#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cup h SER 2 N 0.00 0.60 -2.09 1.61 4.64 -2.02 -3.44 113.55 112.85 2cup h SER 2 Ca 0.00 -0.37 -0.64 0.00 -0.47 0.00 0.00 61.79 60.31 2cup h SER 2 Cb 0.00 -0.16 0.08 0.00 -0.31 0.00 0.00 62.40 62.01 2cup h SER 2 CO 0.00 0.84 0.31 -1.20 -0.87 0.00 0.00 176.83 175.91 2cup n SER 3 N -4.46 1.55 -4.93 4.97 7.64 -1.26 -4.39 113.62 112.73 2cup n SER 3 Ca -0.03 1.14 -0.20 0.00 1.01 0.00 0.00 58.87 60.79 2cup n SER 3 Cb 0.33 -1.25 0.05 0.00 -1.01 0.00 0.00 64.21 62.33 2cup n SER 3 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cup s GLY 4 N 0.00 1.81 -0.13 0.23 0.00 -1.23 -4.98 107.32 103.04 2cup s GLY 4 Ca 0.71 -1.75 -0.03 0.00 0.00 0.00 0.00 44.72 43.65 2cup s GLY 4 CO 0.52 -1.37 2.76 1.44 0.00 0.00 0.00 173.10 176.45 2cup n SER 5 N -2.31 5.67 -0.06 1.64 7.64 -1.26 -4.24 113.62 120.70 2cup n SER 5 Ca 0.12 -2.67 -0.06 0.00 1.01 0.00 0.00 58.87 57.27 2cup n SER 5 Cb 0.60 -1.25 -0.02 0.00 -1.01 0.00 0.00 64.21 62.54 2cup n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2cup n SER 6 N 1.60 1.24 -1.54 6.43 7.64 -1.26 -5.12 113.62 122.62 2cup n SER 6 Ca 0.29 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.41 2cup n SER 6 Cb 0.68 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.22 2cup n SER 6 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2cup n GLY 7 N 1.49 -4.26 3.82 0.23 0.00 -1.26 -4.81 105.19 100.41 2cup n GLY 7 Ca -0.09 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.77 2cup n GLY 7 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup n VAL 9 N 0.73 0.26 -0.07 0.00 0.24 -1.11 -2.50 118.33 115.89 2cup n VAL 9 Ca -0.03 -0.44 -0.08 0.00 -2.04 0.00 0.00 64.34 61.76 2cup n VAL 9 Cb 0.51 -0.04 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 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 0.00 -0.15 7.34 4.57 -1.94 -3.37 114.58 121.03 2cup h GLU 10 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2cup h GLU 10 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 2cup h GLU 10 CO 0.00 0.36 0.00 0.00 -1.18 0.00 0.00 179.01 178.19 2cup n ARG 12 N 0.60 -1.93 -4.07 0.00 5.12 -1.04 -4.90 116.66 110.44 2cup n ARG 12 Ca 0.17 0.36 -0.27 0.00 -1.93 0.00 0.00 57.85 56.18 2cup n ARG 12 Cb 0.41 -4.72 -0.06 0.00 -1.16 0.00 0.00 32.46 26.94 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 -3.91 2.91 0.36 5.56 -0.14 -1.24 -4.83 119.74 118.46 2cup s LYS 13 Ca 0.00 -0.83 -0.27 0.00 -1.36 0.00 0.00 55.97 53.51 2cup s LYS 13 Cb 0.00 -2.67 -0.09 0.00 -1.68 0.00 0.00 37.83 33.39 2cup s LYS 13 CO 0.00 0.50 1.21 -1.25 -0.76 0.00 0.00 175.35 175.05 2cup s PRO 14 N -2.98 4.22 0.03 -1.68 0.04 -1.26 -0.25 135.00 133.12 2cup s PRO 14 Ca 0.31 1.96 0.03 0.00 0.04 0.00 0.00 61.00 63.34 2cup s PRO 14 Cb -0.10 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.53 2cup s PRO 14 CO 0.23 -0.21 -0.02 0.42 0.04 0.00 0.00 177.00 177.46 2cup s ILE 15 N -1.28 3.93 0.22 0.56 1.01 -1.26 -4.83 