#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 5.28 0.12 1.61 1.04 -1.26 -5.08 113.70 115.42 2cup s SER 2 Ca 0.00 -2.21 0.10 0.00 0.48 0.00 0.00 55.95 54.32 2cup s SER 2 Cb 0.00 -1.85 -0.04 0.00 0.10 0.00 0.00 66.02 64.23 2cup s SER 2 CO 0.00 -0.52 -0.24 -0.44 0.98 0.00 0.00 173.24 173.02 2cup s SER 3 N 1.63 3.49 -0.15 7.02 0.01 -1.26 -5.02 113.70 119.42 2cup s SER 3 Ca 0.10 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.61 2cup s SER 3 Cb -0.22 -0.32 -0.22 0.00 0.21 0.00 0.00 66.02 65.47 2cup s SER 3 CO -0.04 0.18 3.18 0.61 0.41 0.00 0.00 173.24 177.59 2cup n GLY 4 N 0.90 2.87 3.65 3.44 0.00 -1.26 -4.91 105.19 109.88 2cup n GLY 4 Ca -0.17 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.46 2cup n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2cup s SER 5 N 2.17 1.19 -0.03 1.61 0.01 -1.26 -5.09 113.70 112.30 2cup s SER 5 Ca 0.59 0.53 -0.03 0.00 1.31 0.00 0.00 55.95 58.35 2cup s SER 5 Cb 0.27 -0.72 0.01 0.00 0.21 0.00 0.00 66.02 65.79 2cup s SER 5 CO -0.01 -3.94 0.09 -0.44 0.41 0.00 0.00 173.24 169.35 2cup s SER 6 N -4.09 -0.07 0.40 2.44 0.01 -1.26 -5.14 113.70 105.98 2cup s SER 6 Ca 0.72 0.12 0.02 0.00 1.31 0.00 0.00 55.95 58.12 2cup s SER 6 Cb -0.08 0.19 0.02 0.00 0.21 0.00 0.00 66.02 66.36 2cup s SER 6 CO 0.55 -0.08 0.20 0.61 0.41 0.00 0.00 173.24 174.94 2cup n GLY 7 N 2.82 3.13 3.88 3.44 0.00 -1.26 -3.07 105.19 114.12 2cup n GLY 7 Ca -0.14 -2.29 -0.31 0.00 0.00 0.00 0.00 46.02 43.29 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 -0.69 0.00 -0.09 0.00 3.14 -0.27 -2.76 118.33 117.66 2cup n VAL 9 Ca 0.01 -0.06 -0.10 0.00 -2.96 0.00 0.00 64.34 61.23 2cup n VAL 9 Cb 0.53 0.84 -0.04 0.00 -1.06 0.00 0.00 33.84 34.11 2cup n VAL 9 CO 0.00 0.00 0.00 -0.62 -6.46 0.00 0.00 176.83 169.75 2cup n GLU 10 N -1.14 0.50 -0.75 1.45 -0.58 -1.26 -4.52 120.64 114.34 2cup n GLU 10 Ca 0.06 0.42 0.05 0.00 -0.42 0.00 0.00 57.16 57.27 2cup n GLU 10 Cb 0.36 -1.61 0.33 0.00 -0.57 0.00 0.00 31.44 29.95 2cup n GLU 10 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2cup n ARG 12 N 0.00 -1.09 -4.09 0.00 5.12 -1.11 -4.84 116.66 110.65 2cup n ARG 12 Ca 0.28 0.06 -0.23 0.00 -1.93 0.00 0.00 57.85 56.03 2cup n ARG 12 Cb 1.12 -2.57 -0.05 0.00 -1.16 0.00 0.00 32.46 29.80 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 -4.10 2.96 0.22 5.56 1.02 -1.25 -4.77 119.74 119.38 2cup s LYS 13 Ca 0.37 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 55.09 2cup s LYS 13 Cb -0.22 -2.62 -0.09 0.00 -0.52 0.00 0.00 37.83 34.39 2cup s LYS 13 CO 0.45 0.43 1.28 -1.25 -0.92 