#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 6.47 -0.98 1.61 0.15 -1.26 -4.96 113.70 114.73 2cup s SER 2 Ca 0.00 0.09 -0.06 0.00 0.70 0.00 0.00 55.95 56.68 2cup s SER 2 Cb 0.00 -2.52 0.24 0.00 -1.71 0.00 0.00 66.02 62.04 2cup s SER 2 CO 0.00 -1.35 0.92 -0.55 1.20 0.00 0.00 173.24 173.46 2cup s SER 3 N 2.77 6.62 -0.15 5.45 0.15 -1.26 -5.01 113.70 122.27 2cup s SER 3 Ca 0.41 -3.57 0.01 0.00 0.70 0.00 0.00 55.95 53.50 2cup s SER 3 Cb -0.09 -2.06 0.02 0.00 -1.71 0.00 0.00 66.02 62.18 2cup s SER 3 CO 0.26 -0.26 -0.15 -0.83 1.20 0.00 0.00 173.24 173.45 2cup s GLY 4 N 0.70 1.17 -0.13 9.45 0.00 -1.26 -5.02 107.32 112.23 2cup s GLY 4 Ca 0.28 -0.94 -0.13 0.00 0.00 0.00 0.00 44.72 43.93 2cup s GLY 4 CO -0.10 0.44 -0.25 -1.26 0.00 0.00 0.00 173.10 171.93 2cup n SER 5 N 4.66 1.40 -4.53 1.64 2.88 -1.26 -4.88 113.62 113.53 2cup n SER 5 Ca -0.18 0.24 -0.40 0.00 -1.33 0.00 0.00 58.87 57.20 2cup n SER 5 Cb 0.50 -0.67 -0.06 0.00 -0.75 0.00 0.00 64.21 63.24 2cup n SER 5 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 2cup n SER 6 N -3.91 2.05 -3.81 -3.46 7.64 -1.26 -4.89 113.62 105.98 2cup n SER 6 Ca -0.10 -0.17 -0.25 0.00 1.01 0.00 0.00 58.87 59.36 2cup n SER 6 Cb 0.37 -1.42 -0.07 0.00 -1.01 0.00 0.00 64.21 62.08 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 6.15 3.25 3.89 0.23 0.00 -1.26 -2.73 105.19 114.72 2cup n GLY 7 Ca 0.42 -2.11 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 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 0.44 0.00 -0.07 0.00 0.24 -1.03 -2.60 118.33 115.30 2cup n VAL 9 Ca -0.05 -0.03 -0.08 0.00 -2.04 0.00 0.00 64.34 62.15 2cup n VAL 9 Cb 0.52 0.82 -0.05 0.00 -1.47 0.00 0.00 33.84 33.66 2cup n VAL 9 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2cup h GLU 10 N 0.25 0.00 -0.49 7.34 4.39 -1.95 -3.38 114.58 120.73 2cup h GLU 10 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2cup h GLU 10 Cb 0.52 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.17 2cup h GLU 10 CO 0.00 0.34 0.00 0.00 -1.16 0.00 0.00 179.01 178.19 2cup n ARG 12 N 0.65 -1.18 -4.20 0.00 3.00 -1.07 -4.90 116.66 108.95 2cup n ARG 12 Ca 0.21 0.11 -0.25 0.00 -0.01 0.00 0.00 57.85 57.91 2cup n ARG 12 Cb 0.76 -4.66 -0.07 0.00 0.00 0.00 0.00 32.46 28.49 2cup n ARG 12 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2cup s LYS 13 N -6.77 2.49 0.38 5.56 -0.14 -1.24 -4.85 119.74 115.17 2cup s LYS 13 Ca 0.66 -1.15 -0.26 0.00 -1.36 0.00 0.00 55.97 53.86 2cup s LYS 13 Cb -0.39 -2.36 -0.09 0.00 -1.68 0.00 0.00 37.83 33.31 2cup s LYS 13 CO 0.82 0.43 1.20 -1.25 -0.76 0.00 0.00 175.35 175.78 2cup s PRO 14 N -3.25 4.16 0.01 -1.68 0.04 -1.26 -0.16 135.00 132.85 2cup s PRO 14 Ca 0.29 1.93 0.04 0.00 0.04 0.00 0.00 61.00 63.30 2cup s PRO 14 Cb -0.08 -2.81 -0.03 0.00 0.04 0.00 0.00 34.50 31.61 2cup s PRO 14 CO 0.20 -0.25 -0.08 0.42 0.04 0.00 0.00 177.00 177.32 2cup s ILE 15 N -1.32 3.52 0.60 0.56 1.01 -1.11 -4.82 121.20 119.64 2cup s ILE 15 Ca 0.54 -0.82 0.03 0.00 0.00 0.00 0.00 