#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup n SER 2 N 0.00 -4.49 -0.25 1.61 7.64 -1.26 -4.90 113.62 111.97 2cup n SER 2 Ca 0.00 -0.56 -0.05 0.00 1.01 0.00 0.00 58.87 59.27 2cup n SER 2 Cb 0.00 -4.98 0.05 0.00 -1.01 0.00 0.00 64.21 58.28 2cup n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2cup h SER 3 N -2.32 0.78 0.15 6.43 4.64 -2.00 -2.62 113.55 118.61 2cup h SER 3 Ca -0.57 -0.02 -0.16 0.00 -0.47 0.00 0.00 61.79 60.58 2cup h SER 3 Cb 1.35 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.24 2cup h SER 3 CO 0.52 0.57 -0.58 1.23 -0.87 0.00 0.00 176.83 177.70 2cup h GLY 4 N 0.93 0.48 -5.85 -0.77 0.00 -1.92 -3.47 103.07 92.46 2cup h GLY 4 Ca 0.25 -0.58 -0.38 0.00 0.00 0.00 0.00 47.33 46.62 2cup h GLY 4 CO -0.06 0.52 -0.75 1.44 0.00 0.00 0.00 176.54 177.69 2cup n SER 5 N -3.92 -3.67 -3.82 0.19 7.64 -0.99 -5.00 113.62 104.05 2cup n SER 5 Ca -0.03 -0.64 -0.18 0.00 1.01 0.00 0.00 58.87 59.03 2cup n SER 5 Cb 0.61 -4.80 -0.09 0.00 -1.01 0.00 0.00 64.21 58.92 2cup n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2cup s SER 6 N -3.90 1.35 0.09 6.43 0.01 -1.26 -5.16 113.70 111.25 2cup s SER 6 Ca 0.27 -1.60 -0.27 0.00 1.31 0.00 0.00 55.95 55.67 2cup s SER 6 Cb -0.12 0.45 0.08 0.00 0.21 0.00 0.00 66.02 66.64 2cup s SER 6 CO 0.75 -0.94 0.94 -0.83 0.41 0.00 0.00 173.24 173.57 2cup s GLY 7 N -3.34 -0.33 0.27 3.44 0.00 -1.26 -3.96 107.32 102.14 2cup s GLY 7 Ca 0.38 0.49 -0.12 0.00 0.00 0.00 0.00 44.72 45.46 2cup s GLY 7 CO 0.20 0.14 0.63 0.00 0.00 0.00 0.00 173.10 174.06 2cup n VAL 9 N -0.19 0.58 -0.05 0.00 0.24 -1.08 -2.70 118.33 115.14 2cup n VAL 9 Ca 0.02 -0.61 -0.06 0.00 -2.04 0.00 0.00 64.34 61.64 2cup n VAL 9 Cb 0.53 -0.27 -0.05 0.00 -1.47 0.00 0.00 33.84 32.57 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 -0.02 -0.53 7.34 4.22 -1.95 -3.34 114.58 120.30 2cup h GLU 10 Ca -0.14 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2cup h GLU 10 Cb 1.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.60 2cup h GLU 10 CO 0.01 0.38 0.00 0.00 -2.18 0.00 0.00 179.01 177.23 2cup n ARG 12 N 1.15 -2.21 -4.26 0.00 1.74 -1.10 -4.86 116.66 107.12 2cup n ARG 12 Ca 0.19 0.03 -0.24 0.00 -0.77 0.00 0.00 57.85 57.07 2cup n ARG 12 Cb 0.48 -4.01 -0.07 0.00 -1.02 0.00 0.00 32.46 27.84 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2cup s LYS 13 N -4.97 2.38 0.28 5.56 1.02 -1.24 -4.85 119.74 117.92 2cup s LYS 13 Ca 0.20 -1.32 -0.29 0.00 0.02 0.00 0.00 55.97 54.58 2cup s LYS 13 Cb -0.12 -2.24 -0.10 0.00 -0.52 0.00 0.00 37.83 34.86 2cup s LYS 13 CO 0.25 0.39 1.25 -1.25 -0.92 0.00 0.00 175.35 175.06 2cup s PRO 14 N -3.54 4.45 0.07 -1.68 0.04 -1.26 -0.22 135.00 132.86 2cup s PRO 14 Ca 0.31 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.42 2cup s PRO 14 Cb -0.07 -3.14 -0.04 0.00 0.04 0.00 0.00 34.50 31.29 2cup s PRO 14 CO 0.20 -0.09 0.13 0.42 0.04 0.00 0.00 177.00 177.70 2cup s ILE 15 N -0.79 4.88 0.11 0.56 1.01 -1.25 -4.84 121.20 120.87 2cup s ILE 15 