0.03 4.02 1.01 -0.34 -5.00 120.40 123.71 2oct s VAL 57 Ca 0.25 -0.92 -0.30 0.00 0.00 0.00 0.00 61.98 61.01 2oct s VAL 57 Cb -0.16 -1.65 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2oct s VAL 57 CO 0.10 0.52 1.00 -2.28 0.00 0.00 0.00 175.10 174.44 2oct s HIS 58 N 0.46 3.59 -0.10 5.22 2.46 -1.26 -1.42 115.29 124.24 2oct s HIS 58 Ca -0.17 1.64 0.15 0.00 0.47 0.00 0.00 55.06 57.14 2oct s HIS 58 Cb -0.17 -3.16 0.22 0.00 -0.13 0.00 0.00 32.58 29.34 2oct s HIS 58 CO 0.07 -0.17 1.11 1.33 -2.47 0.00 0.00 174.74 174.61 2oct n VAL 59 N 4.14 1.61 0.00 0.89 0.24 0.63 -4.96 118.33 120.88 2oct n VAL 59 Ca 0.07 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.47 2oct n VAL 59 Cb 0.50 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 32.81 2oct n VAL 59 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2oct n GLY 60 N -1.18 3.38 7.00 7.63 0.00 -1.19 -4.88 105.19 115.95 2oct n GLY 60 Ca 0.12 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.52 2oct n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2oct n ASP 61 N 0.00 0.00 -0.90 1.61 8.00 -1.26 -0.28 116.55 123.72 2oct n ASP 61 Ca 0.00 0.00 0.10 0.00 0.71 0.00 0.00 54.79 55.60 2oct n ASP 61 Cb 0.00 0.00 0.27 0.00 -0.02 0.00 0.00 41.12 41.37 2oct n ASP 61 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 2oct n GLU 62 N 14.00 2.16 -3.54 -1.24 2.13 -1.26 -4.95 120.64 127.94 2oct n GLU 62 Ca 0.00 -1.77 -0.36 0.00 0.66 0.00 0.00 57.16 55.68 2oct n GLU 62 Cb 0.00 -1.44 -0.07 0.00 0.27 0.00 0.00 31.44 30.20 2oct n GLU 62 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 2oct s ASP 63 N -1.34 6.43 0.13 4.31 1.01 0.61 -4.45 116.67 123.37 2oct s ASP 63 Ca 0.35 0.51 0.02 0.00 0.71 0.00 0.00 52.55 54.14 2oct s ASP 63 Cb 0.19 -2.18 -0.04 0.00 1.01 0.00 0.00 42.92 41.90 2oct s ASP 63 CO 0.27 0.10 -0.04 -0.36 0.21 0.00 0.00 175.17 175.35 2oct s PHE 64 N 0.44 1.01 0.12 4.23 0.40 -0.85 -0.27 117.98 123.07 2oct s PHE 64 Ca 0.16 -0.95 0.05 0.00 -0.60 0.00 0.00 56.93 55.59 2oct s PHE 64 Cb -0.13 -0.58 -0.04 0.00 0.51 0.00 0.00 43.02 42.78 2oct s PHE 64 CO 0.04 -0.17 -0.11 0.14 0.70 0.00 0.00 175.22 175.82 2oct s VAL 65 N -3.63 1.13 -0.10 -0.44 -7.23 -0.51 -1.23 120.40 108.39 2oct s VAL 65 Ca 0.16 -1.85 0.01 0.00 -1.81 0.00 0.00 61.98 58.50 2oct s VAL 65 Cb 0.05 -1.62 -0.02 0.00 0.56 0.00 0.00 36.38 35.36 2oct s VAL 65 CO -0.01 -0.61 -0.13 -1.00 -0.31 0.00 0.00 175.10 173.03 2oct s HIS 66 N -2.78 2.79 0.02 2.82 3.76 -0.70 -1.19 115.29 120.00 2oct s HIS 66 Ca 0.11 -0.40 0.03 0.00 -0.15 0.00 0.00 55.06 54.65 2oct s HIS 66 Cb -0.01 -1.76 -0.03 0.00 1.11 0.00 0.00 32.58 31.89 2oct s HIS 66 CO 0.01 -0.02 -0.05 -0.51 -0.85 0.00 0.00 174.74 173.32 2oct s LEU 67 N -0.13 3.23 -0.27 0.89 1.43 0.92 -0.94 118.68 123.82 2oct s LEU 67 Ca -0.01 -0.14 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2oct