60.65 60.40 2cup s ILE 15 Cb -0.33 -2.52 0.11 0.00 0.01 0.00 0.00 42.46 39.73 2cup s ILE 15 CO 0.42 0.40 0.82 0.61 0.00 0.00 0.00 174.94 177.19 2cup n GLY 16 N 1.59 1.14 0.13 6.18 0.00 -1.26 -4.86 105.19 108.11 2cup n GLY 16 Ca -0.16 -2.09 -0.21 0.00 0.00 0.00 0.00 46.02 43.55 2cup n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2cup h ALA 17 N -0.31 0.24 -0.00 4.61 0.00 -2.00 -3.35 119.26 118.44 2cup h ALA 17 Ca -0.27 -1.16 -0.09 0.00 0.00 0.00 0.00 54.91 53.38 2cup h ALA 17 Cb 1.09 0.55 -0.01 0.00 0.00 0.00 0.00 17.79 19.42 2cup h ALA 17 CO 0.33 0.91 -0.43 -0.44 0.00 0.00 0.00 179.25 179.61 2cup h ASP 18 N -0.31 0.00 -3.25 0.00 3.32 -2.06 -3.44 116.42 110.69 2cup h ASP 18 Ca -0.33 -0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.19 2cup h ASP 18 Cb 1.77 -0.00 0.04 0.00 0.22 0.00 0.00 39.33 41.35 2cup h ASP 18 CO 0.03 0.43 0.71 -0.44 -1.72 0.00 0.00 179.24 178.26 2cup s SER 19 N -6.91 6.80 -0.47 6.45 0.01 -1.26 -4.91 113.70 113.41 2cup s SER 19 Ca -0.02 2.46 -0.27 0.00 1.31 0.00 0.00 55.95 59.43 2cup s SER 19 Cb 0.14 -2.61 -0.03 0.00 0.21 0.00 0.00 66.02 63.73 2cup s SER 19 CO 0.74 -0.62 2.01 -0.54 0.41 0.00 0.00 173.24 175.23 2cup s LYS 20 N 0.21 2.75 0.21 12.44 1.02 -1.26 -4.79 119.74 130.31 2cup s LYS 20 Ca 0.60 1.17 0.06 0.00 0.02 0.00 0.00 55.97 57.82 2cup s LYS 20 Cb -0.38 -4.38 -0.04 0.00 -0.52 0.00 0.00 37.83 32.51 2cup s LYS 20 CO 0.37 -2.56 0.14 -1.83 -0.92 0.00 0.00 175.35 170.55 2cup s GLU 21 N 6.87 2.83 -0.30 1.68 1.03 -1.26 -2.40 118.70 127.15 2cup s GLU 21 Ca 0.81 -1.00 0.03 0.00 0.03 0.00 0.00 54.97 54.84 2cup s GLU 21 Cb -0.18 -2.56 0.08 0.00 -0.80 0.00 0.00 34.13 30.67 2cup s GLU 21 CO 0.27 0.44 -0.00 0.08 -1.33 0.00 0.00 175.26 174.72 2cup s VAL 22 N -1.94 1.98 -0.38 1.83 1.01 -0.97 -4.97 120.40 116.96 2cup s VAL 22 Ca 0.31 -1.88 -0.22 0.00 0.00 0.00 0.00 61.98 60.20 2cup s VAL 22 Cb -0.09 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.97 2cup s VAL 22 CO 0.23 -0.38 0.71 -2.28 0.00 0.00 0.00 175.10 173.38 2cup s HIS 23 N 1.11 3.11 -0.16 5.22 5.04 -1.26 -2.34 115.29 126.01 2cup s HIS 23 Ca 0.03 0.36 -0.13 0.00 -1.54 0.00 0.00 55.06 53.78 2cup s HIS 23 Cb -0.19 -3.31 0.04 0.00 0.04 0.00 0.00 32.58 29.16 2cup s HIS 23 CO -0.09 -0.73 0.41 -0.47 -2.34 0.00 0.00 174.74 171.52 2cup s TYR 24 N 2.92 -0.48 -1.43 3.88 5.04 -0.60 -4.91 117.35 121.77 2cup s TYR 24 Ca 0.27 1.13 -0.09 0.00 -2.44 0.00 0.00 57.07 55.95 2cup s TYR 24 Cb -0.14 0.18 0.05 0.00 0.35 0.00 0.00 41.96 42.40 2cup s TYR 24 CO 0.17 -0.25 0.95 1.63 -1.34 0.00 0.00 175.55 176.71 2cup n LYS 25 N 3.21 -5.87 -2.16 4.97 5.02 -1.26 -0.59 118.16 121.48 2cup n LYS 25 Ca -0.16 0.66 -0.20 0.00 -2.02 0.00 0.00 58.31 56.59 2cup n LYS 25 Cb 0.57 -5.50 -0.03 0.00 -0.02 0.00 0.00 35.03 30.04 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 -2.94 -5.63 -4.24 4.39 3.02 -1.26 -4.96 115.26 103.65 2cup n ASN 26 Ca -0.07 0.15 -0.26 0.00 -0.03 0.00 0.00 54.58 54.37 2cup n ASN 26 Cb 0.58 -4.77 -0.08 