Ca 0.50 -0.60 0.06 0.00 0.00 0.00 0.00 60.65 60.60 2cup s ILE 15 Cb -0.37 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 2cup s ILE 15 CO 0.45 0.14 -0.00 -0.83 0.00 0.00 0.00 174.94 174.70 2cup s GLY 16 N -2.41 1.86 0.18 6.18 0.00 -1.26 -4.85 107.32 107.02 2cup s GLY 16 Ca 0.31 -1.18 -0.14 0.00 0.00 0.00 0.00 44.72 43.71 2cup s GLY 16 CO 0.24 -1.17 1.84 0.00 0.00 0.00 0.00 173.10 174.00 2cup h ALA 17 N 3.24 0.70 -0.62 3.20 0.00 -2.02 -2.10 119.26 121.67 2cup h ALA 17 Ca -0.48 -0.05 0.09 0.00 0.00 0.00 0.00 54.91 54.48 2cup h ALA 17 Cb 1.17 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2cup h ALA 17 CO 0.59 0.15 0.42 -0.44 0.00 0.00 0.00 179.25 179.96 2cup h ASP 18 N 0.74 0.41 -3.17 0.00 3.32 -2.06 -3.40 116.42 112.27 2cup h ASP 18 Ca 0.20 0.01 -0.58 0.00 0.02 0.00 0.00 57.03 56.68 2cup h ASP 18 Cb -0.07 -0.08 -0.06 0.00 0.22 0.00 0.00 39.33 39.34 2cup h ASP 18 CO -0.04 0.25 0.65 -0.44 -1.72 0.00 0.00 179.24 177.94 2cup s SER 19 N -6.23 7.04 -0.41 6.45 0.01 -0.79 -4.97 113.70 114.81 2cup s SER 19 Ca -0.08 1.30 -0.27 0.00 1.31 0.00 0.00 55.95 58.21 2cup s SER 19 Cb 0.20 -2.51 -0.04 0.00 0.21 0.00 0.00 66.02 63.87 2cup s SER 19 CO 0.75 -0.58 2.13 -0.54 0.41 0.00 0.00 173.24 175.41 2cup s LYS 20 N 2.84 2.71 0.52 12.44 -0.14 -1.26 -4.69 119.74 132.17 2cup s LYS 20 Ca 0.42 1.41 0.08 0.00 -1.36 0.00 0.00 55.97 56.51 2cup s LYS 20 Cb -0.16 -4.41 0.06 0.00 -1.68 0.00 0.00 37.83 31.64 2cup s LYS 20 CO 0.09 -2.59 0.72 -1.83 -0.76 0.00 0.00 175.35 170.97 2cup s GLU 21 N 7.01 2.49 -0.25 1.68 4.04 -1.26 -3.31 118.70 129.10 2cup s GLU 21 Ca 0.89 -1.39 -0.01 0.00 0.04 0.00 0.00 54.97 54.50 2cup s GLU 21 Cb -0.21 -2.66 0.07 0.00 0.02 0.00 0.00 34.13 31.35 2cup s GLU 21 CO 0.29 -0.65 0.03 0.08 -1.84 0.00 0.00 175.26 173.16 2cup s VAL 22 N -2.58 1.01 -0.24 1.83 1.01 -0.67 -4.96 120.40 115.80 2cup s VAL 22 Ca 0.59 -1.09 -0.16 0.00 0.00 0.00 0.00 61.98 61.32 2cup s VAL 22 Cb -0.08 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.74 2cup s VAL 22 CO 0.37 -0.34 0.42 -2.28 0.00 0.00 0.00 175.10 173.28 2cup s HIS 23 N 1.60 3.30 -0.18 5.22 5.04 -1.26 -1.88 115.29 127.14 2cup s HIS 23 Ca 0.01 0.55 -0.13 0.00 -1.54 0.00 0.00 55.06 53.96 2cup s HIS 23 Cb -0.18 -2.60 0.05 0.00 0.04 0.00 0.00 32.58 29.90 2cup s HIS 23 CO -0.13 -0.17 0.45 -0.47 -2.34 0.00 0.00 174.74 172.08 2cup s TYR 24 N 1.88 -0.59 -1.43 3.88 5.04 -1.09 -4.90 117.35 120.14 2cup s TYR 24 Ca 0.18 1.32 -0.06 0.00 -2.44 0.00 0.00 57.07 56.07 2cup s TYR 24 Cb -0.15 0.25 0.04 0.00 0.35 0.00 0.00 41.96 42.45 2cup s TYR 24 CO 0.09 -0.31 0.72 1.63 -1.34 0.00 0.00 175.55 176.34 2cup n LYS 25 N 3.64 -4.52 -3.34 4.97 4.76 -1.26 -0.85 118.16 121.56 2cup n LYS 25 Ca -0.19 0.54 -0.23 0.00 -2.87 0.00 0.00 58.31 55.56 2cup n LYS 25 Cb 0.56 -5.10 0.06 0.00 -1.84 0.00 0.00 35.03 28.72 2cup n LYS 25 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2cup n ASN 26 N -2.94 -6.25 -3.54 4.39 3.02 -1.26 -4.99 115.26 103.69 2cup n