0.00 0.00 175.35 175.35 2cup s PRO 14 N -3.62 4.41 -0.15 -1.68 0.04 -1.26 0.13 135.00 132.87 2cup s PRO 14 Ca 0.32 2.05 -0.06 0.00 0.04 0.00 0.00 61.00 63.35 2cup s PRO 14 Cb -0.09 -3.18 -0.04 0.00 0.04 0.00 0.00 34.50 31.24 2cup s PRO 14 CO 0.25 -0.19 0.08 0.42 0.04 0.00 0.00 177.00 177.59 2cup s ILE 15 N -0.19 4.97 0.04 0.56 1.01 -1.17 -4.86 121.20 121.55 2cup s ILE 15 Ca 0.54 0.02 -0.18 0.00 0.00 0.00 0.00 60.65 61.03 2cup s ILE 15 Cb -0.36 -3.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.85 2cup s ILE 15 CO 0.41 0.53 0.51 -0.83 0.00 0.00 0.00 174.94 175.56 2cup s GLY 16 N -0.28 2.60 0.20 6.18 0.00 -1.26 -4.79 107.32 109.97 2cup s GLY 16 Ca 0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 44.72 44.64 2cup s GLY 16 CO 0.01 0.37 1.70 0.00 0.00 0.00 0.00 173.10 175.19 2cup h ALA 17 N 4.69 0.65 -0.53 3.20 0.00 -1.98 0.66 119.26 125.95 2cup h ALA 17 Ca -0.50 0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.60 2cup h ALA 17 Cb 1.21 0.20 -0.03 0.00 0.00 0.00 0.00 17.79 19.18 2cup h ALA 17 CO 0.63 -0.33 0.35 -0.44 0.00 0.00 0.00 179.25 179.47 2cup h ASP 18 N 0.22 0.46 -3.11 0.00 3.32 -2.06 -3.41 116.42 111.83 2cup h ASP 18 Ca 0.30 -0.00 -0.54 0.00 0.02 0.00 0.00 57.03 56.80 2cup h ASP 18 Cb 0.45 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 2cup h ASP 18 CO -0.41 0.31 0.66 -0.44 -1.72 0.00 0.00 179.24 177.63 2cup s SER 19 N -6.44 7.05 -0.38 6.45 0.01 0.22 -4.93 113.70 115.67 2cup s SER 19 Ca -0.08 1.92 -0.27 0.00 1.31 0.00 0.00 55.95 58.82 2cup s SER 19 Cb 0.19 -2.57 -0.05 0.00 0.21 0.00 0.00 66.02 63.80 2cup s SER 19 CO 0.74 -0.55 2.22 -0.54 0.41 0.00 0.00 173.24 175.52 2cup s LYS 20 N 1.79 2.67 0.11 12.44 -0.14 -1.26 -4.71 119.74 130.63 2cup s LYS 20 Ca 0.58 1.57 0.02 0.00 -1.36 0.00 0.00 55.97 56.77 2cup s LYS 20 Cb -0.27 -4.44 -0.04 0.00 -1.68 0.00 0.00 37.83 31.40 2cup s LYS 20 CO 0.25 -2.63 0.22 -1.83 -0.76 0.00 0.00 175.35 170.60 2cup s GLU 21 N 7.14 3.34 -0.36 1.68 1.03 -1.26 -3.32 118.70 126.94 2cup s GLU 21 Ca 0.94 -0.57 -0.02 0.00 0.03 0.00 0.00 54.97 55.35 2cup s GLU 21 Cb -0.23 -2.94 0.09 0.00 -0.80 0.00 0.00 34.13 30.24 2cup s GLU 21 CO 0.30 0.56 0.12 0.08 -1.33 0.00 0.00 175.26 174.98 2cup s VAL 22 N -1.62 3.07 -0.32 1.83 1.01 -0.98 -4.97 120.40 118.42 2cup s VAL 22 Ca 0.34 -1.86 -0.20 0.00 0.00 0.00 0.00 61.98 60.26 2cup s VAL 22 Cb -0.12 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.25 2cup s VAL 22 CO 0.27 -0.48 0.63 -2.28 0.00 0.00 0.00 175.10 173.25 2cup s HIS 23 N 1.15 3.20 -0.17 5.22 5.04 -1.26 -2.08 115.29 126.39 