121.20 119.54 2cup s ILE 15 Ca 0.53 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.42 2cup s ILE 15 Cb -0.34 -2.77 0.04 0.00 0.01 0.00 0.00 42.46 39.40 2cup s ILE 15 CO 0.44 0.31 0.30 0.61 0.00 0.00 0.00 174.94 176.60 2cup n GLY 16 N 1.23 1.08 0.13 6.18 0.00 -1.26 -3.49 105.19 109.06 2cup n GLY 16 Ca -0.14 -2.03 -0.21 0.00 0.00 0.00 0.00 46.02 43.64 2cup n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup n ALA 17 N -2.92 1.00 0.11 4.61 0.00 -1.26 -4.22 120.51 117.83 2cup n ALA 17 Ca -0.05 -0.70 0.03 0.00 0.00 0.00 0.00 53.44 52.71 2cup n ALA 17 Cb 0.19 -0.52 0.40 0.00 0.00 0.00 0.00 19.45 19.52 2cup n ALA 17 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2cup h ASP 18 N -0.09 0.24 -3.85 0.00 1.82 -1.97 -3.43 116.42 109.14 2cup h ASP 18 Ca -0.46 -0.04 -0.51 0.00 -0.39 0.00 0.00 57.03 55.63 2cup h ASP 18 Cb 1.92 -0.06 0.03 0.00 0.68 0.00 0.00 39.33 41.90 2cup h ASP 18 CO 0.00 0.37 0.51 -0.94 -1.61 0.00 0.00 179.24 177.58 2cup s SER 19 N -6.87 7.01 -0.68 2.28 1.04 -1.26 -4.96 113.70 110.27 2cup s SER 19 Ca -0.06 2.36 -0.27 0.00 0.48 0.00 0.00 55.95 58.46 2cup s SER 19 Cb 0.16 -2.63 0.02 0.00 0.10 0.00 0.00 66.02 63.67 2cup s SER 19 CO 0.73 -0.33 1.35 -0.54 0.98 0.00 0.00 173.24 175.43 2cup s LYS 20 N -1.72 3.19 0.21 4.02 3.01 -1.26 -4.84 119.74 122.35 2cup s LYS 20 Ca 0.48 0.03 0.02 0.00 -1.01 0.00 0.00 55.97 55.49 2cup s LYS 20 Cb -0.33 -4.17 -0.04 0.00 -1.01 0.00 0.00 37.83 32.29 2cup s LYS 20 CO 0.42 -2.12 0.36 -1.83 0.51 0.00 0.00 175.35 172.70 2cup s GLU 21 N 5.74 3.47 -0.33 1.68 1.03 -1.26 -2.87 118.70 126.15 2cup s GLU 21 Ca 0.42 -0.55 0.01 0.00 0.03 0.00 0.00 54.97 54.89 2cup s GLU 21 Cb -0.09 -2.88 0.09 0.00 -0.80 0.00 0.00 34.13 30.45 2cup s GLU 21 CO 0.19 0.43 0.04 0.08 -1.33 0.00 0.00 175.26 174.67 2cup s VAL 22 N -1.89 2.60 -0.29 1.83 1.01 -0.68 -4.96 120.40 118.02 2cup s VAL 22 Ca 0.36 -1.98 -0.21 0.00 0.00 0.00 0.00 61.98 60.15 2cup s VAL 22 Cb -0.10 -2.74 -0.01 0.00 0.00 0.00 0.00 36.38 33.53 2cup s VAL 22 CO 0.29 -0.42 0.64 -2.28 0.00 0.00 0.00 175.10 173.33 2cup s HIS 23 N 1.05 3.23 -0.06 5.22 5.04 -1.26 -2.23 115.29 126.28 2cup s HIS 23 Ca 0.04 0.66 -0.17 0.00 -1.54 0.00 0.00 55.06 54.04 2cup s HIS 23 Cb -0.20 -2.98 0.04 0.00 0.04 0.00 0.00 32.58 29.48 2cup s HIS 23 CO -0.05 -0.45 0.40 -0.47 -2.34 0.00 0.00 174.74 171.83 2cup s TYR 24 N 2.62 -0.34 -1.66 3.88 5.04 -0.97 -4.91 117.35 121.01 2cup s TYR 24 Ca 0.26 0.67 -0.08 0.00 -2.44 0.00 0.00 57.07 55.48 2cup s TYR 24 Cb -0.15 0.17 0.08 0.00 0.35 0.00 0.00 41.96 42.40 2cup s TYR 24 CO 0.11 -0.38 0.20 1.63 -1.34 0.00 0.00 175.55 175.77 2cup n LYS 25 N 1.68 -0.90 -3.37 4.97 4.76 -1.26 0.19 118.16 124.22 2cup n LYS 25 Ca -0.19 0.11 -0.24 0.00 -2.87 0.00 0.00 58.31 55.12 2cup n LYS 25 Cb 0.56 -3.96 0.05 0.00 -1.84 0.00 0.00 35.03 29.85 2cup n LYS 25 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2cup n ASN 26 N -2.75 -5.93 -3.56 4.39 2.85 -1.26 -4.98 115.26 