ASN 26 Ca -0.17 -0.43 -0.22 0.00 -0.03 0.00 0.00 54.58 53.73 2cup n ASN 26 Cb 0.62 -4.96 -0.06 0.00 -0.61 0.00 0.00 39.78 34.77 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 -4.56 0.61 -3.62 3.52 5.12 -0.03 -5.14 116.66 112.57 2cup n ARG 27 Ca -0.04 -3.01 -0.02 0.00 -1.93 0.00 0.00 57.85 52.85 2cup n ARG 27 Cb 0.58 1.68 -0.05 0.00 -1.16 0.00 0.00 32.46 33.51 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 -2.90 -1.21 -0.02 -1.55 0.40 -1.25 -2.69 117.98 108.76 2cup s PHE 28 Ca 0.19 2.16 0.06 0.00 -0.60 0.00 0.00 56.93 58.73 2cup s PHE 28 Cb 0.01 0.73 -0.01 0.00 0.51 0.00 0.00 43.02 44.25 2cup s PHE 28 CO 0.13 -0.60 -0.19 -1.58 0.70 0.00 0.00 175.22 173.68 2cup s TRP 29 N 2.57 1.73 0.81 0.36 0.51 -0.78 -2.63 118.94 121.51 2cup s TRP 29 Ca -0.07 -0.36 -0.11 0.00 -2.12 0.00 0.00 56.10 53.44 2cup s TRP 29 Cb -0.10 -1.13 0.09 0.00 -0.81 0.00 0.00 33.47 31.52 2cup s TRP 29 CO -0.19 -0.06 1.13 -1.01 -0.51 0.00 0.00 176.95 176.31 2cup s HIS 30 N -0.35 2.15 0.60 -1.98 3.76 -1.26 -1.67 115.29 116.53 2cup s HIS 30 Ca 0.05 1.66 0.35 0.00 -0.15 0.00 0.00 55.06 56.97 2cup s HIS 30 Cb -0.08 -3.22 1.91 0.00 1.11 0.00 0.00 32.58 32.29 2cup s HIS 30 CO -0.00 -2.28 2.07 0.22 -0.85 0.00 0.00 174.74 173.90 2cup h ASP 31 N -1.24 0.00 0.00 1.40 3.58 -1.92 0.28 116.42 118.51 2cup h ASP 31 Ca -0.44 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.01 2cup h ASP 31 Cb 1.25 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.30 2cup h ASP 31 CO 0.47 0.00 -1.04 1.07 -2.88 0.00 0.00 179.24 176.87 2cup n THR 32 N -2.90 0.00 -0.06 2.25 5.66 -1.26 -4.56 114.28 113.41 2cup n THR 32 Ca -0.02 -0.21 -0.22 0.00 -3.05 0.00 0.00 64.05 60.54 2cup n THR 32 Cb 0.24 0.72 -0.12 0.00 -1.55 0.00 0.00 70.33 69.61 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup s PHE 34 N -2.45 1.25 0.31 0.00 5.36 0.45 -4.87 117.98 118.03 2cup s PHE 34 Ca -0.26 1.02 -0.19 0.00 -0.96 0.00 0.00 56.93 56.54 2cup s PHE 34 Cb 0.06 -3.82 0.03 0.00 -0.34 0.00 0.00 43.02 38.96 2cup s PHE 34 CO 0.66 -3.10 0.74 -0.98 -1.46 0.00 0.00 175.22 171.08 2cup s ARG 35 N 7.18 1.94 1.00 10.12 1.70 -1.26 -3.29 118.95 136.33 2cup s ARG 35 Ca 0.94 -1.14 -0.12 0.00 -0.47 0.00 0.00 55.73 54.93 2cup s ARG 35 Cb -0.23 0.61 0.19 0.00 -0.57 0.00 0.00 34.95 34.95 2cup s ARG 35 CO 0.29 -0.89 1.08 0.00 -1.08 0.00 0.00 175.30 174.70 2cup n ALA 37 N -4.24 2.61 -0.11 0.00 0.00 -1.06 -3.32 120.51 114.39 2cup n ALA 37 Ca 0.06 -0.29 -0.23 0.00 0.00 0.00 0.00 53.44 52.98 2cup n ALA 37 Cb 0.56 -0.41 -0.12 0.00 0.00 0.00 0.00 19.45 19.48 2cup n ALA 37 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2cup n LYS 38 N -1.81 0.64 -0.02 0.00 5.02 -1.26 -4.60 118.16 116.14 2cup n LYS 38 Ca -0.01 0.26 0.07 0.00 -2.02 0.00 0.00 58.31 56.61 2cup n LYS 38 Cb 0.29 -1.57 -0.14 0.00 -0.02 0.00 0.00 35.03 33.58 2cup n LYS 38 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2cup n LEU 40 N -2.20 -3.83 -4.34 0.00 4.77 -1.21 -4.96 117.00 105.22 2cup n