#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup s SER 2 N 0.00 6.46 -0.21 1.61 0.15 -1.26 -4.87 113.70 115.58 2cup s SER 2 Ca 0.00 0.48 -0.18 0.00 0.70 0.00 0.00 55.95 56.95 2cup s SER 2 Cb 0.00 -2.55 -0.15 0.00 -1.71 0.00 0.00 66.02 61.62 2cup s SER 2 CO 0.00 -1.40 0.01 -1.20 1.20 0.00 0.00 173.24 171.85 2cup n SER 3 N 8.43 1.88 0.00 5.45 7.64 -1.26 -5.04 113.62 130.72 2cup n SER 3 Ca 0.13 0.43 0.00 0.00 1.01 0.00 0.00 58.87 60.44 2cup n SER 3 Cb 0.49 -0.91 0.00 0.00 -1.01 0.00 0.00 64.21 62.78 2cup n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 4 N 1.42 0.50 2.62 0.23 0.00 -1.26 -5.07 105.19 103.63 2cup n GLY 4 Ca -0.32 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.62 2cup n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2cup n SER 5 N 0.00 2.46 -4.73 1.61 2.88 -1.26 -5.08 113.62 109.50 2cup n SER 5 Ca 0.00 -2.57 -0.39 0.00 -1.33 0.00 0.00 58.87 54.57 2cup n SER 5 Cb 0.00 -0.45 -0.05 0.00 -0.75 0.00 0.00 64.21 62.96 2cup n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2cup s SER 6 N -3.67 6.97 0.20 -3.46 0.01 -1.26 -5.04 113.70 107.45 2cup s SER 6 Ca 0.33 1.16 -0.23 0.00 1.31 0.00 0.00 55.95 58.52 2cup s SER 6 Cb 0.36 -2.39 0.06 0.00 0.21 0.00 0.00 66.02 64.25 2cup s SER 6 CO -0.02 -0.06 0.92 -0.83 0.41 0.00 0.00 173.24 173.66 2cup s GLY 7 N 0.56 -0.11 0.15 3.44 0.00 -1.26 -3.65 107.32 106.44 2cup s GLY 7 Ca 0.35 -0.09 -0.16 0.00 0.00 0.00 0.00 44.72 44.83 2cup s GLY 7 CO 0.17 0.30 0.58 0.00 0.00 0.00 0.00 173.10 174.15 2cup n VAL 9 N 0.89 0.14 -0.06 0.00 0.24 -1.19 -2.31 118.33 116.05 2cup n VAL 9 Ca -0.05 -0.50 -0.10 0.00 -2.04 0.00 0.00 64.34 61.65 2cup n VAL 9 Cb 0.52 -0.06 -0.09 0.00 -1.47 0.00 0.00 33.84 32.73 2cup n VAL 9 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 2cup h GLU 10 N 0.00 -0.01 0.00 7.34 4.81 -1.94 -3.36 114.58 121.42 2cup h GLU 10 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cup h GLU 10 Cb 0.99 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.37 2cup h GLU 10 CO 0.00 0.71 -0.83 0.00 -0.73 0.00 0.00 179.01 178.16 2cup n ARG 12 N -1.55 -1.57 -4.17 0.00 5.12 -0.98 -4.99 116.66 108.53 2cup n ARG 12 Ca 0.04 0.96 -0.27 0.00 -1.93 0.00 0.00 57.85 56.66 2cup n ARG 12 Cb 0.34 -5.55 -0.07 0.00 -1.16 0.00 0.00 32.46 26.02 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2cup s LYS 13 N -4.94 2.52 0.34 5.56 1.02 -1.23 -4.85 119.74 118.16 2cup s LYS 13 Ca 0.00 -1.03 -0.28 0.00 0.02 0.00 0.00 55.97 54.68 2cup s LYS 13 Cb 0.00 -2.43 -0.10 0.00 -0.52 0.00 0.00 37.83 34.78 2cup s LYS 13 CO 0.00 0.47 1.22 -1.25 -0.92 0.00 0.00 175.35 174.87 2cup s PRO 14 N -2.91 4.34 -0.10 -1.68 0.04 -1.26 -0.05 135.00 133.38 2cup s PRO 14 Ca 0.28 2.01 -0.02 0.00 0.04 0.00 0.00 61.00 63.31 2cup s PRO 14 Cb -0.10 -2.99 -0.03 0.00 0.04 0.00 0.00 34.50 31.42 2cup s PRO 14 CO 0.19 -0.12 -0.02 0.42 0.04 0.00 0.00 177.00 177.51 2cup s ILE 15 N -1.22 4.08 0.35 0.56 1.01 -1.24 -4.83 121.20 119.91 2cup s ILE 15 Ca 0.50 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.82 