104.02 2cup n ASN 26 Ca -0.19 -0.45 -0.22 0.00 -0.11 0.00 0.00 54.58 53.61 2cup n ASN 26 Cb 0.62 -4.73 -0.07 0.00 1.24 0.00 0.00 39.78 36.84 2cup n ASN 26 CO 0.00 0.00 0.00 0.54 -2.11 0.00 0.00 177.26 175.69 2cup n ARG 27 N -4.47 0.57 -3.65 1.20 5.12 0.49 -5.14 116.66 110.79 2cup n ARG 27 Ca -0.04 -3.12 -0.03 0.00 -1.93 0.00 0.00 57.85 52.72 2cup n ARG 27 Cb 0.58 1.82 -0.05 0.00 -1.16 0.00 0.00 32.46 33.65 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 -2.99 -1.23 0.01 -1.55 0.08 -1.25 -2.29 117.98 108.76 2cup s PHE 28 Ca 0.21 2.22 0.07 0.00 0.12 0.00 0.00 56.93 59.55 2cup s PHE 28 Cb 0.01 0.73 -0.02 0.00 -0.57 0.00 0.00 43.02 43.17 2cup s PHE 28 CO 0.15 -0.62 -0.21 -1.58 -0.10 0.00 0.00 175.22 172.86 2cup s TRP 29 N 2.57 1.84 0.94 0.36 0.51 -0.95 -2.73 118.94 121.48 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 -1.15 0.16 0.00 -0.81 0.00 0.00 33.47 31.56 2cup s TRP 29 CO -0.19 0.02 1.10 -1.01 -0.51 0.00 0.00 176.95 176.36 2cup s HIS 30 N -0.60 1.91 -0.09 -1.98 3.76 -1.26 -1.69 115.29 115.35 2cup s HIS 30 Ca 0.08 1.48 0.25 0.00 -0.15 0.00 0.00 55.06 56.72 2cup s HIS 30 Cb -0.08 -3.19 1.35 0.00 1.11 0.00 0.00 32.58 31.76 2cup s HIS 30 CO 0.00 -2.75 1.77 0.38 -0.85 0.00 0.00 174.74 173.29 2cup h ASP 31 N -1.82 0.00 0.00 1.40 3.04 -1.90 -0.03 116.42 117.11 2cup h ASP 31 Ca -0.49 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.30 2cup h ASP 31 Cb 1.28 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.57 2cup h ASP 31 CO 0.49 0.00 -0.90 1.07 -2.04 0.00 0.00 179.24 177.86 2cup n THR 32 N -2.39 0.00 -0.05 1.15 5.66 -1.26 -4.63 114.28 112.76 2cup n THR 32 Ca -0.01 -0.25 -0.21 0.00 -3.05 0.00 0.00 64.05 60.53 2cup n THR 32 Cb 0.06 0.69 -0.13 0.00 -1.55 0.00 0.00 70.33 69.40 2cup n THR 32 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2cup n PHE 34 N -4.18 1.92 -3.79 0.00 7.35 -0.18 -4.88 117.46 113.71 2cup n PHE 34 Ca -0.28 -0.11 -0.04 0.00 -0.76 0.00 0.00 57.45 56.27 2cup n PHE 34 Cb 0.77 -2.72 -0.00 0.00 0.35 0.00 0.00 39.48 37.88 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 6.51 1.27 0.94 -4.13 1.70 -1.26 -3.57 118.95 120.40 2cup s ARG 35 Ca 1.01 -0.74 -0.11 0.00 -0.47 0.00 0.00 55.73 55.41 2cup s ARG 35 Cb -0.32 0.41 0.15 0.00 -0.57 0.00 0.00 34.95 34.61 2cup s ARG 35 CO 0.35 -0.59 1.09 0.00 -1.08 0.00 0.00 175.30 175.07 2cup n ALA 37 N -4.09 3.59 -0.11 0.00 0.00 -1.13 -3.25 120.51 115.52 2cup n ALA 37 Ca 0.07 -0.35 -0.19 0.00 0.00 0.00 0.00 53.44 52.97 2cup n ALA 37 Cb 0.54 -0.45 -0.09 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.32 0.50 -0.01 0.00 5.02 -1.26 -4.67 118.16 116.42 2cup n LYS 38 Ca 0.02 0.16 0.08 0.00 -2.02 0.00 0.00 58.31 56.56 2cup n LYS 38 Cb 0.20 -1.37 -0.12 0.00 -0.02 0.00 0.00 35.03 33.72 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 -1.96 -3.39 -4.47 0.00 4.77 -1.20 -4.96 117.00 105.78 2cup n LEU 40 Ca -0.02 -0.42 -0.33 0.00 -0.03 0.00 0.00 56.01 55.20 2cup n LEU 40 Cb 0.41 -2.30 -0.13 0.00 -2.33 0.00 0.00 43.42 39.07 2cup n LEU 40 CO 0.35 0.26 -0.43 -2.28 -1.33 0.00 0.00 177.39 173.96 2cup s HIS 41 N -3.25 2.81 -0.12 -1.77 2.46 -1.26 -4.68 115.29 109.48 2cup s HIS 41 Ca 0.00 -0.28 -0.29 0.00 0.47 0.00 0.00 55.06 54.96 2cup s HIS 41 Cb -0.00 -1.74 -0.04 0.00 -0.13 0.00 0.00 32.58 30.67 2cup s HIS 41 CO 0.50 0.08 1.54 -1.25 -2.47 0.00 0.00 174.74 173.14 2cup s PRO 42 N -0.33 4.11 -0.46 2.88 0.04 -1.26 0.39 135.00 140.37 2cup s PRO 42 Ca 0.04 1.93 0.02 0.00 0.04 0.00 0.00 61.00 63.03 2cup s PRO 42 Cb -0.13 -3.94 0.56 0.00 0.04 0.00 0.00 34.50 31.04 2cup s PRO 42 CO 0.02 -0.90 1.89 1.28 0.04 0.00 0.00 177.00 179.33 2cup n LEU 43 N 7.27 6.71 -0.01 -3.56 7.99 -1.23 -4.60 117.00 129.56 2cup n LEU 43 Ca 0.17 -3.61 -0.10 0.00 -0.01 0.00 0.00 56.01 52.46 2cup n LEU 43 Cb 0.44 -0.86 -0.04 0.00 -0.11 0.00 0.00 43.42 42.85 2cup n LEU 43 CO 0.61 1.11 0.84 0.00 -1.51 0.00 0.00 177.39 178.45 2cup h ALA 44 N 1.29 0.09 -0.01 -1.18 0.00 -1.91 -3.13 119.26 114.41 2cup h ALA 44 Ca 0.58 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.54 2cup h ALA 44 Cb 2.25 0.10 0.00 0.00 0.00 0.00 0.00 17.79 20.14 2cup h ALA 44 CO 1.13 -0.48 -0.15 0.09 0.00 0.00 0.00 179.25 179.83 2cup n ASN 45 N -5.16 1.68 -4.97 0.00 3.02 -1.26 -5.00 115.26 103.57 2cup n ASN 45 Ca -0.04 -1.34 -0.18 0.00 -0.03 0.00 0.00 54.58 52.99 2cup n ASN 45 Cb 0.09 0.28 -0.00 0.00 -0.61 0.00 0.00 39.78 39.53 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 -1.39 2.82 0.20 3.52 8.01 -1.18 -5.11 118.70 125.57 2cup s GLU 46 Ca 0.13 -1.26 -0.10 0.00 0.01 0.00 0.00 54.97 53.75 2cup s GLU 46 Cb 0.11 -2.68 -0.07 0.00 -4.31 0.00 0.00 34.13 27.17 2cup s GLU 46 CO 0.26 -0.17 0.52 0.99 0.01 0.00 0.00 175.26 176.86 2cup s THR 47 N -2.34 4.96 0.35 3.63 2.01 -1.26 -4.79 115.64 118.20 2cup s THR 47 Ca 0.51 0.47 0.06 0.00 0.31 0.00 0.00 61.69 63.04 2cup s THR 47 Cb -0.08 -3.63 -0.03 0.00 0.01 0.00 0.00 72.50 68.76 2cup s THR 47 CO 0.31 -0.00 0.23 0.72 -0.69 0.00 0.00 174.62 175.19 2cup s PHE 48 N -1.73 1.75 -0.01 4.92 -0.71 -1.26 -4.28 117.98 116.65 2cup s PHE 48 Ca 0.45 -1.56 0.00 0.00 -1.04 0.00 0.00 56.93 54.79 2cup s PHE 48 Cb -0.12 -0.84 0.01 0.00 -1.21 0.00 0.00 43.02 40.87 2cup s PHE 48 CO 0.21 -0.71 -0.00 0.08 -1.34 0.00 0.00 175.22 173.46 2cup s VAL 49 N -3.40 0.11 -0.40 -2.49 1.01 0.11 -4.94 120.40 110.40 2cup s VAL 49 Ca 0.36 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 62.21 2cup s VAL 49 Cb 0.02 -0.16 0.02 0.00 0.00 0.00 0.00 36.38 36.27 2cup s VAL 49 CO 0.23 0.08 0.29 0.00 0.00 0.00 0.00 175.10 175.70 2cup s ALA 50 N 0.45 3.46 0.01 5.51 0.00 -1.26 -2.09 121.76 127.84 2cup s ALA 50 Ca -0.04 -1.71 -0.02 0.00 0.00 0.00 0.00 51.96 50.19 2cup s ALA 50 Cb -0.07 -2.85 -0.01 0.00 0.00 0.00 0.00 23.12 20.19 2cup s ALA 50 CO -0.01 -1.44 0.01 0.15 0.00 0.00 0.00 175.76 174.47 2cup s LYS 51 N 1.67 0.33 -1.64 0.00 1.02 -0.93 -4.87 119.74 115.31 2cup s LYS 51 Ca 0.05 -0.53 -0.09 0.00 0.02 0.00 0.00 55.97 55.42 2cup s LYS 51 Cb -0.19 0.13 0.08 0.00 -0.52 0.00 0.00 37.83 37.33 2cup s LYS 51 CO 0.10 -0.06 0.30 -0.25 -0.92 0.00 0.00 175.35 174.52 2cup n ASP 52 N 1.64 -0.43 -4.16 2.83 9.92 -1.26 0.77 116.55 125.86 2cup n ASP 52 Ca -0.23 -1.21 -0.33 0.00 -0.53 0.00 0.00 54.79 52.49 2cup n ASP 52 Cb 0.55 -1.91 -0.03 0.00 -0.64 0.00 0.00 41.12 39.10 2cup n ASP 52 CO 0.00 0.00 0.00 -3.20 0.13 0.00 0.00 177.20 174.13 2cup n ASN 53 N -2.76 -2.55 -3.80 -2.24 2.85 -1.26 -4.94 115.26 100.56 2cup n ASN 53 Ca -0.16 -1.01 -0.13 0.00 -0.11 0.00 0.00 54.58 53.17 2cup n ASN 53 Cb 0.61 -2.83 -0.12 0.00 1.24 0.00 0.00 39.78 38.67 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 -6.85 0.22 -0.11 1.20 1.02 0.23 -5.14 119.74 110.31 2cup s LYS 54 Ca 0.55 0.29 -0.22 0.00 0.02 0.00 0.00 55.97 56.60 2cup s LYS 54 Cb -0.30 0.09 -0.03 0.00 -0.52 0.00 0.00 37.83 37.07 2cup s LYS 54 CO 0.92 -0.04 0.67 0.42 -0.92 0.00 0.00 175.35 176.40 2cup s ILE 55 N 0.21 5.04 0.03 2.17 -1.09 -1.26 -2.20 121.20 124.10 2cup s ILE 55 Ca -0.01 1.34 -0.04 0.00 -2.23 0.00 0.00 60.65 59.72 2cup s ILE 55 Cb -0.02 -4.00 -0.02 0.00 -1.58 0.00 0.00 42.46 36.84 2cup s ILE 55 CO -0.00 0.21 0.06 -0.76 -1.23 0.00 0.00 174.94 173.21 2cup s LEU 56 N 1.15 1.95 0.50 2.97 1.43 -0.89 -2.84 118.68 122.95 2cup s LEU 56 Ca 0.34 -0.55 0.05 0.00 -1.03 0.00 0.00 54.13 52.95 2cup s LEU 56 Cb -0.17 0.45 0.03 0.00 0.03 0.00 0.00 46.19 46.54 2cup s LEU 56 CO 0.15 -0.46 0.69 0.00 0.23 0.00 0.00 176.35 176.96 2cup h ASN 58 N 0.33 -0.10 -0.89 0.00 2.35 -1.93 0.95 115.58 116.28 2cup h ASN 58 Ca -0.40 0.01 0.23 0.00 -0.55 0.00 0.00 56.30 55.59 2cup h ASN 58 Cb 1.29 0.03 -0.13 0.00 0.05 0.00 0.00 38.32 39.56 2cup h ASN 58 CO 0.47 -0.06 0.35 0.11 -1.65 0.00 0.00 177.43 176.65 2cup h LYS 59 N -0.10 0.32 0.12 0.81 1.57 -1.95 -0.02 116.57 117.32 2cup h LYS 59 Ca -0.00 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 2cup h LYS 59 Cb 0.09 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.33 2cup h LYS 59 CO 0.00 0.21 -0.06 0.00 -0.57 0.00 0.00 179.45 179.03 2cup h THR 61 N -0.60 0.01 -2.32 0.00 1.35 -0.55 -3.41 112.91 107.39 2cup h THR 61 Ca -0.02 0.00 -0.62 0.00 -0.55 0.00 0.00 66.41 65.23 2cup h THR 61 Cb 0.13 0.01 0.10 0.00 -1.73 0.00 0.00 68.15 66.66 2cup h THR 61 CO 0.03 0.00 0.17 0.41 -0.25 0.00 0.00 175.52 175.88 2cup n THR 62 N -3.40 1.69 -1.70 6.82 -1.04 -0.05 -4.85 114.28 111.75 2cup n THR 62 Ca 0.28 -0.42 -0.42 0.00 -2.04 0.00 0.00 64.05 61.44 2cup n THR 62 Cb 1.63 -0.96 -0.00 0.00 -1.82 0.00 0.00 70.33 69.18 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 1.03 2.13 -3.83 -2.82 1.85 -1.26 -4.99 116.66 108.77 2cup n ARG 63 Ca 0.11 0.75 -0.09 0.00 -1.00 0.00 0.00 57.85 57.61 2cup n ARG 63 Cb 0.30 -2.34 0.02 0.00 -1.05 0.00 0.00 32.46 29.39 2cup n ARG 63 CO 0.00 0.00 0.00 -1.83 -0.01 0.00 0.00 177.63 175.79 2cup s GLU 64 N -1.91 2.24 -0.71 2.89 4.04 -1.26 -5.05 118.70 118.94 2cup