s LEU 67 Cb -0.14 -1.87 0.03 0.00 0.03 0.00 0.00 46.19 44.24 2oct s LEU 67 CO 0.03 0.27 -0.03 -0.60 0.23 0.00 0.00 176.35 176.25 2oct s ARG 68 N -1.56 2.78 -0.07 1.70 3.52 -0.78 -0.67 118.95 123.87 2oct s ARG 68 Ca 0.18 -1.03 0.04 0.00 -0.13 0.00 0.00 55.73 54.80 2oct s ARG 68 Cb -0.11 -3.08 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 2oct s ARG 68 CO 0.09 -0.46 -0.18 0.08 -0.81 0.00 0.00 175.30 174.03 2oct s VAL 69 N 1.33 1.55 -0.16 7.11 1.01 0.56 -0.75 120.40 131.05 2oct s VAL 69 Ca -0.01 -0.75 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 2oct s VAL 69 Cb -0.17 -1.35 -0.04 0.00 0.00 0.00 0.00 36.38 34.81 2oct s VAL 69 CO -0.03 0.45 0.07 0.12 0.00 0.00 0.00 175.10 175.70 2oct s PHE 70 N 0.29 3.29 -0.26 5.22 2.19 -0.12 0.46 117.98 129.05 2oct s PHE 70 Ca -0.11 0.15 0.00 0.00 0.33 0.00 0.00 56.93 57.31 2oct s PHE 70 Cb -0.15 -2.03 0.05 0.00 -1.31 0.00 0.00 43.02 39.58 2oct s PHE 70 CO 0.05 0.27 -0.08 -1.14 1.83 0.00 0.00 175.22 176.15 2oct s GLN 71 N 0.03 2.48 0.57 10.12 0.74 -0.16 -0.98 119.66 132.47 2oct s GLN 71 Ca 0.06 -1.20 -0.16 0.00 0.05 0.00 0.00 55.36 54.10 2oct s GLN 71 Cb -0.12 -2.97 -0.05 0.00 1.10 0.00 0.00 33.01 30.98 2oct s GLN 71 CO 0.01 -0.52 1.05 0.45 -0.55 0.00 0.00 175.29 175.72 2oct s SER 72 N 1.21 5.95 0.96 6.67 0.15 -1.26 -1.09 113.70 126.28 2oct s SER 72 Ca -0.05 1.79 -0.11 0.00 0.70 0.00 0.00 55.95 58.28 2oct s SER 72 Cb -0.19 -2.53 0.15 0.00 -1.71 0.00 0.00 66.02 61.75 2oct s SER 72 CO -0.04 -1.05 1.03 0.18 1.20 0.00 0.00 173.24 174.55 2oct n LEU 73 N -1.89 2.23 -4.71 3.45 4.77 0.12 -4.63 117.00 116.34 2oct n LEU 73 Ca 0.08 0.33 -0.30 0.00 -0.03 0.00 0.00 56.01 56.09 2oct n LEU 73 Cb 0.53 -1.41 0.23 0.00 -2.33 0.00 0.00 43.42 40.44 2oct n LEU 73 CO 0.47 -2.49 0.72 -2.16 -1.33 0.00 0.00 177.39 172.59 2oct s PRO 74 N -4.47 -0.70 0.51 3.23 0.04 -1.26 -4.88 135.00 127.47 2oct s PRO 74 Ca 0.66 -0.25 0.21 0.00 0.04 0.00 0.00 61.00 61.66 2oct s PRO 74 Cb -0.23 -1.67 1.36 0.00 0.04 0.00 0.00 34.50 34.00 2oct s PRO 74 CO 0.60 -3.33 2.11 0.45 0.04 0.00 0.00 177.00 176.87 2oct h HIS 75 N -2.31 0.00 -0.10 0.56 3.86 -2.00 -1.51 115.15 113.65 2oct h HIS 75 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 2oct h HIS 75 Cb 1.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.74 2oct h HIS 75 CO -2.00 0.08 0.00 -0.85 0.86 0.00 0.00 177.93 176.02 2oct n GLU 76 N -4.11 1.73 -2.23 2.45 0.00 -1.26 -4.86 120.64 112.36 2oct n GLU 76 Ca -0.03 -1.09 -0.42 0.00 0.00 0.00 0.00 57.16 55.63 2oct n GLU 76 Cb 0.17 -1.44 -0.03 0.00 0.00 0.00 0.00 31.44 30.14 2oct n GLU 76 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.13 178.34 2oct s ASN 77 N -1.76 6.88 0.00 -1.84 3.04 -0.57 -4.91 114.94 115.78 2oct s ASN 77 Ca 0.35 2.18 0.07 0.00 0.04 0.00 0.00 52.86 55.50 2oct s ASN 77 Cb 0.19 -2.57 0.10 0.00 -1.54 0.00 0.00 41.25 37.43 2oct s ASN 77 CO 0.30 -0.65 0.88 0.29 -3.04 0.00 0.00 177.10 174.87 2oct n LYS 78 N 4.56 1.06 -2.72 0.43 4.76 -1.26 -4.88 118.16 120.11 2oct n LYS 78 Ca 0.12 -1.26 -0.39 0.00 -2.87 0.00 0.00 58.31 53.91 2oct n LYS 78 Cb 0.44 -1.14 -0.06 0.00 -1.84 0.00 0.00 35.03 32.42 2oct n LYS 78 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2oct s SER 79 N -0.73 7.46 0.12 4.39 1.04 -1.26 -5.04 113.70 119.68 2oct s SER 79 Ca 0.10 1.95 0.05 0.00 0.48 0.00 0.00 55.95 58.54 2oct s SER 79 Cb 0.06 -2.60 -0.04 0.00 0.10 0.00 0.00 66.02 63.54 2oct s SER 79 CO 0.09 0.02 -0.13 -0.76 0.98 0.00 0.00 173.24 173.44 2oct s LEU 80 N -1.56 2.42 -0.17 2.42 1.43 -1.26 -4.30 118.68 117.66 2oct s LEU 80 Ca 0.45 -0.84 0.01 0.00 -1.03 0.00 0.00 54.13 52.73 2oct s LEU 80 Cb -0.24 -0.48 0.02 0.00 0.03 0.00 0.00 46.19 45.52 2oct s LEU 80 CO 0.30 -0.19 -0.20 -0.89 0.23 0.00 0.00 176.35 175.60 2oct s THR 81 N -2.36 2.04 -0.52 5.49 2.01 -0.15 -4.98 115.64 117.16 2oct s THR 81 Ca 0.09 -0.94 -0.28 0.00 0.31 0.00 0.00 61.69 60.88 2oct s THR 81 Cb -0.04 -1.83 -0.00 0.00 0.01 0.00 0.00 72.50 70.64 2oct s THR 81 CO 0.02 0.54 1.62 -0.22 -0.69 0.00 0.00 174.62 175.89 2oct s LEU 82 N 1.17 3.40 -0.00 4.42 2.96 -1.26 -0.94 118.68 128.42 2oct s LEU 82 Ca 0.02 0.53 -0.01 0.00 -0.22 0.00 0.00 54.13 54.45 2oct s LEU 82 Cb -0.14 -3.01 -0.27 0.00 0.50 0.00 0.00 46.19 43.27 2oct s LEU 82 CO -0.10 -1.89 0.83 0.28 -1.32 0.00 0.00 176.35 174.15 2oct h SER 83 N 12.55 0.32 -5.26 3.68 0.02 -1.31 -3.49 113.55 120.06 2oct h SER 83 Ca -0.28 -0.47 0.09 0.00 -0.84 0.00 0.00 61.79 60.29 2oct h SER 83 Cb 1.13 -0.10 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2oct h SER 83 CO 1.16 1.40 0.47 0.21 -1.14 0.00 0.00 176.83 178.92 2oct s ASN 84 N -6.86 0.02 0.11 3.07 3.84 -1.12 -5.01 114.94 108.99 2oct s ASN 84 Ca -0.09 -0.89 -0.25 0.00 0.21 0.00 0.00 52.86 51.84 2oct s ASN 84 Cb 0.07 0.64 0.08 0.00 -0.55 0.00 0.00 41.25 41.49 2oct s ASN 84 CO 0.84 -1.28 0.71 -0.72 -2.79 0.00 0.00 177.10 173.86 2oct s TYR 85 N -2.10 -0.45 -0.09 0.43 1.13 -1.26 -1.87 117.35 113.15 2oct s TYR 85 Ca 0.20 0.25 0.05 0.00 -1.41 0.00 0.00 57.07 56.16 2oct s TYR 85 Cb -0.04 0.56 -0.00 0.00 -1.10 0.00 0.00 41.96 41.38 2oct s TYR 85 CO 0.08 -0.76 -0.24 -0.65 -2.51 0.00 0.00 175.55 171.47 2oct s GLN 86 N -3.53 2.84 0.66 -3.49 -0.21 -0.11 -4.98 119.66 110.83 2oct s GLN 86 Ca 0.03 -0.87 -0.11 0.00 0.02 0.00 0.00 55.36 54.43 2oct s GLN 86 Cb -0.01 -2.22 -0.02 0.00 1.00 0.00 0.00 33.01 31.76 2oct s GLN 86 CO -0.10 0.24 1.06 0.95 -2.12 0.00 0.00 175.29 175.31 2oct s THR 87 N 0.19 4.15 -1.49 -0.19 -4.23 -1.26 -1.72 115.64 111.08 2oct s THR 87 Ca -0.14 0.69 -0.03 0.00 -1.18 0.00 0.00 61.69 61.03 2oct s THR 87 Cb -0.17 -3.69 0.03 0.00 1.34 0.00 0.00 72.50 70.01 2oct s THR 87 CO 