0.00 -0.61 0.00 0.00 39.78 34.89 2cup n ASN 26 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 2cup s ARG 27 N -4.64 1.93 -0.14 3.52 0.52 0.24 -5.15 118.95 115.22 2cup s ARG 27 Ca 0.00 -2.17 -0.08 0.00 -0.52 0.00 0.00 55.73 52.96 2cup s ARG 27 Cb 0.00 -0.76 0.05 0.00 0.52 0.00 0.00 34.95 34.76 2cup s ARG 27 CO 0.00 -0.43 0.35 -0.06 0.02 0.00 0.00 175.30 175.18 2cup s PHE 28 N -3.18 -0.49 -0.01 -0.53 0.40 -1.26 -1.56 117.98 111.35 2cup s PHE 28 Ca 0.23 1.09 0.06 0.00 -0.60 0.00 0.00 56.93 57.71 2cup s PHE 28 Cb 0.03 0.18 -0.02 0.00 0.51 0.00 0.00 43.02 43.73 2cup s PHE 28 CO 0.13 -0.30 -0.20 -1.58 0.70 0.00 0.00 175.22 173.98 2cup s TRP 29 N 1.30 1.79 0.60 0.36 0.51 -0.99 -2.47 118.94 120.04 2cup s TRP 29 Ca -0.09 -0.34 -0.18 0.00 -2.12 0.00 0.00 56.10 53.36 2cup s TRP 29 Cb -0.09 -1.14 -0.03 0.00 -0.81 0.00 0.00 33.47 31.40 2cup s TRP 29 CO -0.11 -0.02 1.19 -1.01 -0.51 0.00 0.00 176.95 176.50 2cup s HIS 30 N -0.51 2.40 0.66 -1.98 3.76 -1.26 -2.29 115.29 116.08 2cup s HIS 30 Ca 0.08 1.53 0.22 0.00 -0.15 0.00 0.00 55.06 56.73 2cup s HIS 30 Cb -0.08 -3.45 1.21 0.00 1.11 0.00 0.00 32.58 31.37 2cup s HIS 30 CO -0.00 -2.16 1.68 0.38 -0.85 0.00 0.00 174.74 173.78 2cup h ASP 31 N 0.77 0.00 0.00 1.40 3.04 -1.85 1.02 116.42 120.81 2cup h ASP 31 Ca -0.50 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.29 2cup h ASP 31 Cb 1.29 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.58 2cup h ASP 31 CO 0.55 0.00 -1.82 0.35 -2.04 0.00 0.00 179.24 176.28 2cup n THR 32 N -2.79 0.00 -0.07 1.15 -2.24 -1.26 -4.54 114.28 104.53 2cup n THR 32 Ca -0.01 -0.42 -0.20 0.00 -2.27 0.00 0.00 64.05 61.15 2cup n THR 32 Cb 0.54 0.12 -0.12 0.00 -2.10 0.00 0.00 70.33 68.77 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 -4.30 1.20 -3.71 0.00 7.35 0.96 -4.84 117.46 114.12 2cup n PHE 34 Ca -0.27 0.15 -0.09 0.00 -0.76 0.00 0.00 57.45 56.49 2cup n PHE 34 Cb 0.71 -2.53 -0.02 0.00 0.35 0.00 0.00 39.48 37.99 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 8.46 1.59 1.27 -4.13 1.70 -1.26 -3.79 118.95 122.78 2cup s ARG 35 Ca 1.06 -0.81 -0.16 0.00 -0.47 0.00 0.00 55.73 55.34 2cup s ARG 35 Cb -0.39 0.60 0.31 0.00 -0.57 0.00 0.00 34.95 34.89 2cup s ARG 35 CO 0.29 -0.72 0.87 0.00 -1.08 0.00 0.00 175.30 174.67 2cup n ALA 37 N -5.21 2.26 -0.10 0.00 0.00 -1.12 -3.73 120.51 112.61 2cup n ALA 37 Ca 0.05 -0.17 -0.18 0.00 0.00 0.00 0.00 53.44 53.14 2cup n ALA 37 Cb 0.56 -0.24 -0.08 0.00 0.00 0.00 0.00 19.45 19.69 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 -1.74 0.54 -0.00 0.00 4.81 -1.26 -3.57 118.16 116.94 2cup n LYS 38 Ca -0.01 0.49 0.11 0.00 -0.87 0.00 0.00 58.31 58.02 2cup n LYS 38 Cb 0.18 -1.67 -0.14 0.00 0.02 0.00 0.00 35.03 33.42 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 -2.16 -3.46 -4.42 0.00 4.77 -1.24 -4.98 117.00 105.52 2cup n LEU 40 Ca -0.02 -0.39 -0.33 0.00 -0.03 0.00 0.00 56.01 55.24 2cup n LEU 40 Cb 0.53 -2.10 -0.14 0.00 -2.33 0.00 0.00 43.42 39.38 2cup n LEU 40 CO 0.45 0.19 -0.43 -2.28 -1.33 0.00 0.00 177.39 173.99 2cup s HIS 41 N -3.22 2.83 -0.18 -1.77 2.46 -1.26 -4.65 115.29 109.50 2cup s HIS 41 Ca 0.06 -0.48 -0.29 0.00 0.47 0.00 0.00 55.06 54.82 2cup s HIS 41 Cb -0.01 -1.82 -0.03 0.00 -0.13 0.00 0.00 32.58 30.59 2cup s HIS 41 CO 0.44 -0.09 1.58 -1.25 -2.47 0.00 0.00 174.74 172.95 2cup s PRO 42 N 0.12 3.93 -0.30 2.88 0.04 -1.26 0.14 135.00 140.56 2cup s PRO 42 Ca -0.05 1.77 0.05 0.00 0.04 0.00 0.00 61.00 62.81 2cup s PRO 42 Cb -0.15 -3.99 0.54 0.00 0.04 0.00 0.00 34.50 30.95 2cup s PRO 42 CO 0.04 -1.13 1.63 1.28 0.04 0.00 0.00 177.00 178.87 2cup n LEU 43 N 7.94 5.50 -0.09 -3.56 7.99 -1.25 -4.63 117.00 128.90 2cup n LEU 43 Ca 0.18 -2.89 -0.14 0.00 -0.01 0.00 0.00 56.01 53.15 2cup n LEU 43 Cb 0.45 -0.73 -0.10 0.00 -0.11 0.00 0.00 43.42 42.93 2cup n LEU 43 CO 0.63 0.81 0.50 0.00 -1.51 0.00 0.00 177.39 177.82 2cup h ALA 44 N 1.90 -0.82 0.00 -1.18 0.00 -1.90 -2.44 119.26 114.83 2cup h ALA 44 Ca 0.35 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2cup h ALA 44 Cb 2.20 1.08 0.00 0.00 0.00 0.00 0.00 17.79 21.07 2cup h ALA 44 CO 0.71 -1.05 -0.90 0.09 0.00 0.00 0.00 179.25 178.10 2cup n ASN 45 N -5.32 0.63 -4.77 0.00 3.02 -1.26 -4.93 115.26 102.62 2cup n ASN 45 Ca -0.04 -0.19 -0.22 0.00 -0.03 0.00 0.00 54.58 54.09 2cup n ASN 45 Cb 0.35 0.64 0.09 0.00 -0.61 0.00 0.00 39.78 40.24 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 -3.16 1.87 0.15 3.52 2.02 -0.92 -5.11 118.70 117.07 2cup s GLU 46 Ca 0.05 -1.21 0.03 0.00 0.02 0.00 0.00 54.97 53.86 2cup s GLU 46 Cb 0.15 -2.41 -0.04 0.00 0.10 0.00 0.00 34.13 31.93 2cup s GLU 46 CO 0.78 -1.27 0.20 0.99 0.02 0.00 0.00 175.26 175.99 2cup s THR 47 N -3.01 4.92 0.34 3.63 2.01 -1.26 -4.79 115.64 117.48 2cup s THR 47 Ca 0.65 -0.85 0.06 0.00 0.31 0.00 0.00 61.69 61.86 2cup s THR 47 Cb -0.06 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.92 2cup s THR 47 CO 0.43 -0.07 0.23 0.72 -0.69 0.00 0.00 174.62 175.23 2cup s PHE 48 N -1.71 1.73 -0.04 4.92 -0.71 -1.26 -4.22 117.98 116.68 2cup s PHE 48 Ca 0.33 -1.55 -0.01 0.00 -1.04 0.00 0.00 56.93 54.66 2cup s PHE 48 Cb -0.11 -0.83 0.03 0.00 -1.21 0.00 0.00 43.02 40.90 2cup s PHE 48 CO 0.26 -0.70 0.03 0.08 -1.34 0.00 0.00 175.22 173.55 2cup s VAL 49 N -3.42 0.08 -0.49 -2.49 1.01 0.10 -4.93 120.40 110.26 2cup s VAL 49 Ca 0.36 0.26 -0.26 0.00 0.00 0.00 0.00 61.98 62.34 2cup s VAL 49 Cb 0.03 -0.26 0.03 0.00 0.00 0.00 0.00 36.38 36.18 2cup s VAL 49 CO 0.23 0.18 0.98 0.00 0.00 0.00 0.00 175.10 176.49 2cup s ALA 50 N 1.75 3.19 0.02 5.51 0.00 -1.26 -2.27 121.76 128.69 2cup s ALA 50 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.11 2cup s ALA 50 Cb -0.13 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.26 2cup s ALA 50 CO -0.03 -2.20 -0.03 0.21 0.00 0.00 0.00 175.76 173.71 2cup s LYS 51 N 3.98 0.26 -1.65 0.00 2.20 -0.68 -4.86 119.74 118.99 2cup s LYS 51 Ca 0.37 -0.51 -0.16 0.00 -0.36 0.00 0.00 55.97 55.32 2cup s LYS 51 Cb -0.10 0.08 0.13 0.00 -1.51 0.00 0.00 