s GLU 64 Ca 0.56 -1.50 -0.28 0.00 0.04 0.00 0.00 54.97 53.79 2cup s GLU 64 Cb -0.56 0.61 -0.29 0.00 0.02 0.00 0.00 34.13 33.91 2cup s GLU 64 CO 0.62 -1.04 1.93 -0.40 -1.84 0.00 0.00 175.26 174.53 2cup n ASP 65 N -1.47 1.22 -4.40 0.83 5.68 -1.26 -4.84 116.55 112.30 2cup n ASP 65 Ca -0.08 -2.49 -0.26 0.00 -0.50 0.00 0.00 54.79 51.46 2cup n ASP 65 Cb 0.60 -1.30 -0.12 0.00 -1.14 0.00 0.00 41.12 39.16 2cup n ASP 65 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 2cup s SER 66 N 8.01 3.27 1.05 -1.12 1.04 -1.26 -5.11 113.70 119.57 2cup s SER 66 Ca 0.77 -0.85 -0.14 0.00 0.48 0.00 0.00 55.95 56.21 2cup s SER 66 Cb 0.02 -0.23 0.21 0.00 0.10 0.00 0.00 66.02 66.12 2cup s SER 66 CO 0.25 0.10 1.10 -2.16 0.98 0.00 0.00 173.24 173.50 2cup s PRO 67 N -2.62 0.02 0.20 4.02 0.04 -1.24 -4.83 135.00 130.59 2cup s PRO 67 Ca 0.19 0.38 0.04 0.00 0.04 0.00 0.00 61.00 61.64 2cup s PRO 67 Cb -0.08 -1.70 -0.05 0.00 0.04 0.00 0.00 34.50 32.71 2cup s PRO 67 CO 0.09 -2.97 -0.03 -1.59 0.04 0.00 0.00 177.00 172.53 2cup s LYS 68 N -5.05 1.23 0.34 4.56 -2.85 -1.26 0.48 119.74 117.19 2cup s LYS 68 Ca 0.67 -1.59 0.08 0.00 -1.00 0.00 0.00 55.97 54.12 2cup s LYS 68 Cb -0.17 -0.58 -0.03 0.00 -2.06 0.00 0.00 37.83 34.98 2cup s LYS 68 CO 0.57 -0.05 0.23 0.00 0.10 0.00 0.00 175.35 176.20 2cup n LYS 70 N -1.27 1.33 0.01 0.00 3.00 -1.26 -3.22 118.16 116.75 2cup n LYS 70 Ca -0.02 -0.05 -0.18 0.00 -0.00 0.00 0.00 58.31 58.05 2cup n LYS 70 Cb 0.60 -1.23 -0.10 0.00 0.00 0.00 0.00 35.03 34.30 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 1.78 0.68 0.00 3.14 0.00 -1.93 -3.36 103.07 103.38 2cup h GLY 71 Ca -0.11 -1.12 0.00 0.00 0.00 0.00 0.00 47.33 46.10 2cup h GLY 71 CO 0.01 0.99 -1.00 0.00 0.00 0.00 0.00 176.54 176.54 2cup n PHE 73 N -1.56 -1.63 -4.18 0.00 3.72 -1.20 -5.03 117.46 107.58 2cup n PHE 73 Ca -0.00 0.68 -0.17 0.00 -0.05 0.00 0.00 57.45 57.91 2cup n PHE 73 Cb 0.17 -4.19 -0.11 0.00 -0.94 0.00 0.00 39.48 34.41 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 -4.88 0.86 -0.27 -1.08 -0.14 -1.26 -4.85 119.74 108.13 2cup s LYS 74 Ca 0.04 -1.08 -0.28 0.00 -1.36 0.00 0.00 55.97 53.29 2cup s LYS 74 Cb -0.01 -0.71 -0.04 0.00 -1.68 0.00 0.00 37.83 35.40 2cup s LYS 74 CO 0.54 0.14 2.05 0.00 -0.76 0.00 0.00 175.35 177.31 2cup s ALA 75 N -1.90 2.76 0.15 5.17 0.00 -1.26 -0.65 121.76 126.04 2cup s ALA 75 Ca 0.03 0.55 -0.30 0.00 0.00 0.00 0.00 51.96 52.23 2cup s ALA 75 Cb -0.06 -4.06 -0.08 0.00 0.00 0.00 0.00 23.12 18.92 2cup s ALA 75 CO 0.02 -2.77 1.30 0.42 0.00 0.00 0.00 175.76 174.72 2cup s ILE 76 N 7.82 3.42 0.28 0.00 1.01 0.18 -4.91 121.20 128.99 2cup s ILE 76 Ca 0.92 1.10 -0.23 0.00 0.00 0.00 0.00 60.65 62.44 2cup s ILE 76 Cb -0.28 -3.70 -0.09 0.00 0.01 0.00 0.00 42.46 38.39 2cup s ILE 76 CO 0.34 0.13 0.85 -0.69 0.00 0.00 0.00 174.94 175.58 2cup s VAL 77 N 0.50 4.36 0.08 2.92 1.01 -1.26 -3.67 120.40 124.33 2cup s VAL 77 Ca 0.59 1.61 -0.32 0.00 0.00 0.00 0.00 61.98 63.85 2cup