2cup s HIS 23 Ca 0.04 0.52 -0.14 0.00 -1.54 0.00 0.00 55.06 53.94 2cup s HIS 23 Cb -0.21 -3.03 0.05 0.00 0.04 0.00 0.00 32.58 29.42 2cup s HIS 23 CO -0.04 -0.52 0.45 -0.47 -2.34 0.00 0.00 174.74 171.82 2cup s TYR 24 N 2.64 -0.54 -1.37 3.88 5.04 -0.69 -4.92 117.35 121.39 2cup s TYR 24 Ca 0.25 1.25 -0.06 0.00 -2.44 0.00 0.00 57.07 56.08 2cup s TYR 24 Cb -0.15 0.21 0.03 0.00 0.35 0.00 0.00 41.96 42.40 2cup s TYR 24 CO 0.13 -0.27 0.90 1.63 -1.34 0.00 0.00 175.55 176.59 2cup n LYS 25 N 3.23 -5.76 -2.17 4.97 4.76 -1.26 -0.76 118.16 121.16 2cup n LYS 25 Ca -0.16 0.67 -0.19 0.00 -2.87 0.00 0.00 58.31 55.76 2cup n LYS 25 Cb 0.57 -5.46 -0.03 0.00 -1.84 0.00 0.00 35.03 28.26 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 -2.99 -5.32 -4.07 4.39 3.02 -1.26 -4.95 115.26 104.08 2cup n ASN 26 Ca -0.15 0.15 -0.27 0.00 -0.03 0.00 0.00 54.58 54.29 2cup n ASN 26 Cb 0.61 -4.53 -0.07 0.00 -0.61 0.00 0.00 39.78 35.18 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 -2.77 0.61 -3.67 3.52 5.12 0.06 -5.13 116.66 114.40 2cup n ARG 27 Ca -0.21 -3.56 -0.09 0.00 -1.93 0.00 0.00 57.85 52.06 2cup n ARG 27 Cb 0.66 1.73 -0.09 0.00 -1.16 0.00 0.00 32.46 33.60 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 -3.06 -0.79 -0.02 -1.55 0.40 -1.26 -1.70 117.98 109.99 2cup s PHE 28 Ca 0.17 1.61 0.07 0.00 -0.60 0.00 0.00 56.93 58.18 2cup s PHE 28 Cb 0.01 0.40 -0.02 0.00 0.51 0.00 0.00 43.02 43.93 2cup s PHE 28 CO 0.12 -0.43 -0.23 -1.58 0.70 0.00 0.00 175.22 173.81 2cup s TRP 29 N 1.66 2.07 0.81 0.36 0.51 -0.88 -1.12 118.94 122.35 2cup s TRP 29 Ca -0.09 -0.43 -0.12 0.00 -2.12 0.00 0.00 56.10 53.34 2cup s TRP 29 Cb -0.08 -1.34 0.09 0.00 -0.81 0.00 0.00 33.47 31.33 2cup s TRP 29 CO -0.15 -0.07 1.17 -1.01 -0.51 0.00 0.00 176.95 176.38 2cup s HIS 30 N -0.45 1.94 -0.28 -1.98 3.76 -1.26 -2.33 115.29 114.69 2cup s HIS 30 Ca 0.06 1.68 0.13 0.00 -0.15 0.00 0.00 55.06 56.78 2cup s HIS 30 Cb -0.10 -3.36 0.71 0.00 1.11 0.00 0.00 32.58 30.94 2cup s HIS 30 CO -0.00 -2.59 1.34 -3.47 -0.85 0.00 0.00 174.74 169.17 2cup n ASP 31 N -3.46 0.34 -0.00 1.40 -0.08 -1.21 -0.36 116.55 113.18 2cup n ASP 31 Ca 0.12 0.60 0.05 0.00 -1.51 0.00 0.00 54.79 54.05 2cup n ASP 31 Cb 0.51 -0.61 -0.08 0.00 2.34 0.00 0.00 41.12 43.28 2cup n ASP 31 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 2cup n THR 32 N -1.96 0.00 0.00 5.18 5.66 -1.26 -4.63 114.28 117.27 2cup n THR 32 Ca -0.01 -0.24 -0.21 0.00 -3.05 0.00 0.00 64.05 60.54 2cup n THR 32 Cb 0.15 0.28 -0.14 0.00 -1.55 0.00 0.00 70.33 69.07 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 -4.02 1.39 -3.91 0.00 7.35 0.26 -4.85 117.46 113.68 2cup n PHE 34 Ca -0.23 0.12 -0.08 0.00 -0.76 0.00 0.00 57.45 56.50 2cup n PHE 34 Cb 0.85 -2.63 -0.02 0.00 0.35 0.00 0.00 39.48 38.03 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 8.35 1.79 0.95 -4.13 1.70 -1.26 -3.23 118.95 123.12 2cup s ARG 35 Ca 0.99 -1.18 -0.11 0.00 -0.47 0.00 0.00 55.73 54.95 2cup s ARG 35 Cb -0.20 0.56 0.16 0.00 -0.57 0.00 0.00 34.95 34.90 2cup s ARG 35 CO 0.26 -0.80 1.09 0.00 -1.08 0.00 0.00 175.30 174.77 2cup n ALA 37 N -4.17 3.72 -0.09 0.00 0.00 -0.94 -3.19 120.51 115.84 2cup n ALA 37 Ca 0.07 -0.43 -0.16 0.00 0.00 0.00 0.00 53.44 52.92 2cup n ALA 37 Cb 0.54 -0.52 -0.07 0.00 0.00 0.00 0.00 19.45 19.40 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 -1.09 0.40 0.00 0.00 5.02 -1.26 -4.67 118.16 116.56 2cup n LYS 38 Ca 0.03 0.14 0.08 0.00 -2.02 0.00 0.00 58.31 56.54 2cup n LYS 38 Cb 0.24 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 33.95 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 -1.11 -3.51 -4.45 0.00 7.99 -1.19 -4.94 117.00 109.80 2cup n LEU 40 Ca 0.04 -0.81 -0.33 0.00 -0.01 0.00 0.00 56.01 54.91 2cup n LEU 40 Cb 0.28 -2.76 -0.14 0.00 -0.11 0.00 0.00 43.42 40.69 2cup n LEU 40 CO 0.30 0.37 -0.47 -2.28 -1.51 0.00 0.00 177.39 173.81 2cup s HIS 41 N -3.57 2.66 0.03 -1.77 2.46 -1.26 -4.69 115.29 109.15 2cup s HIS 41 Ca 0.12 -0.23 -0.30 0.00 0.47 0.00 0.00 55.06 55.12 2cup s HIS 41 Cb -0.03 -1.62 -0.06 0.00 -0.13 0.00 0.00 32.58 30.73 2cup s HIS 41 CO 0.80 0.13 1.42 -1.25 -2.47 0.00 0.00 174.74 173.37 2cup s PRO 42 N -0.64 4.28 -0.12 2.88 0.04 -1.26 0.44 135.00 140.61 2cup s PRO 42 Ca 0.10 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.34 2cup s PRO 42 Cb -0.11 -3.51 0.71 0.00 0.04 0.00 0.00 34.50 31.63 2cup s PRO 42 CO 0.01 -0.56 1.62 1.28 0.04 0.00 0.00 177.00 179.38 2cup n LEU 43 N 5.09 4.75 -0.26 -3.56 7.99 -1.20 -4.42 117.00 125.38 2cup n LEU 43 Ca 0.13 -2.51 0.10 0.00 -0.01 0.00 0.00 56.01 53.72 2cup n LEU 43 Cb 0.43 -0.57 0.36 0.00 -0.11 0.00 0.00 43.42 43.52 2cup n LEU 43 CO 0.59 0.79 1.22 0.00 -1.51 0.00 0.00 177.39 178.48 2cup h ALA 44 N 3.87 1.77 -0.00 -1.18 0.00 -1.91 -2.64 119.26 119.17 2cup h ALA 44 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2cup h ALA 44 Cb 1.48 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2cup h ALA 44 CO 0.25 0.02 -0.11 0.27 0.00 0.00 0.00 179.25 179.67 2cup n ASN 45 N -4.54 0.75 -4.45 0.00 0.23 -1.26 -5.01 115.26 100.97 2cup n ASN 45 Ca 0.16 -0.87 -0.30 0.00 -0.53 0.00 0.00 54.58 53.03 2cup