37.83 36.43 2cup s LYS 51 CO 0.25 -0.04 0.77 -0.25 -0.36 0.00 0.00 175.35 175.73 2cup n ASP 52 N 1.86 -3.16 -3.76 1.43 8.00 -1.26 0.15 116.55 119.81 2cup n ASP 52 Ca -0.22 -0.98 -0.29 0.00 0.71 0.00 0.00 54.79 54.01 2cup n ASP 52 Cb 0.56 -2.92 0.01 0.00 -0.02 0.00 0.00 41.12 38.75 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2cup n ASN 53 N -2.71 -4.43 -3.81 -2.24 4.13 -1.26 -4.95 115.26 99.98 2cup n ASN 53 Ca 0.03 -0.68 -0.12 0.00 1.68 0.00 0.00 54.58 55.49 2cup n ASN 53 Cb 0.52 -3.58 -0.10 0.00 -1.54 0.00 0.00 39.78 35.08 2cup n ASN 53 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2cup s LYS 54 N -6.45 0.51 -0.12 3.52 1.02 0.12 -5.14 119.74 113.20 2cup s LYS 54 Ca 0.59 -0.13 -0.22 0.00 0.02 0.00 0.00 55.97 56.23 2cup s LYS 54 Cb -0.30 0.23 -0.03 0.00 -0.52 0.00 0.00 37.83 37.20 2cup s LYS 54 CO 0.72 -0.12 0.66 0.42 -0.92 0.00 0.00 175.35 176.11 2cup s ILE 55 N -0.99 5.05 0.04 2.17 -1.09 -1.26 -1.69 121.20 123.43 2cup s ILE 55 Ca -0.11 1.32 0.02 0.00 -2.23 0.00 0.00 60.65 59.65 2cup s ILE 55 Cb -0.05 -3.99 -0.02 0.00 -1.58 0.00 0.00 42.46 36.81 2cup s ILE 55 CO 0.02 0.20 -0.07 -0.76 -1.23 0.00 0.00 174.94 173.10 2cup s LEU 56 N 1.21 2.27 0.42 2.97 1.43 -0.96 -2.79 118.68 123.23 2cup s LEU 56 Ca 0.33 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2cup s LEU 56 Cb -0.17 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 45.90 2cup s LEU 56 CO 0.14 -0.23 0.66 0.00 0.23 0.00 0.00 176.35 177.15 2cup h ASN 58 N 0.46 0.49 -0.57 0.00 -0.26 -1.92 0.63 115.58 114.42 2cup h ASN 58 Ca -0.48 0.05 0.09 0.00 -0.56 0.00 0.00 56.30 55.40 2cup h ASN 58 Cb 1.23 -0.04 -0.03 0.00 -1.06 0.00 0.00 38.32 38.42 2cup h ASN 58 CO 0.60 0.29 0.38 0.50 -1.06 0.00 0.00 177.43 178.14 2cup h LYS 59 N 0.63 0.41 0.00 0.81 1.63 -1.94 -2.19 116.57 115.92 2cup h LYS 59 Ca 0.34 -0.02 0.00 0.00 -0.85 0.00 0.00 60.65 60.11 2cup h LYS 59 Cb 0.32 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 31.85 2cup h LYS 59 CO -0.24 0.27 -0.01 0.00 -3.45 0.00 0.00 179.45 176.02 2cup n THR 61 N -3.27 -0.06 -1.77 0.00 -2.24 0.04 -4.42 114.28 102.56 2cup n THR 61 Ca -0.00 1.43 -0.41 0.00 -2.27 0.00 0.00 64.05 62.80 2cup n THR 61 Cb 0.00 -2.38 -0.00 0.00 -2.10 0.00 0.00 70.33 65.85 2cup n THR 61 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 2cup n THR 62 N -3.96 1.70 -1.48 4.28 -1.04 -0.83 -4.78 114.28 108.18 2cup n THR 62 Ca 0.40 -0.42 -0.62 0.00 -2.04 0.00 0.00 64.05 61.36 2cup n THR 62 Cb 1.73 -1.98 -0.11 0.00 -1.82 0.00 0.00 70.33 68.15 2cup n THR 62 CO 0.00 0.00 0.00 -1.14 -0.64 0.00 0.00 175.07 173.29 2cup n ARG 63 N 0.97 0.00 -4.24 -2.82 0.63 -1.26 -4.92 116.66 105.02 2cup n ARG 63 Ca 0.03 0.00 -0.14 0.00 -0.92 0.00 0.00 57.85 56.83 2cup n ARG 63 Cb 0.38 -1.45 -0.10 0.00 0.45 0.00 0.00 32.46 31.74 2cup n ARG 63 CO 0.00 0.00 0.00 -2.00 -2.51 0.00 0.00 177.63 173.12 2cup s GLU 64 N 4.21 1.05 -0.19 -0.14 2.12 -1.26 -5.03 118.70 119.46 2cup s GLU 64 Ca 1.08 -1.47 -0.01 0.00 0.36 0.00 0.00 54.97 