s VAL 77 Cb -0.35 -3.95 -0.17 0.00 0.00 0.00 0.00 36.38 31.91 2cup s VAL 77 CO 0.34 0.17 1.62 0.00 0.00 0.00 0.00 175.10 177.24 2cup h ALA 78 N 3.29 -0.87 -0.03 5.51 0.00 -1.97 -2.80 119.26 122.39 2cup h ALA 78 Ca -0.47 -0.18 -0.09 0.00 0.00 0.00 0.00 54.91 54.17 2cup h ALA 78 Cb 1.19 0.40 -0.03 0.00 0.00 0.00 0.00 17.79 19.35 2cup h ALA 78 CO 0.65 -1.00 -0.12 0.41 0.00 0.00 0.00 179.25 179.19 2cup n GLY 79 N -1.48 2.78 3.26 0.00 0.00 -1.26 -4.82 105.19 103.67 2cup n GLY 79 Ca -0.12 -0.52 -0.14 0.00 0.00 0.00 0.00 46.02 45.23 2cup n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2cup s ASP 80 N 1.89 1.48 -0.07 1.61 1.11 -1.06 -5.12 116.67 116.51 2cup s ASP 80 Ca 0.27 -1.14 -0.30 0.00 0.18 0.00 0.00 52.55 51.56 2cup s ASP 80 Cb 0.13 0.06 -0.03 0.00 1.07 0.00 0.00 42.92 44.16 2cup s ASP 80 CO -0.01 -0.50 1.17 -1.10 1.18 0.00 0.00 175.17 175.91 2cup s GLN 81 N -3.86 4.36 0.07 8.23 -0.21 -1.26 -4.93 119.66 122.05 2cup s GLN 81 Ca 0.23 1.62 -0.05 0.00 0.02 0.00 0.00 55.36 57.18 2cup s GLN 81 Cb 0.05 -3.57 -0.02 0.00 1.00 0.00 0.00 33.01 30.47 2cup s GLN 81 CO 0.04 -0.44 0.08 0.54 -2.12 0.00 0.00 175.29 173.39 2cup s ASN 82 N 1.43 0.30 -0.24 5.90 2.20 -1.26 -3.19 114.94 120.09 2cup s ASN 82 Ca 0.54 -0.83 0.00 0.00 -0.94 0.00 0.00 52.86 51.63 2cup s ASN 82 Cb -0.23 0.27 0.07 0.00 -2.00 0.00 0.00 41.25 39.36 2cup s ASN 82 CO 0.20 -0.67 -0.01 -0.69 -2.94 0.00 0.00 177.10 173.00 2cup s VAL 83 N -3.89 1.30 -0.21 3.54 1.01 0.49 -4.65 120.40 117.98 2cup s VAL 83 Ca 0.06 -1.19 -0.11 0.00 0.00 0.00 0.00 61.98 60.74 2cup s VAL 83 Cb 0.06 -1.69 -0.05 0.00 0.00 0.00 0.00 36.38 34.70 2cup s VAL 83 CO -0.10 -0.23 0.17 -0.70 0.00 0.00 0.00 175.10 174.24 2cup s GLU 84 N 1.48 4.14 0.00 2.72 2.12 -1.26 0.18 118.70 128.08 2cup s GLU 84 Ca -0.02 -0.19 0.00 0.00 0.36 0.00 0.00 54.97 55.12 2cup s GLU 84 Cb -0.18 -3.48 0.00 0.00 0.26 0.00 0.00 34.13 30.73 2cup s GLU 84 CO -0.09 0.17 0.00 0.98 -0.54 0.00 0.00 175.26 175.78 2cup n TYR 85 N 3.93 0.00 -3.64 5.30 9.36 -1.11 -4.98 117.16 126.02 2cup n TYR 85 Ca -0.15 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.78 2cup n TYR 85 Cb 0.52 0.00 -0.12 0.00 -0.63 0.00 0.00 39.34 39.11 2cup n TYR 85 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 2cup s LYS 86 N -0.21 1.19 0.00 2.98 1.02 -1.26 -4.89 119.74 118.57 2cup s LYS 86 Ca 0.00 -2.00 0.00 0.00 0.02 0.00 0.00 55.97 53.99 2cup s LYS 86 Cb 0.00 -2.10 0.00 0.00 -0.52 0.00 0.00 37.83 35.21 2cup s LYS 86 CO 0.00 -1.21 0.00 0.41 -0.92 0.00 0.00 175.35 173.63 2cup n GLY 87 N 3.42 0.92 3.55 -3.33 0.00 -1.26 -4.90 105.19 103.59 2cup n GLY 87 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 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 4.49 -0.20 2.61 -4.23 -1.26 -5.09 115.64 111.96 2cup s THR 88 Ca 0.00 -0.13 -0.04 0.00 -1.18 0.00 0.00 61.69 60.34 2cup s THR 88 Cb 0.00 -3.04 -0.01 0.00 1.34 0.00 0.00 72.50 70.78 2cup s THR 88 CO 0.00 0.42 -0.04 0.54 -0.54 0.00 