0.07 -0.91 0.38 0.59 -0.54 0.00 0.00 174.62 174.21 2oct n ASN 88 N -2.86 -0.46 -4.91 3.99 5.03 -1.25 -4.92 115.26 109.87 2oct n ASN 88 Ca 0.06 -1.08 -0.27 0.00 0.87 0.00 0.00 54.58 54.17 2oct n ASN 88 Cb 0.55 -2.64 -0.01 0.00 -1.02 0.00 0.00 39.78 36.67 2oct n ASN 88 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2oct s LYS 89 N -6.82 3.54 0.37 3.52 -0.14 -0.37 -4.95 119.74 114.90 2oct s LYS 89 Ca 0.12 0.11 0.08 0.00 -1.36 0.00 0.00 55.97 54.92 2oct s LYS 89 Cb -0.07 -2.44 -0.05 0.00 -1.68 0.00 0.00 37.83 33.60 2oct s LYS 89 CO 0.92 -0.12 0.13 0.00 -0.76 0.00 0.00 175.35 175.52 2oct s ALA 90 N -2.63 3.48 0.20 5.17 0.00 -1.26 -2.00 121.76 124.71 2oct s ALA 90 Ca 0.46 -1.96 -0.12 0.00 0.00 0.00 0.00 51.96 50.35 2oct s ALA 90 Cb -0.10 -0.54 0.12 0.00 0.00 0.00 0.00 23.12 22.60 2oct s ALA 90 CO 0.42 -0.04 1.86 -0.22 0.00 0.00 0.00 175.76 177.79 2oct h LYS 91 N 1.55 0.88 -0.40 0.00 3.64 -1.95 -2.69 116.57 117.58 2oct h LYS 91 Ca -0.43 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 58.90 2oct h LYS 91 Cb 1.25 -0.20 0.00 0.00 -0.41 0.00 0.00 32.23 32.87 2oct h LYS 91 CO 0.66 0.58 0.00 0.72 -2.27 0.00 0.00 179.45 179.14 2oct n HIS 92 N -4.62 0.53 -1.67 1.91 8.25 -1.26 -4.92 115.22 113.44 2oct n HIS 92 Ca 0.06 -0.26 -0.42 0.00 -0.26 0.00 0.00 57.72 56.83 2oct n HIS 92 Cb 0.02 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.13 2oct n HIS 92 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2oct n ASP 93 N 1.09 2.26 -4.77 0.41 8.00 -1.02 -4.95 116.55 117.58 2oct n ASP 93 Ca 0.18 1.16 -0.39 0.00 0.71 0.00 0.00 54.79 56.46 2oct n ASP 93 Cb 0.49 -1.43 0.00 0.00 -0.02 0.00 0.00 41.12 40.16 2oct n ASP 93 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2oct s GLU 94 N -1.90 3.83 -1.22 -1.24 2.56 -1.26 -4.95 118.70 114.52 2oct s GLU 94 Ca 0.58 2.10 -0.21 0.00 0.00 0.00 0.00 54.97 57.44 2oct s GLU 94 Cb -0.58 -2.63 -0.01 0.00 2.00 0.00 0.00 34.13 32.91 2oct s GLU 94 CO 0.60 -0.59 1.82 -0.51 -0.56 0.00 0.00 175.26 176.03 2oct s LEU 95 N -2.67 3.43 0.19 2.70 1.43 -1.26 -5.00 118.68 117.50 2oct s LEU 95 Ca 0.60 -1.97 -0.12 0.00 -1.03 0.00 0.00 54.13 51.61 2oct s LEU 95 Cb -0.37 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.20 2oct s LEU 95 CO 0.46 -2.14 0.55 0.42 0.23 0.00 0.00 176.35 175.87 2oct s THR 96 N 7.66 4.89 0.47 5.49 -4.23 -1.26 -5.02 115.64 123.63 2oct s THR 96 Ca 0.61 0.67 -0.22 0.00 -1.18 0.00 0.00 61.69 61.57 2oct s THR 96 Cb 0.01 -3.68 -0.10 0.00 1.34 0.00 0.00 72.50 70.08 2oct s THR 96 CO 0.09 0.10 0.91 0.00 -0.54 0.00 0.00 174.62 175.18 2oct n TYR 97 N 0.37 0.78 -1.86 3.99 9.36 -1.26 -5.12 117.16 123.42 2oct n TYR 97 Ca -0.03 0.53 0.00 0.00 3.32 0.00 0.00 57.90 61.72 2oct n TYR 97 Cb 0.52 -2.16 0.00 0.00 -0.63 0.00 0.00 39.34 37.07 2oct n TYR 97 CO 0.00 0.00 0.00 1.97 0.22 0.00 0.00 176.86 179.05