2cup s ILE 15 Cb -0.35 -2.72 -0.04 0.00 0.01 0.00 0.00 42.46 39.36 2cup s ILE 15 CO 0.46 0.57 0.57 -0.83 0.00 0.00 0.00 174.94 175.71 2cup s GLY 16 N -0.52 1.44 0.13 6.18 0.00 -1.26 -4.82 107.32 108.46 2cup s GLY 16 Ca 0.09 -0.82 -0.17 0.00 0.00 0.00 0.00 44.72 43.82 2cup s GLY 16 CO 0.02 -0.74 1.69 0.00 0.00 0.00 0.00 173.10 174.07 2cup h ALA 17 N 0.87 0.45 -0.79 3.20 0.00 -2.01 -2.68 119.26 118.31 2cup h ALA 17 Ca -0.49 -0.11 0.07 0.00 0.00 0.00 0.00 54.91 54.37 2cup h ALA 17 Cb 1.21 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.81 2cup h ALA 17 CO 0.62 0.03 0.52 0.22 0.00 0.00 0.00 179.25 180.64 2cup h ASP 18 N 0.42 0.75 -3.75 0.00 3.58 -2.06 -3.42 116.42 111.94 2cup h ASP 18 Ca 0.12 0.00 -0.52 0.00 0.42 0.00 0.00 57.03 57.06 2cup h ASP 18 Cb 0.15 -0.16 0.04 0.00 1.72 0.00 0.00 39.33 41.08 2cup h ASP 18 CO -0.01 0.48 0.58 -0.44 -2.88 0.00 0.00 179.24 176.96 2cup s SER 19 N -6.14 6.99 -0.64 2.28 0.01 -1.01 -4.95 113.70 110.24 2cup s SER 19 Ca -0.10 2.46 -0.27 0.00 1.31 0.00 0.00 55.95 59.35 2cup s SER 19 Cb 0.20 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.81 2cup s SER 19 CO 0.78 -0.38 1.35 -0.54 0.41 0.00 0.00 173.24 174.86 2cup s LYS 20 N -1.31 3.24 0.07 12.44 3.01 -1.26 -4.78 119.74 131.16 2cup s LYS 20 Ca 0.49 0.14 0.00 0.00 -1.01 0.00 0.00 55.97 55.59 2cup s LYS 20 Cb -0.36 -4.15 -0.04 0.00 -1.01 0.00 0.00 37.83 32.27 2cup s LYS 20 CO 0.45 -2.04 0.22 -1.83 0.51 0.00 0.00 175.35 172.67 2cup s GLU 21 N 5.62 3.44 -0.40 1.68 -1.05 -1.26 -3.40 118.70 123.33 2cup s GLU 21 Ca 0.44 -0.45 -0.08 0.00 -0.15 0.00 0.00 54.97 54.73 2cup s GLU 21 Cb -0.09 -3.03 0.07 0.00 -0.44 0.00 0.00 34.13 30.64 2cup s GLU 21 CO 0.21 0.60 0.23 0.08 0.95 0.00 0.00 175.26 177.32 2cup s VAL 22 N -1.54 4.11 -0.35 1.83 1.01 -0.74 -4.94 120.40 119.77 2cup s VAL 22 Ca 0.35 -1.37 -0.22 0.00 0.00 0.00 0.00 61.98 60.74 2cup s VAL 22 Cb -0.13 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.77 2cup s VAL 22 CO 0.28 -0.45 0.72 -2.28 0.00 0.00 0.00 175.10 173.38 2cup s HIS 23 N 1.41 3.14 -0.18 5.22 2.46 -1.26 -2.29 115.29 123.79 2cup s HIS 23 Ca 0.02 0.50 -0.13 0.00 0.47 0.00 0.00 55.06 55.93 2cup s HIS 23 Cb -0.22 -3.27 0.05 0.00 -0.13 0.00 0.00 32.58 29.01 2cup s HIS 23 CO 0.02 -0.67 0.45 -0.47 -2.47 0.00 0.00 174.74 171.60 2cup s TYR 24 N 2.92 -0.59 -1.39 3.88 5.04 -0.94 -4.92 117.35 121.35 2cup s TYR 24 Ca 0.29 1.32 -0.07 0.00 -2.44 0.00 0.00 57.07 56.17 2cup s TYR 24 Cb -0.14 0.25 0.03 0.00 0.35 0.00 0.00 41.96 42.46 2cup s TYR 24 CO 0.15 -0.31 0.95 1.63 -1.34 0.00 0.00 175.55 176.63 2cup n LYS 25 N 3.62 -6.01 -2.79 4.97 5.02 -1.26 -1.09 118.16 120.62 2cup n LYS 25 Ca -0.19 0.68 -0.21 0.00 -2.02 0.00 0.00 58.31 56.58 2cup n LYS 25 Cb 0.56 -5.53 0.01 0.00 -0.02 0.00 0.00 35.03 30.06 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2cup n ASN 26 N -2.97 -5.69 -3.79 4.39 3.02 -1.26 -4.97 115.26 103.98 2cup n ASN 26 Ca -0.10 -0.17 -0.25 0.00 -0.03 0.00 0.00 54.58 54.03 2cup