LEU 40 Ca -0.06 -0.43 -0.32 0.00 -0.03 0.00 0.00 56.01 55.17 2cup n LEU 40 Cb 0.55 -2.22 -0.15 0.00 -2.33 0.00 0.00 43.42 39.26 2cup n LEU 40 CO 0.39 0.16 -0.54 -2.28 -1.33 0.00 0.00 177.39 173.79 2cup s HIS 41 N -3.24 2.47 -0.35 -1.77 2.46 -1.26 -4.68 115.29 108.92 2cup s HIS 41 Ca 0.15 -0.46 -0.28 0.00 0.47 0.00 0.00 55.06 54.94 2cup s HIS 41 Cb -0.02 -1.57 -0.01 0.00 -0.13 0.00 0.00 32.58 30.85 2cup s HIS 41 CO 0.47 -0.04 1.70 -1.25 -2.47 0.00 0.00 174.74 173.16 2cup s PRO 42 N -0.48 3.40 -0.09 2.88 0.04 -1.26 0.69 135.00 140.17 2cup s PRO 42 Ca 0.06 1.31 0.02 0.00 0.04 0.00 0.00 61.00 62.42 2cup s PRO 42 Cb -0.11 -4.15 0.16 0.00 0.04 0.00 0.00 34.50 30.44 2cup s PRO 42 CO 0.01 -1.78 1.10 1.28 0.04 0.00 0.00 177.00 177.65 2cup n LEU 43 N 9.91 3.40 0.40 -3.56 7.99 -1.21 -4.38 117.00 129.56 2cup n LEU 43 Ca 0.21 -1.75 -0.16 0.00 -0.01 0.00 0.00 56.01 54.31 2cup n LEU 43 Cb 0.47 -0.57 -0.08 0.00 -0.11 0.00 0.00 43.42 43.14 2cup n LEU 43 CO 0.69 0.55 0.49 0.00 -1.51 0.00 0.00 177.39 177.62 2cup h ALA 44 N 1.95 -1.21 0.00 -1.18 0.00 -1.89 -3.22 119.26 113.71 2cup h ALA 44 Ca 0.11 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 2cup h ALA 44 Cb 1.28 0.40 -0.00 0.00 0.00 0.00 0.00 17.79 19.47 2cup h ALA 44 CO 0.22 -1.13 -0.28 -0.91 0.00 0.00 0.00 179.25 177.15 2cup h ASN 45 N -1.09 0.00 -1.07 0.00 2.35 -1.99 -3.46 115.58 110.32 2cup h ASN 45 Ca -0.11 0.00 -0.47 0.00 -0.55 0.00 0.00 56.30 55.17 2cup h ASN 45 Cb 0.79 0.00 0.02 0.00 0.05 0.00 0.00 38.32 39.18 2cup h ASN 45 CO 0.17 0.02 -0.19 -1.61 -1.65 0.00 0.00 177.43 174.17 2cup s GLU 46 N -3.24 2.51 0.54 0.81 0.41 -1.22 -5.12 118.70 113.40 2cup s GLU 46 Ca 0.05 -1.51 -0.05 0.00 -0.41 0.00 0.00 54.97 53.05 2cup s GLU 46 Cb 0.06 -2.63 -0.00 0.00 -1.78 0.00 0.00 34.13 29.78 2cup s GLU 46 CO 0.70 -0.58 0.84 -0.08 -0.49 0.00 0.00 175.26 175.65 2cup s THR 47 N -2.54 3.94 0.18 3.63 -1.32 -1.26 -4.73 115.64 113.53 2cup s THR 47 Ca 0.56 -0.06 0.01 0.00 -1.21 0.00 0.00 61.69 60.99 2cup s THR 47 Cb -0.07 -3.53 -0.04 0.00 -1.51 0.00 0.00 72.50 67.35 2cup s THR 47 CO 0.35 -0.51 0.04 0.72 -2.21 0.00 0.00 174.62 173.01 2cup s PHE 48 N -2.86 1.17 -0.05 9.09 -0.71 -1.26 -4.52 117.98 118.83 2cup s PHE 48 Ca 0.52 -1.12 -0.01 0.00 -1.04 0.00 0.00 56.93 55.28 2cup s PHE 48 Cb -0.10 -0.66 0.03 0.00 -1.21 0.00 0.00 43.02 41.07 2cup s PHE 48 CO 0.44 -0.33 0.01 0.08 -1.34 0.00 0.00 175.22 174.07 2cup s VAL 49 N -3.80 0.26 -0.40 -2.49 1.01 0.15 -4.93 120.40 110.20 2cup s VAL 49 Ca 0.27 0.15 -0.16 0.00 0.00 0.00 0.00 61.98 62.24 2cup s VAL 49 Cb 0.07 -0.41 0.01 0.00 0.00 0.00 0.00 36.38 36.05 2cup s VAL 49 CO 0.05 0.22 0.40 0.00 0.00 0.00 0.00 175.10 175.77 2cup s ALA 50 N 1.73 3.45 0.00 5.51 0.00 -1.26 -1.59 121.76 129.60 2cup s ALA 50 Ca 0.01 -1.45 -0.00 0.00 0.00 0.00 0.00 51.96 50.52 2cup s ALA 50 Cb -0.13 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 2cup s ALA 50 CO -0.04 -1.42 0.00 -1.59 0.00 0.00 0.00 175.76 172.71 2cup s