54.94 2cup s GLU 64 Cb -1.45 -0.47 0.13 0.00 0.26 0.00 0.00 34.13 32.60 2cup s GLU 64 CO 0.73 -0.00 1.98 -0.25 -0.54 0.00 0.00 175.26 177.17 2cup n ASP 65 N -0.20 5.92 -4.72 -1.70 8.00 -1.26 -4.95 116.55 117.64 2cup n ASP 65 Ca -0.09 -2.80 -0.32 0.00 0.71 0.00 0.00 54.79 52.29 2cup n ASP 65 Cb 0.61 -1.07 0.12 0.00 -0.02 0.00 0.00 41.12 40.77 2cup n ASP 65 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 2cup s SER 66 N 0.86 3.81 0.80 -2.24 0.01 -1.26 -5.00 113.70 110.68 2cup s SER 66 Ca 0.19 2.07 -0.11 0.00 1.31 0.00 0.00 55.95 59.41 2cup s SER 66 Cb 0.15 -2.55 0.07 0.00 0.21 0.00 0.00 66.02 63.90 2cup s SER 66 CO -0.00 -2.51 1.09 -2.16 0.41 0.00 0.00 173.24 170.07 2cup s PRO 67 N -4.61 2.06 0.18 12.44 0.04 -1.26 -4.95 135.00 138.90 2cup s PRO 67 Ca 0.66 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.86 2cup s PRO 67 Cb -0.21 -1.88 -0.04 0.00 0.04 0.00 0.00 34.50 32.40 2cup s PRO 67 CO 0.54 -1.76 -0.14 -1.59 0.04 0.00 0.00 177.00 174.10 2cup s LYS 68 N -4.91 1.22 0.33 4.56 0.00 -1.26 -2.19 119.74 117.49 2cup s LYS 68 Ca 0.62 -1.49 0.07 0.00 0.00 0.00 0.00 55.97 55.16 2cup s LYS 68 Cb -0.17 -0.98 -0.01 0.00 0.00 0.00 0.00 37.83 36.66 2cup s LYS 68 CO 0.56 0.16 0.42 0.00 0.00 0.00 0.00 175.35 176.49 2cup n LYS 70 N -1.56 1.05 0.04 0.00 3.00 -1.26 -3.33 118.16 116.10 2cup n LYS 70 Ca -0.01 -0.04 -0.20 0.00 -0.00 0.00 0.00 58.31 58.06 2cup n LYS 70 Cb 0.59 -1.16 -0.11 0.00 0.00 0.00 0.00 35.03 34.35 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 1.22 0.74 0.00 3.14 0.00 -1.94 -3.38 103.07 102.84 2cup h GLY 71 Ca -0.05 -1.33 0.00 0.00 0.00 0.00 0.00 47.33 45.95 2cup h GLY 71 CO 0.00 1.17 -0.34 0.00 0.00 0.00 0.00 176.54 177.37 2cup n PHE 73 N -1.07 -2.00 -4.35 0.00 3.72 -1.21 -5.03 117.46 107.53 2cup n PHE 73 Ca 0.00 0.82 -0.24 0.00 -0.05 0.00 0.00 57.45 57.97 2cup n PHE 73 Cb 0.00 -4.55 -0.12 0.00 -0.94 0.00 0.00 39.48 33.87 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 -4.98 1.31 -0.36 -1.08 1.02 -1.26 -4.82 119.74 109.57 2cup s LYS 74 Ca 0.10 -1.37 -0.27 0.00 0.02 0.00 0.00 55.97 54.44 2cup s LYS 74 Cb -0.01 -1.54 -0.05 0.00 -0.52 0.00 0.00 37.83 35.71 2cup s LYS 74 CO 0.65 0.34 2.15 0.00 -0.92 0.00 0.00 175.35 177.57 2cup s ALA 75 N -1.62 2.37 0.38 5.17 0.00 -1.26 -2.34 121.76 124.45 2cup s ALA 75 Ca 0.14 0.30 -0.27 0.00 0.00 0.00 0.00 51.96 52.14 2cup s ALA 75 Cb -0.08 -4.17 -0.09 0.00 0.00 0.00 0.00 23.12 18.78 2cup s ALA 75 CO 0.07 -3.37 1.23 0.42 0.00 0.00 0.00 175.76 174.11 2cup s ILE 76 N 9.27 2.92 0.11 0.00 1.01 -0.93 -5.00 121.20 128.58 2cup s ILE 76 Ca 0.92 0.84 0.03 0.00 0.00 0.00 0.00 60.65 62.43 2cup s ILE 76 Cb -0.24 -3.50 -0.04 0.00 0.01 0.00 0.00 42.46 38.69 2cup s ILE 76 CO 0.31 0.13 0.18 -0.69 0.00 0.00 0.00 174.94 174.87 2cup s VAL 77 N -1.28 4.95 0.02 2.92 1.01 -1.26 -4.47 120.40 122.29 2cup s VAL 77 Ca 0.54 -0.72 -0.14 0.00 0.00 0.00 0.00 61.98 61.66 2cup s VAL 77 Cb -0.35 -3.47 -0.08 0.00 0.00 0.00 0.00 36.38 32.48 2cup s VAL 77 CO 