n ASN 26 Cb 0.59 -4.67 -0.07 0.00 -0.61 0.00 0.00 39.78 35.03 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2cup n ARG 27 N -3.57 0.55 -3.67 3.52 5.12 -0.25 -5.16 116.66 113.21 2cup n ARG 27 Ca -0.15 -3.45 -0.08 0.00 -1.93 0.00 0.00 57.85 52.24 2cup n ARG 27 Cb 0.64 2.00 -0.09 0.00 -1.16 0.00 0.00 32.46 33.85 2cup n ARG 27 CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2cup s PHE 28 N -3.13 -0.87 0.04 -1.55 0.08 -1.25 -2.21 117.98 109.10 2cup s PHE 28 Ca 0.23 1.68 0.08 0.00 0.12 0.00 0.00 56.93 59.04 2cup s PHE 28 Cb 0.01 0.43 -0.03 0.00 -0.57 0.00 0.00 43.02 42.86 2cup s PHE 28 CO 0.16 -0.47 -0.23 -1.58 -0.10 0.00 0.00 175.22 173.01 2cup s TRP 29 N 2.10 1.98 0.85 0.36 0.51 -0.97 -3.14 118.94 120.64 2cup s TRP 29 Ca -0.06 -0.39 -0.10 0.00 -2.12 0.00 0.00 56.10 53.43 2cup s TRP 29 Cb -0.10 -1.19 0.10 0.00 -0.81 0.00 0.00 33.47 31.48 2cup s TRP 29 CO -0.15 0.09 1.12 -1.01 -0.51 0.00 0.00 176.95 176.49 2cup s HIS 30 N -0.77 2.08 -1.72 -1.98 3.76 -1.26 -1.79 115.29 113.60 2cup s HIS 30 Ca 0.09 1.67 0.08 0.00 -0.15 0.00 0.00 55.06 56.76 2cup s HIS 30 Cb -0.09 -3.20 0.47 0.00 1.11 0.00 0.00 32.58 30.87 2cup s HIS 30 CO 0.02 -2.33 1.05 -3.47 -0.85 0.00 0.00 174.74 169.16 2cup n ASP 31 N -3.90 0.00 0.00 1.40 2.03 -1.22 -1.62 116.55 113.25 2cup n ASP 31 Ca 0.10 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.36 2cup n ASP 31 Cb 0.53 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 2cup n ASP 31 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2cup n THR 32 N -1.14 0.00 -0.08 5.18 -2.24 -1.26 -4.77 114.28 109.97 2cup n THR 32 Ca 0.05 -0.19 -0.20 0.00 -2.27 0.00 0.00 64.05 61.44 2cup n THR 32 Cb 0.05 0.68 -0.12 0.00 -2.10 0.00 0.00 70.33 68.84 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cup n PHE 34 N -4.39 1.67 -3.92 0.00 7.35 -0.75 -4.88 117.46 112.54 2cup n PHE 34 Ca -0.27 0.09 -0.09 0.00 -0.76 0.00 0.00 57.45 56.42 2cup n PHE 34 Cb 0.67 -2.62 -0.02 0.00 0.35 0.00 0.00 39.48 37.86 2cup n PHE 34 CO 0.00 0.00 0.00 -0.98 -0.76 0.00 0.00 176.76 175.02 2cup s ARG 35 N 6.78 1.87 0.99 -4.13 1.70 -1.26 -3.46 118.95 121.44 2cup s ARG 35 Ca 1.05 -1.32 -0.12 0.00 -0.47 0.00 0.00 55.73 54.87 2cup s ARG 35 Cb -0.54 0.55 0.18 0.00 -0.57 0.00 0.00 34.95 34.57 2cup s ARG 35 CO 0.39 -0.83 1.10 0.00 -1.08 0.00 0.00 175.30 174.88 2cup n ALA 37 N -4.13 2.81 -0.13 0.00 0.00 -1.01 -3.46 120.51 114.59 2cup n ALA 37 Ca 0.05 -0.27 -0.28 0.00 0.00 0.00 0.00 53.44 52.95 2cup n ALA 37 Cb 0.57 -0.36 -0.10 0.00 0.00 0.00 0.00 19.45 19.55 2cup n ALA 37 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2cup n LYS 38 N -1.59 0.59 -0.00 0.00 4.81 -1.26 -4.60 118.16 116.11 2cup n LYS 38 Ca -0.00 0.33 0.08 0.00 -0.87 0.00 0.00 58.31 57.85 2cup n LYS 38 Cb 0.22 -1.55 -0.10 0.00 0.02 0.00 0.00 35.03 33.62 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2cup n LEU 40 N -1.48 -4.55 -4.35 0.00 7.99 -1.22 -4.95 117.00 108.44 2cup n LEU 40 Ca 0.03 -0.67 -0.33 0.00 -0.01 0.00 0.00 56.01 55.03 2cup