LYS 51 N 2.05 0.07 -1.56 0.00 -2.85 -0.97 -4.85 119.74 111.62 2cup s LYS 51 Ca 0.11 -0.11 -0.15 0.00 -1.00 0.00 0.00 55.97 54.82 2cup s LYS 51 Cb -0.17 0.02 0.10 0.00 -2.06 0.00 0.00 37.83 35.73 2cup s LYS 51 CO 0.13 -0.01 0.89 -0.25 0.10 0.00 0.00 175.35 176.21 2cup n ASP 52 N 2.79 -4.43 -3.86 0.03 8.00 -1.26 -0.72 116.55 117.10 2cup n ASP 52 Ca -0.14 -0.79 -0.28 0.00 0.71 0.00 0.00 54.79 54.28 2cup n ASP 52 Cb 0.59 -3.56 0.03 0.00 -0.02 0.00 0.00 41.12 38.16 2cup n ASP 52 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2cup n ASN 53 N -2.73 -4.22 -3.73 -2.24 5.15 -1.26 -4.97 115.26 101.25 2cup n ASN 53 Ca 0.05 -0.77 -0.12 0.00 -0.60 0.00 0.00 54.58 53.13 2cup n ASN 53 Cb 0.52 -3.99 -0.13 0.00 -0.53 0.00 0.00 39.78 35.65 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2cup s LYS 54 N -6.48 0.20 -0.00 1.20 1.02 0.10 -5.14 119.74 110.64 2cup s LYS 54 Ca 0.53 0.51 -0.30 0.00 0.02 0.00 0.00 55.97 56.74 2cup s LYS 54 Cb -0.27 -0.12 -0.04 0.00 -0.52 0.00 0.00 37.83 36.89 2cup s LYS 54 CO 0.82 -0.16 1.06 0.42 -0.92 0.00 0.00 175.35 176.57 2cup s ILE 55 N 1.22 4.58 0.06 2.17 -1.09 -1.26 -2.29 121.20 124.59 2cup s ILE 55 Ca -0.09 1.85 -0.08 0.00 -2.23 0.00 0.00 60.65 60.10 2cup s ILE 55 Cb -0.10 -4.19 -0.00 0.00 -1.58 0.00 0.00 42.46 36.59 2cup s ILE 55 CO -0.08 0.11 0.18 -0.76 -1.23 0.00 0.00 174.94 173.16 2cup s LEU 56 N 1.25 1.46 0.27 2.97 1.43 -0.62 -2.57 118.68 122.87 2cup s LEU 56 Ca 0.54 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 53.15 2cup s LEU 56 Cb -0.23 0.95 -0.02 0.00 0.03 0.00 0.00 46.19 46.91 2cup s LEU 56 CO 0.27 -0.64 0.39 0.00 0.23 0.00 0.00 176.35 176.59 2cup h ASN 58 N 1.09 0.53 -0.08 0.00 7.08 -1.92 0.90 115.58 123.18 2cup h ASN 58 Ca -0.50 0.12 0.04 0.00 -3.08 0.00 0.00 56.30 52.87 2cup h ASN 58 Cb 1.24 0.04 -0.05 0.00 -2.08 0.00 0.00 38.32 37.47 2cup h ASN 58 CO 0.59 0.15 -0.24 0.50 -2.08 0.00 0.00 177.43 176.35 2cup h LYS 59 N 0.57 -0.32 0.51 4.14 3.11 -1.94 -0.78 116.57 121.86 2cup h LYS 59 Ca 0.54 0.02 -0.03 0.00 -2.81 0.00 0.00 60.65 58.37 2cup h LYS 59 Cb 0.89 0.07 0.01 0.00 -1.00 0.00 0.00 32.23 32.20 2cup h LYS 59 CO -0.43 -0.21 -0.25 0.00 -2.81 0.00 0.00 179.45 175.75 2cup h THR 61 N -1.01 0.02 -0.74 0.00 1.35 -0.79 -3.39 112.91 108.34 2cup h THR 61 Ca -0.07 0.00 -0.71 0.00 -0.55 0.00 0.00 66.41 65.08 2cup h THR 61 Cb 0.61 0.02 -0.02 0.00 -1.73 0.00 0.00 68.15 67.02 2cup h THR 61 CO 0.12 0.00 1.38 0.41 -0.25 0.00 0.00 175.52 177.17 2cup n THR 62 N -5.61 0.13 -1.19 6.82 -1.04 -0.31 -4.73 114.28 108.34 2cup n THR 62 Ca 0.15 -0.17 -0.47 0.00 -2.04 0.00 0.00 64.05 61.53 2cup n THR 62 Cb 0.49 -1.26 -0.06 0.00 -1.82 0.00 0.00 70.33 67.67 2cup n THR 62 CO 0.00 0.00 0.00 -2.11 -0.64 0.00 0.00 175.07 172.32 2cup n ARG 63 N 7.91 0.00 -3.66 -2.82 1.85 -1.26 -4.93 116.66 113.75 2cup n ARG 63 Ca 0.45 0.00 -0.07 0.00 -1.00 0.00 0.00 57.85 57.24 2cup n ARG 63 Cb 0.14 -1.17 -0.02 0.00 -1.05 0.00 0.00 32.46 30.36 2cup n ARG 63 CO 0.00 0.00 