0.00 174.62 175.00 2cup s VAL 89 N 0.82 3.49 -0.08 2.29 0.11 -1.26 -2.77 120.40 123.00 2cup s VAL 89 Ca 0.03 -0.47 -0.03 0.00 -2.93 0.00 0.00 61.98 58.58 2cup s VAL 89 Cb -0.14 -2.57 -0.04 0.00 -1.53 0.00 0.00 36.38 32.11 2cup s VAL 89 CO 0.02 0.44 0.06 0.26 -3.33 0.00 0.00 175.10 172.56 2cup s TRP 90 N 1.14 3.33 0.97 1.54 0.52 0.48 -4.17 118.94 122.75 2cup s TRP 90 Ca 0.02 0.30 -0.14 0.00 0.02 0.00 0.00 56.10 56.30 2cup s TRP 90 Cb -0.15 -1.83 -0.01 0.00 -1.15 0.00 0.00 33.47 30.34 2cup s TRP 90 CO -0.00 0.57 0.08 0.72 0.02 0.00 0.00 176.95 178.34 2cup n HIS 91 N 1.90 -2.43 0.43 -1.98 8.25 -1.26 0.18 115.22 120.32 2cup n HIS 91 Ca -0.18 0.16 0.05 0.00 -0.26 0.00 0.00 57.72 57.49 2cup n HIS 91 Cb 0.54 -1.69 0.24 0.00 1.12 0.00 0.00 29.99 30.20 2cup n HIS 91 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2cup n LYS 92 N -0.61 0.11 -0.04 -0.41 4.76 -1.19 -1.59 118.16 119.19 2cup n LYS 92 Ca 0.04 0.23 -0.03 0.00 -2.87 0.00 0.00 58.31 55.68 2cup n LYS 92 Cb 0.54 -1.50 -0.08 0.00 -1.84 0.00 0.00 35.03 32.15 2cup n LYS 92 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 2cup n ASP 93 N -1.33 2.43 0.09 4.39 -0.08 -1.26 -4.60 116.55 116.18 2cup n ASP 93 Ca 0.04 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.11 2cup n ASP 93 Cb 0.08 0.92 -0.12 0.00 2.34 0.00 0.00 41.12 44.34 2cup n ASP 93 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2cup s PHE 95 N -3.00 2.13 -0.37 0.00 2.19 -0.62 -4.89 117.98 113.42 2cup s PHE 95 Ca -0.09 -0.02 0.02 0.00 0.33 0.00 0.00 56.93 57.16 2cup s PHE 95 Cb 0.06 -4.31 0.11 0.00 -1.31 0.00 0.00 43.02 37.57 2cup s PHE 95 CO 0.93 -1.78 0.14 -1.12 1.83 0.00 0.00 175.22 175.22 2cup s SER 96 N 6.63 4.12 -0.68 6.13 0.01 -1.26 -4.96 113.70 123.69 2cup s SER 96 Ca 0.60 -2.15 -0.35 0.00 1.31 0.00 0.00 55.95 55.36 2cup s SER 96 Cb -0.03 -1.15 -0.19 0.00 0.21 0.00 0.00 66.02 64.85 2cup s SER 96 CO -0.03 -0.35 2.24 0.61 0.41 0.00 0.00 173.24 176.12 2cup n GLY 97 N 4.20 -0.29 3.77 3.44 0.00 -1.26 -4.86 105.19 110.18 2cup n GLY 97 Ca 0.03 1.06 -0.31 0.00 0.00 0.00 0.00 46.02 46.80 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 6.90 2.30 0.35 1.61 0.04 -1.26 -5.07 135.00 139.87 2cup s PRO 98 Ca 1.19 1.19 -0.01 0.00 0.04 0.00 0.00 61.00 63.41 2cup s PRO 98 Cb -1.29 -1.90 -0.00 0.00 0.04 0.00 0.00 34.50 31.35 2cup s PRO 98 CO 0.54 -1.61 0.46 0.45 0.04 0.00 0.00 177.00 176.88 2cup s SER 99 N -3.32 1.08 0.19 6.66 0.15 -1.26 -5.18 113.70 112.02 2cup s SER 99 Ca 0.62 -1.55 0.10 0.00 0.70 0.00 0.00 55.95 55.81 2cup s SER 99 Cb -0.17 0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2cup s SER 99 CO 0.55 -1.29 -0.19 -0.55 1.20 0.00 0.00 173.24 172.95 2cup s SER 100 N -3.27 2.97 0.00 5.45 0.15 -1.26 -5.32 113.70 112.42 2cup s SER 100 Ca 0.32 -0.90 0.00 0.00 0.70 0.00 0.00 55.95 56.07 2cup s SER 100 Cb -0.00 -0.20 0.00 0.00 -1.71 0.00 0.00 66.02 64.11 2cup s SER 100 CO 0.22 -0.00 0.26 0.61 1.20 0.00 0.00 173.24 175.53