n LEU 40 Cb 0.29 -3.12 -0.15 0.00 -0.11 0.00 0.00 43.42 40.33 2cup n LEU 40 CO 0.36 0.28 -0.48 -2.28 -1.51 0.00 0.00 177.39 173.76 2cup s HIS 41 N -3.39 2.69 -0.14 -1.77 2.46 -1.26 -4.65 115.29 109.22 2cup s HIS 41 Ca 0.18 -0.61 -0.29 0.00 0.47 0.00 0.00 55.06 54.80 2cup s HIS 41 Cb -0.03 -1.74 -0.03 0.00 -0.13 0.00 0.00 32.58 30.65 2cup s HIS 41 CO 0.74 -0.16 1.56 -1.25 -2.47 0.00 0.00 174.74 173.16 2cup s PRO 42 N 0.04 4.04 -0.29 2.88 0.04 -1.26 0.28 135.00 140.73 2cup s PRO 42 Ca -0.06 1.86 0.06 0.00 0.04 0.00 0.00 61.00 62.90 2cup s PRO 42 Cb -0.15 -3.96 0.55 0.00 0.04 0.00 0.00 34.50 30.99 2cup s PRO 42 CO 0.05 -1.00 1.61 1.28 0.04 0.00 0.00 177.00 178.99 2cup n LEU 43 N 7.55 5.43 -0.20 -3.56 7.99 -1.22 -4.48 117.00 128.49 2cup n LEU 43 Ca 0.17 -2.84 -0.05 0.00 -0.01 0.00 0.00 56.01 53.28 2cup n LEU 43 Cb 0.44 -0.72 0.05 0.00 -0.11 0.00 0.00 43.42 43.08 2cup n LEU 43 CO 0.62 0.78 1.10 0.00 -1.51 0.00 0.00 177.39 178.39 2cup h ALA 44 N 2.07 0.76 0.00 -1.18 0.00 -1.90 -3.02 119.26 115.98 2cup h ALA 44 Ca 0.31 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.20 2cup h ALA 44 Cb 2.15 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2cup h ALA 44 CO 0.68 0.13 -1.31 0.09 0.00 0.00 0.00 179.25 178.83 2cup n ASN 45 N -4.72 0.75 -4.95 0.00 3.02 -1.26 -4.99 115.26 103.12 2cup n ASN 45 Ca 0.05 -0.54 -0.24 0.00 -0.03 0.00 0.00 54.58 53.82 2cup n ASN 45 Cb 0.06 1.38 0.02 0.00 -0.61 0.00 0.00 39.78 40.62 2cup n ASN 45 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2cup s GLU 46 N -3.02 2.29 0.62 3.52 0.41 -1.14 -5.13 118.70 116.26 2cup s GLU 46 Ca 0.01 -1.86 -0.08 0.00 -0.41 0.00 0.00 54.97 52.63 2cup s GLU 46 Cb 0.13 -2.31 0.00 0.00 -1.78 0.00 0.00 34.13 30.18 2cup s GLU 46 CO 0.78 -0.67 0.97 0.95 -0.49 0.00 0.00 175.26 176.80 2cup s THR 47 N -2.71 3.75 0.29 3.63 -4.23 -1.26 -4.73 115.64 110.37 2cup s THR 47 Ca 0.44 0.22 -0.11 0.00 -1.18 0.00 0.00 61.69 61.07 2cup s THR 47 Cb -0.03 -3.51 0.01 0.00 1.34 0.00 0.00 72.50 70.30 2cup s THR 47 CO 0.28 -0.59 0.53 0.72 -0.54 0.00 0.00 174.62 175.02 2cup s PHE 48 N -3.11 0.49 -0.05 3.99 -0.71 -1.26 -4.41 117.98 112.92 2cup s PHE 48 Ca 0.55 -0.86 -0.04 0.00 -1.04 0.00 0.00 56.93 55.53 2cup s PHE 48 Cb -0.11 0.22 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 2cup s PHE 48 CO 0.48 -1.12 0.13 0.08 -1.34 0.00 0.00 175.22 173.45 2cup s VAL 49 N -3.55 -0.01 -0.32 -2.49 1.01 0.95 -4.83 120.40 111.16 2cup s VAL 49 Ca 0.23 0.03 -0.05 0.00 0.00 0.00 0.00 61.98 62.19 2cup s VAL 49 Cb -0.01 -0.19 0.03 0.00 0.00 0.00 0.00 36.38 36.21 2cup s VAL 49 CO 0.12 0.01 0.07 0.00 0.00 0.00 0.00 175.10 175.30 2cup s ALA 50 N 0.24 2.98 -0.00 5.51 0.00 -1.26 -1.27 121.76 127.96 2cup s ALA 50 Ca -0.01 -1.67 -0.01 0.00 0.00 0.00 0.00 51.96 50.26 2cup s ALA 50 Cb -0.03 -2.15 -0.01 0.00 0.00 0.00 0.00 23.12 20.94 2cup s ALA 50 CO -0.01 -1.21 0.02 0.15 0.00 0.00 0.00 175.76 174.71 2cup s LYS 51 N 1.39 0.19 -1.46 0.00 1.02 -0.86 -4.87 119.74 115.16 2cup s LYS 51 Ca -0.01 -0.24 -0.09 0.00 0.02 0.00 0.00 55.97 55.65 2cup s LYS 51 Cb -0.19 0.07 0.06 0.00 -0.52 0.00 0.00 37.83 37.25 2cup s LYS 51 CO 0.02 -0.03 0.90 -3.47 -0.92 0.00 0.00 175.35 171.84 2cup n ASP 52 N 2.36 -3.71 -3.26 2.83 -0.08 -1.26 -0.85 116.55 112.59 2cup n ASP 52 Ca -0.18 -0.79 -0.22 0.00 -1.51 0.00 0.00 54.79 52.10 2cup n ASP 52 Cb 0.58 -3.97 -0.00 0.00 2.34 0.00 0.00 41.12 40.06 2cup n ASP 52 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2cup n ASN 53 N -2.91 -3.77 -3.91 1.67 2.85 -1.26 -4.94 115.26 102.99 2cup n ASN 53 Ca -0.07 -0.32 -0.14 0.00 -0.11 0.00 0.00 54.58 53.94 2cup n ASN 53 Cb 0.58 -3.13 -0.14 0.00 1.24 0.00 0.00 39.78 38.32 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2cup s LYS 54 N -5.90 0.22 -0.08 1.20 -0.14 -0.03 -5.14 119.74 109.88 2cup s LYS 54 Ca 0.35 -0.08 -0.23 0.00 -1.36 0.00 0.00 55.97 54.65 2cup s LYS 54 Cb -0.19 -0.23 -0.03 0.00 -1.68 0.00 0.00 37.83 35.70 2cup s LYS 54 CO 0.44 0.04 0.71 0.42 -0.76 0.00 0.00 175.35 176.19 2cup s ILE 55 N 0.03 5.04 0.17 2.17 -1.09 -1.26 -2.02 121.20 124.24 2cup s ILE 55 Ca 0.00 1.45 -0.05 0.00 -2.23 0.00 0.00 60.65 59.82 2cup s ILE 55 Cb -0.02 -4.04 -0.03 0.00 -1.58 0.00 0.00 42.46 36.79 2cup s ILE 55 CO -0.00 0.23 0.19 -0.76 -1.23 0.00 0.00 174.94 173.37 2cup s LEU 56 N 0.92 1.22 0.28 2.97 1.43 -0.40 -2.40 118.68 122.71 2cup s LEU 56 Ca 0.37 -1.13 0.07 0.00 -1.03 0.00 0.00 54.13 52.42 2cup s LEU 56 Cb -0.18 0.74 -0.03 0.00 0.03 0.00 0.00 46.19 46.75 2cup s LEU 56 CO 0.17 -0.85 0.21 0.00 0.23 0.00 0.00 176.35 176.11 2cup h ASN 58 N 1.45 -1.09 -1.18 0.00 2.35 -1.88 -0.52 115.58 114.70 2cup h ASN 58 Ca -0.47 0.10 0.39 0.00 -0.55 0.00 0.00 56.30 55.77 2cup h ASN 58 Cb 1.25 0.38 -0.13 0.00 0.05 0.00 0.00 38.32 39.86 2cup h ASN 58 CO 0.60 -0.52 0.73 0.11 -1.65 0.00 0.00 177.43 176.70 2cup h LYS 59 N -0.75 0.16 0.00 0.81 1.79 -1.95 0.26 116.57 116.89 2cup h LYS 59 Ca -0.02 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 2cup h LYS 59 Cb 0.70 -0.04 0.00 0.00 -1.58 0.00 0.00 32.23 31.31 2cup h LYS 59 CO -0.11 0.11 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2cup n THR 61 N -1.39 -0.39 -3.39 0.00 -2.24 -0.30 -3.85 114.28 102.72 2cup n THR 61 Ca 0.00 1.98 -0.40 0.00 -2.27 0.00 0.00 64.05 63.37 2cup n THR 61 Cb 0.00 -3.03 -0.09 0.00 -2.10 0.00 0.00 70.33 65.11 2cup n THR 61 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 2cup s THR 62 N -5.70 5.17 0.03 4.28 2.01 0.87 -5.04 115.64 117.26 2cup s THR 62 Ca -0.11 0.39 -0.27 0.00 0.31 0.00 0.00 61.69 62.01 2cup s THR 62 Cb 0.29 -3.74 0.08 0.00 0.01 0.00 0.00 72.50 69.14 2cup s THR 62 CO 0.73 0.07 0.69 0.00 -0.69 0.00 0.00 174.62 175.41 2cup s ARG 63 N 2.06 1.10 -0.25 4.92 1.04 -1.25 -4.57 118.95 122.01 2cup s ARG 63 Ca 0.14 -0.10 0.14 0.00 -1.04 0.00 0.00 55.73 54.87 2cup s ARG 63 Cb -0.16 0.51 0.47 0.00 -2.04 0.00 0.00 34.95 33.73 2cup s ARG 63 CO 0.11 -0.42 1.17 -0.85 -0.04 0.00 0.00 175.30 175.27 2cup n GLU 64 N 0.26 2.47 -3.33 3.89 0.28 -1.26 -4.98 120.64 