0.00 -2.00 -0.01 0.00 0.00 177.63 175.62 2cup s GLU 64 N 0.26 1.26 -1.29 2.89 -6.30 -1.26 -4.97 118.70 109.28 2cup s GLU 64 Ca 0.72 -0.62 -0.08 0.00 -2.50 0.00 0.00 54.97 52.49 2cup s GLU 64 Cb -1.01 0.48 0.01 0.00 0.00 0.00 0.00 34.13 33.61 2cup s GLU 64 CO 0.47 -0.57 1.13 -0.25 0.02 0.00 0.00 175.26 176.06 2cup n ASP 65 N -0.40 -5.97 -3.01 -1.70 8.00 -1.26 -4.87 116.55 107.34 2cup n ASP 65 Ca -0.08 -0.52 -0.30 0.00 0.71 0.00 0.00 54.79 54.60 2cup n ASP 65 Cb 0.61 -4.85 -0.00 0.00 -0.02 0.00 0.00 41.12 36.86 2cup n ASP 65 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 2cup n SER 66 N -2.84 -1.85 -3.51 -2.24 7.64 -1.26 -4.91 113.62 104.65 2cup n SER 66 Ca -0.01 0.60 -0.29 0.00 1.01 0.00 0.00 58.87 60.18 2cup n SER 66 Cb 0.56 -0.62 0.24 0.00 -1.01 0.00 0.00 64.21 63.38 2cup n SER 66 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2cup n PRO 67 N 0.90 -3.08 -4.01 1.43 -0.04 -1.26 -4.88 135.00 124.05 2cup n PRO 67 Ca 0.08 -1.68 -0.08 0.00 -0.04 0.00 0.00 63.50 61.79 2cup n PRO 67 Cb 0.26 -1.58 -0.10 0.00 -0.04 0.00 0.00 33.50 32.05 2cup n PRO 67 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2cup s LYS 68 N -5.38 0.58 0.37 0.54 -2.85 -1.26 -2.03 119.74 109.71 2cup s LYS 68 Ca 0.68 -1.00 0.02 0.00 -1.00 0.00 0.00 55.97 54.68 2cup s LYS 68 Cb -0.07 0.21 -0.02 0.00 -2.06 0.00 0.00 37.83 35.90 2cup s LYS 68 CO 0.52 -0.13 0.55 0.00 0.10 0.00 0.00 175.35 176.40 2cup n LYS 70 N -1.82 2.59 -0.09 0.00 3.00 -1.15 -3.30 118.16 117.40 2cup n LYS 70 Ca -0.02 -0.01 -0.04 0.00 -0.00 0.00 0.00 58.31 58.24 2cup n LYS 70 Cb 0.57 -1.12 0.17 0.00 0.00 0.00 0.00 35.03 34.65 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 0.96 0.80 0.00 3.14 0.00 -1.94 -3.35 103.07 102.69 2cup h GLY 71 Ca -0.11 -0.54 0.00 0.00 0.00 0.00 0.00 47.33 46.69 2cup h GLY 71 CO 0.01 0.50 -0.76 0.00 0.00 0.00 0.00 176.54 176.28 2cup n PHE 73 N -1.24 -0.70 -4.84 0.00 7.35 -1.21 -5.06 117.46 111.76 2cup n PHE 73 Ca 0.00 0.29 -0.27 0.00 -0.76 0.00 0.00 57.45 56.71 2cup n PHE 73 Cb 0.07 -2.97 -0.15 0.00 0.35 0.00 0.00 39.48 36.78 2cup n PHE 73 CO 0.00 0.00 0.00 0.15 -0.76 0.00 0.00 176.76 176.15 2cup s LYS 74 N -4.28 1.57 -0.20 -4.13 1.02 -1.26 -4.88 119.74 107.58 2cup s LYS 74 Ca 0.02 -0.89 -0.37 0.00 0.02 0.00 0.00 55.97 54.75 2cup s LYS 74 Cb -0.00 -1.63 -0.13 0.00 -0.52 0.00 0.00 37.83 35.55 2cup s LYS 74 CO 0.23 0.43 1.85 0.00 -0.92 0.00 0.00 175.35 176.94 2cup n ALA 75 N 2.13 0.42 -2.00 5.17 0.00 -1.26 -2.34 120.51 122.62 2cup n ALA 75 Ca -0.16 0.30 -0.32 0.00 0.00 0.00 0.00 53.44 53.25 2cup n ALA 75 Cb 0.53 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.54 2cup n ALA 75 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2cup s ILE 76 N 4.18 4.58 -0.06 0.00 1.01 -0.86 -4.92 121.20 125.14 2cup s ILE 76 Ca 0.97 1.12 -0.01 0.00 0.00 0.00 0.00 60.65 62.72 2cup s ILE 76 Cb -0.88 -3.64 -0.04 0.00 0.01 0.00 0.00 42.46 37.92 2cup s ILE 76 CO 0.58 -0.34 0.03 -0.69 0.00 0.00 0.00 174.94 