0.45 0.02 1.18 0.00 0.00 0.00 0.00 175.10 176.75 2cup h ALA 78 N 2.74 -1.11 -0.91 5.51 0.00 -1.79 -3.13 119.26 120.57 2cup h ALA 78 Ca -0.47 -0.11 0.20 0.00 0.00 0.00 0.00 54.91 54.53 2cup h ALA 78 Cb 1.18 0.19 -0.11 0.00 0.00 0.00 0.00 17.79 19.05 2cup h ALA 78 CO 0.69 -1.07 0.46 0.78 0.00 0.00 0.00 179.25 180.10 2cup h GLY 79 N -0.51 1.57 -1.84 0.00 0.00 -1.77 -3.42 103.07 97.10 2cup h GLY 79 Ca -0.05 -0.23 -0.54 0.00 0.00 0.00 0.00 47.33 46.51 2cup h GLY 79 CO 0.08 -0.18 -0.07 1.22 0.00 0.00 0.00 176.54 177.60 2cup n ASP 80 N -4.94 -0.35 -4.71 0.19 8.00 -1.18 -4.96 116.55 108.60 2cup n ASP 80 Ca 0.21 0.49 -0.39 0.00 0.71 0.00 0.00 54.79 55.82 2cup n ASP 80 Cb 0.60 -1.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.27 2cup n ASP 80 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 2cup s GLN 81 N -3.80 4.34 0.37 -1.24 -0.21 -1.26 -4.85 119.66 113.02 2cup s GLN 81 Ca 0.66 0.59 0.04 0.00 0.02 0.00 0.00 55.36 56.67 2cup s GLN 81 Cb -0.27 -3.47 -0.03 0.00 1.00 0.00 0.00 33.01 30.24 2cup s GLN 81 CO 0.58 0.06 0.13 0.54 -2.12 0.00 0.00 175.29 174.48 2cup s ASN 82 N 0.78 2.44 -0.14 5.90 2.20 -1.26 -1.61 114.94 123.25 2cup s ASN 82 Ca 0.29 -1.61 -0.04 0.00 -0.94 0.00 0.00 52.86 50.56 2cup s ASN 82 Cb -0.16 0.40 0.05 0.00 -2.00 0.00 0.00 41.25 39.54 2cup s ASN 82 CO 0.12 -0.88 0.08 -0.69 -2.94 0.00 0.00 177.10 172.79 2cup s VAL 83 N -3.31 -0.07 -0.15 3.54 1.01 0.61 -4.47 120.40 117.56 2cup s VAL 83 Ca 0.28 -0.04 -0.07 0.00 0.00 0.00 0.00 61.98 62.16 2cup s VAL 83 Cb 0.04 -0.49 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2cup s VAL 83 CO 0.16 -0.17 0.09 -0.70 0.00 0.00 0.00 175.10 174.47 2cup s GLU 84 N 2.14 3.67 0.00 2.72 2.12 -1.26 0.23 118.70 128.31 2cup s GLU 84 Ca 0.03 -0.27 0.00 0.00 0.36 0.00 0.00 54.97 55.09 2cup s GLU 84 Cb -0.15 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.07 2cup s GLU 84 CO -0.08 0.52 0.00 0.98 -0.54 0.00 0.00 175.26 176.14 2cup n TYR 85 N 2.79 0.00 -3.96 5.30 9.36 -0.76 -4.98 117.16 124.91 2cup n TYR 85 Ca -0.18 0.00 -0.30 0.00 3.32 0.00 0.00 57.90 60.74 2cup n TYR 85 Cb 0.53 0.00 -0.14 0.00 -0.63 0.00 0.00 39.34 39.10 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 0.00 1.90 0.00 2.98 -0.14 -1.26 -4.86 119.74 118.36 2cup s LYS 86 Ca 0.00 -2.52 0.00 0.00 -1.36 0.00 0.00 55.97 52.09 2cup s LYS 86 Cb 0.00 -3.29 0.00 0.00 -1.68 0.00 0.00 37.83 32.86 2cup s LYS 86 CO 0.00 -1.09 0.00 0.41 -0.76 0.00 0.00 175.35 173.91 2cup n GLY 87 N 3.26 0.99 3.93 -3.33 0.00 -1.26 -4.88 105.19 103.90 2cup n GLY 87 Ca 0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.81 2cup n GLY 87 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2cup s THR 88 N 0.00 5.20 -0.06 2.61 2.01 -1.26 -5.08 115.64 119.05 2cup s THR 88 Ca 0.00 -0.45 0.00 0.00 0.31 0.00 0.00 61.69 61.56 2cup s THR 88 Cb 0.00 -3.77 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2cup s THR 88 CO 0.00 -0.25 -0.04 0.54 -0.69 0.00 0.00 174.62 174.18 2cup s VAL 89 N -1.95 0.61 -0.01 3.82 0.11 -1.26 -1.83 120.40 119.89 2cup s VAL 89 Ca 0.38 -0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.29 2cup s VAL 89 Cb -0.11 -0.65 -0.04 0.00 -1.53 0.00 0.00 36.38 34.05 2cup s VAL 89 CO 0.30 0.26 0.17 0.26 -3.33 0.00 0.00 175.10 172.76 2cup s TRP 90 N 1.24 3.53 0.58 1.54 0.52 0.61 -4.05 118.94 122.92 2cup s TRP 90 Ca -0.06 0.35 -0.19 0.00 0.02 0.00 0.00 56.10 56.22 2cup s TRP 90 Cb -0.14 -1.82 -0.06 0.00 -1.15 0.00 0.00 33.47 30.30 2cup s TRP 90 CO -0.02 0.64 0.90 0.72 0.02 0.00 0.00 176.95 179.21 2cup n HIS 91 N 0.98 0.60 -0.38 -1.98 8.25 -1.26 0.22 115.22 121.66 2cup n HIS 91 Ca -0.11 0.45 0.38 0.00 -0.26 0.00 0.00 57.72 58.17 2cup n HIS 91 Cb 0.53 -2.12 0.76 0.00 1.12 0.00 0.00 29.99 30.28 2cup n HIS 91 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 2cup h LYS 92 N 0.52 0.01 0.00 -0.41 3.11 -1.52 0.10 116.57 118.39 2cup h LYS 92 Ca -0.48 -0.00 -0.13 0.00 -2.81 0.00 0.00 60.65 57.23 2cup h LYS 92 Cb 1.37 -0.00 -0.02 0.00 -1.00 0.00 0.00 32.23 32.58 2cup h LYS 92 CO 0.51 0.01 -0.72 0.22 -2.81 0.00 0.00 179.45 176.65 2cup h ASP 93 N 0.01 0.00 -0.77 4.20 1.82 -1.87 -3.37 116.42 116.45 2cup h ASP 93 Ca 0.63 -0.68 0.14 0.00 -0.39 0.00 0.00 57.03 56.73 2cup h ASP 93 Cb 2.49 0.00 -0.10 0.00 0.68 0.00 0.00 39.33 42.40 2cup h ASP 93 CO -0.02 1.26 0.32 0.00 -1.61 0.00 0.00 179.24 179.19 2cup n PHE 95 N -4.99 3.76 0.14 0.00 -0.00 0.19 -4.80 117.46 111.77 2cup n PHE 95 Ca 0.15 -2.30 -0.17 0.00 -0.00 0.00 0.00 57.45 55.13 2cup n PHE 95 Cb 0.42 -2.58 -0.10 0.00 -0.00 0.00 0.00 39.48 37.22 2cup n PHE 95 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 2cup h SER 96 N 8.25 -1.53 0.00 -2.13 0.87 -1.84 -3.45 113.55 113.72 2cup h SER 96 Ca 0.37 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 61.09 2cup h SER 96 Cb 0.87 0.56 0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2cup h SER 96 CO 1.43 -0.57 0.00 0.61 -0.53 0.00 0.00 176.83 177.77 2cup n GLY 97 N -1.50 2.20 0.22 5.77 0.00 -1.26 -1.99 105.19 108.63 2cup n GLY 97 Ca -0.09 0.27 -0.07 0.00 0.00 0.00 0.00 46.02 46.14 2cup n GLY 97 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cup h PRO 98 N 0.00 0.52 -7.44 1.61 0.13 -2.03 -3.45 132.00 121.34 2cup h PRO 98 Ca 0.00 -0.27 -0.43 0.00 -0.87 0.00 0.00 66.00 64.43 2cup h PRO 98 Cb 0.00 0.01 0.17 0.00 0.13 0.00 0.00 31.00 31.31 2cup h PRO 98 CO 0.00 0.85 0.19 -1.54 -0.23 0.00 0.00 178.00 177.28 2cup s SER 99 N -6.87 1.80 0.07 1.44 1.04 -0.84 -5.09 113.70 105.25 2cup s SER 99 Ca -0.07 0.76 -0.04 0.00 0.48 0.00 0.00 55.95 57.08 2cup s SER 99 Cb 0.12 -1.12 -0.02 0.00 0.10 0.00 0.00 66.02 65.10 2cup s SER 99 CO 0.82 -3.59 0.06 -0.55 0.98 0.00 0.00 173.24 170.96 2cup s SER 100 N -3.90 0.34 0.00 7.02 0.15 -1.26 -4.88 113.70 111.16 2cup s SER 100 Ca 0.69 -0.86 0.00 0.00 0.70 0.00 0.00 55.95 56.48 2cup s SER 100 Cb -0.12 0.26 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 2cup s SER 100 CO 0.56 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.95