117.96 2cup n GLU 64 Ca -0.17 -3.67 -0.47 0.00 -0.16 0.00 0.00 57.16 52.69 2cup n GLU 64 Cb 0.61 -1.79 -0.02 0.00 1.43 0.00 0.00 31.44 31.66 2cup n GLU 64 CO 0.00 0.00 0.00 0.34 -0.16 0.00 0.00 177.13 177.31 2cup s ASP 65 N -3.48 6.75 -0.06 -1.84 2.15 -1.26 -5.02 116.67 113.92 2cup s ASP 65 Ca 0.41 -2.70 0.02 0.00 0.43 0.00 0.00 52.55 50.71 2cup s ASP 65 Cb 0.38 -2.21 0.01 0.00 -0.30 0.00 0.00 42.92 40.80 2cup s ASP 65 CO -0.02 -0.57 -0.11 -0.44 -0.17 0.00 0.00 175.17 173.86 2cup s SER 66 N 2.14 1.64 1.13 -0.34 0.01 -1.26 -5.00 113.70 112.01 2cup s SER 66 Ca 0.18 -0.27 -0.17 0.00 1.31 0.00 0.00 55.95 57.00 2cup s SER 66 Cb -0.10 -0.74 0.25 0.00 0.21 0.00 0.00 66.02 65.65 2cup s SER 66 CO -0.09 0.03 1.10 -2.16 0.41 0.00 0.00 173.24 172.53 2cup s PRO 67 N 0.64 -0.65 0.05 12.44 0.04 -1.24 -4.86 135.00 141.43 2cup s PRO 67 Ca -0.13 0.14 0.01 0.00 0.04 0.00 0.00 61.00 61.06 2cup s PRO 67 Cb -0.15 -1.64 -0.03 0.00 0.04 0.00 0.00 34.50 32.71 2cup s PRO 67 CO 0.03 -3.37 -0.05 0.15 0.04 0.00 0.00 177.00 173.80 2cup s LYS 68 N -5.24 0.58 0.36 4.56 1.02 -1.26 -0.80 119.74 118.96 2cup s LYS 68 Ca 0.69 -0.99 0.03 0.00 0.02 0.00 0.00 55.97 55.72 2cup s LYS 68 Cb -0.13 -0.07 -0.01 0.00 -0.52 0.00 0.00 37.83 37.10 2cup s LYS 68 CO 0.57 -0.03 0.53 0.00 -0.92 0.00 0.00 175.35 175.50 2cup n LYS 70 N -1.78 2.75 -0.12 0.00 3.00 -1.15 -3.21 118.16 117.65 2cup n LYS 70 Ca -0.02 -0.01 -0.08 0.00 -0.00 0.00 0.00 58.31 58.20 2cup n LYS 70 Cb 0.57 -1.16 0.08 0.00 0.00 0.00 0.00 35.03 34.52 2cup n LYS 70 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 2cup h GLY 71 N 1.25 0.92 0.00 3.14 0.00 -1.95 -3.33 103.07 103.11 2cup h GLY 71 Ca -0.16 -0.75 0.00 0.00 0.00 0.00 0.00 47.33 46.43 2cup h GLY 71 CO 0.01 0.68 -0.18 0.00 0.00 0.00 0.00 176.54 177.05 2cup n PHE 73 N -1.01 -1.96 -4.36 0.00 3.72 -1.20 -5.03 117.46 107.63 2cup n PHE 73 Ca 0.00 0.81 -0.29 0.00 -0.05 0.00 0.00 57.45 57.92 2cup n PHE 73 Cb 0.00 -4.61 -0.12 0.00 -0.94 0.00 0.00 39.48 33.81 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 2cup s LYS 74 N -5.31 1.60 -0.27 -1.08 1.02 -1.25 -4.85 119.74 109.59 2cup s LYS 74 Ca 0.08 -1.26 -0.28 0.00 0.02 0.00 0.00 55.97 54.53 2cup s LYS 74 Cb -0.03 -2.01 -0.04 0.00 -0.52 0.00 0.00 37.83 35.22 2cup s LYS 74 CO 0.62 0.47 2.15 0.00 -0.92 0.00 0.00 175.35 177.67 2cup s ALA 75 N -1.09 2.64 0.15 5.17 0.00 -1.26 -1.08 121.76 126.29 2cup s ALA 75 Ca 0.16 0.58 -0.30 0.00 0.00 0.00 0.00 51.96 52.39 2cup s ALA 75 Cb -0.10 -4.09 -0.08 0.00 0.00 0.00 0.00 23.12 18.85 2cup s ALA 75 CO 0.08 -2.94 1.23 0.42 0.00 0.00 0.00 175.76 174.55 2cup s ILE 76 N 8.41 3.60 0.05 0.00 1.01 0.02 -4.93 121.20 129.36 2cup s ILE 76 Ca 0.95 1.27 -0.10 0.00 0.00 0.00 0.00 60.65 62.78 2cup s ILE 76 Cb -0.29 -3.81 -0.06 0.00 0.01 0.00 0.00 42.46 38.31 2cup s ILE 76 CO 0.34 0.17 0.37 -0.69 0.00 0.00 0.00 174.94 175.12 2cup s VAL 77 N 0.33 5.14 0.17 2.92 1.01 -1.26 -3.67 120.40 125.03 2cup s VAL 77 Ca 0.56 0.44 -0.20 0.00 0.00 0.00 0.00 61.98 62.77 