174.52 2cup s VAL 77 N -2.18 4.46 0.16 2.92 1.01 -1.26 -4.32 120.40 121.18 2cup s VAL 77 Ca 0.57 -0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.00 2cup s VAL 77 Cb -0.10 -2.94 0.03 0.00 0.00 0.00 0.00 36.38 33.38 2cup s VAL 77 CO 0.20 0.51 1.59 0.00 0.00 0.00 0.00 175.10 177.40 2cup h ALA 78 N 4.77 -0.27 -0.65 5.51 0.00 -1.97 -0.45 119.26 126.20 2cup h ALA 78 Ca -0.50 0.08 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2cup h ALA 78 Cb 1.19 0.73 -0.03 0.00 0.00 0.00 0.00 17.79 19.68 2cup h ALA 78 CO 0.57 -0.77 0.43 0.78 0.00 0.00 0.00 179.25 180.26 2cup h GLY 79 N -0.29 0.91 -4.10 0.00 0.00 -2.05 -3.43 103.07 94.11 2cup h GLY 79 Ca 0.15 -0.34 -0.56 0.00 0.00 0.00 0.00 47.33 46.58 2cup h GLY 79 CO -0.52 0.34 0.62 1.22 0.00 0.00 0.00 176.54 178.20 2cup n ASP 80 N -4.44 3.18 -4.62 0.19 9.92 -0.18 -4.91 116.55 115.69 2cup n ASP 80 Ca 0.07 1.21 -0.43 0.00 -0.53 0.00 0.00 54.79 55.11 2cup n ASP 80 Cb 0.04 -1.54 -0.02 0.00 -0.64 0.00 0.00 41.12 38.96 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 -1.93 3.90 0.21 -1.24 -0.21 -1.26 -4.78 119.66 114.34 2cup s GLN 81 Ca 0.55 1.05 0.08 0.00 0.02 0.00 0.00 55.36 57.05 2cup s GLN 81 Cb -0.53 -3.85 -0.04 0.00 1.00 0.00 0.00 33.01 29.58 2cup s GLN 81 CO 0.63 -1.14 0.04 -0.80 -2.12 0.00 0.00 175.29 171.90 2cup s ASN 82 N 2.49 4.87 -0.24 5.90 0.01 -1.26 -1.63 114.94 125.08 2cup s ASN 82 Ca 0.52 -0.43 0.02 0.00 -0.71 0.00 0.00 52.86 52.26 2cup s ASN 82 Cb -0.13 -1.06 0.05 0.00 0.41 0.00 0.00 41.25 40.52 2cup s ASN 82 CO 0.23 0.04 -0.12 -0.69 -1.51 0.00 0.00 177.10 175.06 2cup s VAL 83 N -1.96 2.01 -0.41 1.60 1.01 0.70 -4.81 120.40 118.54 2cup s VAL 83 Ca 0.30 -1.40 -0.18 0.00 0.00 0.00 0.00 61.98 60.70 2cup s VAL 83 Cb -0.08 -2.08 0.02 0.00 0.00 0.00 0.00 36.38 34.23 2cup s VAL 83 CO 0.20 0.08 0.47 -0.70 0.00 0.00 0.00 175.10 175.15 2cup s GLU 84 N 1.20 3.22 0.00 2.72 2.12 -1.26 -0.33 118.70 126.38 2cup s GLU 84 Ca -0.05 -0.61 0.00 0.00 0.36 0.00 0.00 54.97 54.67 2cup s GLU 84 Cb -0.18 -3.93 0.00 0.00 0.26 0.00 0.00 34.13 30.27 2cup s GLU 84 CO -0.07 -0.83 0.00 0.98 -0.54 0.00 0.00 175.26 174.81 2cup n TYR 85 N 5.70 0.00 -3.16 5.30 9.36 -1.18 -4.86 117.16 128.33 2cup n TYR 85 Ca -0.06 0.00 -0.25 0.00 3.32 0.00 0.00 57.90 60.91 2cup n TYR 85 Cb 0.48 -0.04 -0.05 0.00 -0.63 0.00 0.00 39.34 39.10 2cup n TYR 85 CO 0.00 0.00 0.00 1.63 0.22 0.00 0.00 176.86 178.71 2cup n LYS 86 N -2.24 2.27 0.00 2.98 5.02 -1.26 -4.89 118.16 120.04 2cup n LYS 86 Ca 0.00 -4.31 0.00 0.00 -2.02 0.00 0.00 58.31 51.98 2cup n LYS 86 Cb 0.00 -2.00 0.00 0.00 -0.02 0.00 0.00 35.03 33.01 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 0.38 2.42 3.68 0.72 0.00 -1.26 -4.97 105.19 106.16 2cup n GLY 87 Ca 0.28 -0.06 -0.37 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.76 5.28 0.03 2.61 -4.23 -1.26 -5.07 115.64 112.24 2cup s THR 88 Ca 0.00 0.49 -0.16 0.00 -1.18 0.00 0.00 61.69 60.84 2cup s THR 88 Cb 0.00 -3.63 -0.06 0.00 1.34 0.00 0.00 72.50 