2cup s VAL 77 Cb -0.33 -3.63 0.10 0.00 0.00 0.00 0.00 36.38 32.52 2cup s VAL 77 CO 0.35 0.35 1.61 0.00 0.00 0.00 0.00 175.10 177.40 2cup h ALA 78 N 3.91 -0.01 -0.74 5.51 0.00 -1.95 -1.12 119.26 124.86 2cup h ALA 78 Ca -0.50 0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.61 2cup h ALA 78 Cb 1.20 0.60 -0.06 0.00 0.00 0.00 0.00 17.79 19.53 2cup h ALA 78 CO 0.66 -0.63 0.43 0.78 0.00 0.00 0.00 179.25 180.49 2cup h GLY 79 N -0.18 1.10 -2.16 0.00 0.00 -2.04 -3.43 103.07 96.36 2cup h GLY 79 Ca 0.20 -0.31 -0.55 0.00 0.00 0.00 0.00 47.33 46.67 2cup h GLY 79 CO -0.53 0.20 -0.25 1.22 0.00 0.00 0.00 176.54 177.17 2cup n ASP 80 N -4.72 -0.86 -4.39 0.19 9.92 -0.42 -4.95 116.55 111.32 2cup n ASP 80 Ca 0.10 0.52 -0.43 0.00 -0.53 0.00 0.00 54.79 54.44 2cup n ASP 80 Cb 0.17 -1.29 -0.09 0.00 -0.64 0.00 0.00 41.12 39.28 2cup n ASP 80 CO 0.00 0.00 0.00 -1.10 0.13 0.00 0.00 177.20 176.23 2cup s GLN 81 N -3.36 2.93 0.34 -1.24 -1.52 -1.26 -4.85 119.66 110.70 2cup s GLN 81 Ca 0.65 -1.27 0.08 0.00 -1.95 0.00 0.00 55.36 52.87 2cup s GLN 81 Cb -0.30 -4.04 -0.03 0.00 -0.22 0.00 0.00 33.01 28.42 2cup s GLN 81 CO 0.59 -0.94 0.28 0.54 -0.25 0.00 0.00 175.29 175.51 2cup s ASN 82 N 2.29 5.22 -0.26 5.90 2.20 -1.26 -0.90 114.94 128.12 2cup s ASN 82 Ca 0.04 -0.53 0.02 0.00 -0.94 0.00 0.00 52.86 51.45 2cup s ASN 82 Cb -0.23 -0.94 0.07 0.00 -2.00 0.00 0.00 41.25 38.15 2cup s ASN 82 CO 0.07 -0.35 -0.04 -0.69 -2.94 0.00 0.00 177.10 173.15 2cup s VAL 83 N -2.32 1.75 -0.57 3.54 1.01 0.88 -4.76 120.40 119.92 2cup s VAL 83 Ca 0.41 -1.53 -0.28 0.00 0.00 0.00 0.00 61.98 60.58 2cup s VAL 83 Cb -0.05 -2.05 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2cup s VAL 83 CO 0.26 -0.22 1.18 -0.70 0.00 0.00 0.00 175.10 175.62 2cup s GLU 84 N 1.26 3.52 -0.53 2.72 2.12 -1.26 0.19 118.70 126.73 2cup s GLU 84 Ca -0.02 0.25 -0.07 0.00 0.36 0.00 0.00 54.97 55.48 2cup s GLU 84 Cb -0.19 -4.01 0.14 0.00 0.26 0.00 0.00 34.13 30.33 2cup s GLU 84 CO -0.08 -1.66 0.38 -0.47 -0.54 0.00 0.00 175.26 172.90 2cup s TYR 85 N 4.88 3.49 -1.38 5.30 5.04 0.16 -4.55 117.35 130.29 2cup s TYR 85 Ca 0.43 -2.18 0.00 0.00 -2.44 0.00 0.00 57.07 52.87 2cup s TYR 85 Cb -0.08 -3.41 0.00 0.00 0.35 0.00 0.00 41.96 38.82 2cup s TYR 85 CO 0.26 -0.96 0.00 1.63 -1.34 0.00 0.00 175.55 175.14 2cup n LYS 86 N 4.44 -1.07 0.00 4.97 5.02 -1.26 -3.16 118.16 127.09 2cup n LYS 86 Ca -0.01 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 2cup n LYS 86 Cb 0.41 -5.06 0.00 0.00 -0.02 0.00 0.00 35.03 30.36 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cup n GLY 87 N -1.11 3.25 3.69 0.72 0.00 -1.26 -5.07 105.19 105.41 2cup n GLY 87 Ca -0.16 -0.93 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 2cup n GLY 87 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cup s THR 88 N 0.00 4.18 0.02 2.61 -4.23 -1.19 -4.90 115.64 112.14 2cup s THR 88 Ca 0.00 1.52 -0.12 0.00 -1.18 0.00 0.00 61.69 61.91 2cup s THR 88 Cb 0.00 -3.98 -0.06 0.00 1.34 0.00 0.00 72.50 69.81 2cup s THR 88 CO 0.00 0.01 0.38 0.68 -0.54 0.00 0.00 174.62 175.15 2cup s VAL 89 N 2.10 5.10 -0.06 2.29 -7.23 -1.25 0.38 120.40 121.73 2cup s VAL 89 Ca 0.57 0.62 0.02 0.00 -1.81 0.00 0.00 61.98 61.38 2cup s VAL 89 Cb -0.26 -3.66 0.01 0.00 0.56 0.00 0.00 36.38 33.04 2cup s VAL 89 CO 0.23 0.46 -0.10 0.26 -0.31 0.00 0.00 175.10 175.64 2cup s TRP 90 N -1.21 1.25 -0.16 2.82 0.52 0.13 -2.92 118.94 119.37 2cup s TRP 90 Ca 0.27 -0.43 -0.39 0.00 0.02 0.00 0.00 56.10 55.56 2cup s TRP 90 Cb -0.15 -0.94 -0.16 0.00 -1.15 0.00 0.00 33.47 31.06 2cup s TRP 90 CO 0.15 -0.24 1.58 0.72 0.02 0.00 0.00 176.95 179.18 2cup n HIS 91 N 3.82 1.81 -0.29 -1.98 8.25 -1.26 -0.09 115.22 125.48 2cup n HIS 91 Ca -0.23 0.61 0.25 0.00 -0.26 0.00 0.00 57.72 58.09 2cup n HIS 91 Cb 0.52 -2.40 0.43 0.00 1.12 0.00 0.00 29.99 29.66 2cup n HIS 91 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 2cup n LYS 92 N 4.23 -0.03 -0.01 -0.41 3.00 -0.08 0.19 118.16 125.06 2cup n LYS 92 Ca 0.24 0.83 -0.12 0.00 -0.00 0.00 0.00 58.31 59.25 2cup n LYS 92 Cb 0.14 -1.61 -0.10 0.00 0.00 0.00 0.00 35.03 33.47 2cup n LYS 92 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2cup h ASP 93 N 0.00 -0.06 -0.99 3.14 3.32 -1.84 -3.28 116.42 116.70 2cup h ASP 93 Ca 0.57 -0.58 0.14 0.00 0.02 0.00 0.00 57.03 57.18 2cup h ASP 93 Cb 1.79 0.02 -0.09 0.00 0.22 0.00 0.00 39.33 41.27 2cup h ASP 93 CO -0.33 0.61 0.62 0.00 -1.72 0.00 0.00 179.24 178.42 2cup s PHE 95 N -5.90 2.57 -0.10 0.00 2.19 -0.12 -4.71 117.98 111.90 2cup s PHE 95 Ca -0.12 -0.60 -0.03 0.00 0.33 0.00 0.00 56.93 56.52 2cup s PHE 95 Cb 0.23 -4.52 -0.05 0.00 -1.31 0.00 0.00 43.02 37.37 2cup s PHE 95 CO 0.81 -1.85 -0.11 0.43 1.83 0.00 0.00 175.22 176.33 2cup n SER 96 N 8.42 1.80 0.00 6.13 7.64 -1.25 -4.86 113.62 131.50 2cup n SER 96 Ca 0.14 0.05 0.00 0.00 1.01 0.00 0.00 58.87 60.06 2cup n SER 96 Cb 0.49 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.46 2cup n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 97 N 2.67 3.70 0.00 0.23 0.00 -1.26 -4.92 105.19 105.61 2cup n GLY 97 Ca -0.18 -1.12 0.07 0.00 0.00 0.00 0.00 46.02 44.79 2cup n GLY 97 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2cup n PRO 98 N 0.00 0.13 -3.59 1.61 -0.04 -1.26 -4.74 135.00 127.11 2cup n PRO 98 Ca 0.00 0.19 -0.13 0.00 -0.04 0.00 0.00 63.50 63.52 2cup n PRO 98 Cb 0.00 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 31.90 2cup n PRO 98 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2cup s SER 99 N -2.74 -0.57 -0.27 3.54 0.15 -1.26 -5.08 113.70 107.48 2cup s SER 99 Ca 0.11 0.89 -0.15 0.00 0.70 0.00 0.00 55.95 57.50 2cup s SER 99 Cb 0.10 0.84 -0.13 0.00 -1.71 0.00 0.00 66.02 65.11 2cup s SER 99 CO 0.24 -0.33 -0.27 -0.24 1.20 0.00 0.00 173.24 173.83 2cup n SER 100 N 1.71 1.94 0.00 5.45 2.88 -1.26 -5.18 113.62 119.16 2cup n SER 100 Ca -0.14 0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 2cup n SER 100 Cb 0.56 -0.84 0.00 0.00 -0.75 0.00 0.00 64.21 63.18 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42