70.15 2cup s THR 88 CO 0.00 0.32 0.46 -0.69 -0.54 0.00 0.00 174.62 174.16 2cup s VAL 89 N 1.03 4.94 -0.02 2.29 1.01 -1.26 -3.08 120.40 125.31 2cup s VAL 89 Ca 0.15 0.93 0.05 0.00 0.00 0.00 0.00 61.98 63.10 2cup s VAL 89 Cb -0.14 -3.76 -0.01 0.00 0.00 0.00 0.00 36.38 32.47 2cup s VAL 89 CO 0.06 0.54 -0.16 0.26 0.00 0.00 0.00 175.10 175.80 2cup s TRP 90 N -1.12 1.45 0.06 5.22 0.52 0.56 -2.92 118.94 122.71 2cup s TRP 90 Ca 0.26 -0.31 -0.35 0.00 0.02 0.00 0.00 56.10 55.73 2cup s TRP 90 Cb -0.17 -0.95 -0.14 0.00 -1.15 0.00 0.00 33.47 31.06 2cup s TRP 90 CO 0.15 -0.06 1.61 0.72 0.02 0.00 0.00 176.95 179.40 2cup n HIS 91 N 2.81 2.13 -0.54 -1.98 8.25 -1.26 -0.21 115.22 124.42 2cup n HIS 91 Ca -0.15 0.29 0.42 0.00 -0.26 0.00 0.00 57.72 58.02 2cup n HIS 91 Cb 0.54 -2.53 0.64 0.00 1.12 0.00 0.00 29.99 29.77 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 4.08 0.00 -0.07 -0.41 3.00 -0.64 0.94 118.16 125.06 2cup n LYS 92 Ca 0.19 0.89 -0.09 0.00 -0.00 0.00 0.00 58.31 59.30 2cup n LYS 92 Cb 0.26 -2.09 -0.08 0.00 0.00 0.00 0.00 35.03 33.13 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 0.00 -0.73 3.14 3.32 -1.85 -3.33 116.42 116.96 2cup h ASP 93 Ca 0.74 -0.55 0.18 0.00 0.02 0.00 0.00 57.03 57.42 2cup h ASP 93 Cb 3.07 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 42.58 2cup h ASP 93 CO -0.01 0.87 0.51 0.00 -1.72 0.00 0.00 179.24 178.89 2cup s PHE 95 N -5.19 3.21 0.13 0.00 2.19 -0.07 -4.89 117.98 113.37 2cup s PHE 95 Ca -0.06 -0.23 0.00 0.00 0.33 0.00 0.00 56.93 56.97 2cup s PHE 95 Cb 0.21 -2.64 0.00 0.00 -1.31 0.00 0.00 43.02 39.28 2cup s PHE 95 CO 0.76 -0.48 0.00 0.45 1.83 0.00 0.00 175.22 177.78 2cup n SER 96 N 5.30 0.87 0.00 6.13 2.88 -1.26 -4.78 113.62 122.76 2cup n SER 96 Ca -0.10 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.63 2cup n SER 96 Cb 0.49 -0.21 0.00 0.00 -0.75 0.00 0.00 64.21 63.74 2cup n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2cup n GLY 97 N 3.18 1.29 3.59 0.46 0.00 -1.26 -5.09 105.19 107.35 2cup n GLY 97 Ca 0.00 -0.55 -0.30 0.00 0.00 0.00 0.00 46.02 45.16 2cup n GLY 97 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2cup s PRO 98 N 0.00 -1.36 -0.11 1.61 0.04 -1.26 -5.04 135.00 128.88 2cup s PRO 98 Ca 0.00 -0.11 -0.05 0.00 0.04 0.00 0.00 61.00 60.88 2cup s PRO 98 Cb 0.00 -1.58 -0.05 0.00 0.04 0.00 0.00 34.50 32.91 2cup s PRO 98 CO 0.00 -3.80 -0.13 0.45 0.04 0.00 0.00 177.00 173.56 2cup n SER 99 N -4.81 1.07 -3.38 6.66 2.88 -1.26 -5.04 113.62 109.74 2cup n SER 99 Ca 0.14 0.11 -0.34 0.00 -1.33 0.00 0.00 58.87 57.45 2cup n SER 99 Cb 0.60 -0.30 -0.01 0.00 -0.75 0.00 0.00 64.21 63.75 2cup n SER 99 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 2cup n SER 100 N -3.40 -1.99 0.00 -3.46 2.88 -1.26 -5.26 113.62 101.13 2cup n SER 100 Ca -0.21 0.69 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2cup n SER 100 Cb 0.66 -0.70 0.00 0.00 -0.75 0.00 0.00 64.21 63.42 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42