n ASN 45 Cb 0.40 0.55 -0.13 0.00 -2.08 0.00 0.00 39.78 38.52 2cup n ASN 45 CO 0.00 0.00 0.00 -0.70 -0.93 0.00 0.00 177.26 175.63 2cup s GLU 46 N -0.95 1.96 0.95 -3.83 2.56 -0.99 -5.12 118.70 113.28 2cup s GLU 46 Ca 0.03 -1.05 -0.12 0.00 0.00 0.00 0.00 54.97 53.84 2cup s GLU 46 Cb 0.04 -2.14 0.08 0.00 2.00 0.00 0.00 34.13 34.11 2cup s GLU 46 CO 0.12 0.52 0.67 0.25 -0.56 0.00 0.00 175.26 176.27 2cup n THR 47 N 1.40 0.00 -4.23 -1.70 -2.24 -1.26 -4.48 114.28 101.78 2cup n THR 47 Ca -0.16 -0.13 -0.13 0.00 -2.27 0.00 0.00 64.05 61.36 2cup n THR 47 Cb 0.52 -0.76 -0.10 0.00 -2.10 0.00 0.00 70.33 67.89 2cup n THR 47 CO 0.00 0.00 0.00 0.72 -0.57 0.00 0.00 175.07 175.22 2cup s PHE 48 N -2.48 1.22 -0.03 4.78 -0.12 -1.26 -4.57 117.98 115.52 2cup s PHE 48 Ca 0.61 -1.28 -0.01 0.00 -0.05 0.00 0.00 56.93 56.19 2cup s PHE 48 Cb -0.22 -0.64 0.02 0.00 -0.63 0.00 0.00 43.02 41.55 2cup s PHE 48 CO 0.64 -0.51 0.05 0.08 -0.05 0.00 0.00 175.22 175.43 2cup s VAL 49 N -4.00 -0.04 -0.30 -2.49 1.01 0.26 -4.93 120.40 109.90 2cup s VAL 49 Ca 0.35 0.13 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2cup s VAL 49 Cb 0.07 -0.10 0.01 0.00 0.00 0.00 0.00 36.38 36.36 2cup s VAL 49 CO 0.10 0.05 0.10 0.00 0.00 0.00 0.00 175.10 175.35 2cup s ALA 50 N 0.69 3.10 -0.02 5.51 0.00 -1.26 -0.11 121.76 129.66 2cup s ALA 50 Ca -0.06 -1.48 -0.01 0.00 0.00 0.00 0.00 51.96 50.42 2cup s ALA 50 Cb -0.08 -2.21 0.02 0.00 0.00 0.00 0.00 23.12 20.86 2cup s ALA 50 CO -0.02 -0.98 0.04 0.15 0.00 0.00 0.00 175.76 174.95 2cup s LYS 51 N 1.51 -0.01 -1.43 0.00 1.02 -0.86 -4.86 119.74 115.12 2cup s LYS 51 Ca 0.02 0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.09 2cup s LYS 51 Cb -0.17 -0.17 0.05 0.00 -0.52 0.00 0.00 37.83 37.01 2cup s LYS 51 CO 0.03 -0.12 1.01 -0.25 -0.92 0.00 0.00 175.35 175.10 2cup n ASP 52 N 3.88 -4.61 -3.85 2.83 9.92 -1.26 -1.38 116.55 122.08 2cup n ASP 52 Ca -0.23 -0.70 -0.29 0.00 -0.53 0.00 0.00 54.79 53.03 2cup n ASP 52 Cb 0.53 -4.34 0.03 0.00 -0.64 0.00 0.00 41.12 36.70 2cup n ASP 52 CO 0.00 0.00 0.00 0.59 0.13 0.00 0.00 177.20 177.92 2cup n ASN 53 N -2.94 -5.00 -3.76 -2.24 4.13 -1.26 -4.97 115.26 99.22 2cup n ASN 53 Ca -0.04 -0.73 -0.14 0.00 1.68 0.00 0.00 54.58 55.35 2cup n ASN 53 Cb 0.57 -3.99 -0.15 0.00 -1.54 0.00 0.00 39.78 34.67 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 -6.56 0.06 -0.07 3.52 1.02 -0.48 -5.13 119.74 112.10 2cup s LYS 54 Ca 0.65 0.31 -0.30 0.00 0.02 0.00 0.00 55.97 56.65 2cup s LYS 54 Cb -0.32 -0.18 -0.03 0.00 -0.52 0.00 0.00 37.83 36.78 2cup s LYS 54 CO 0.80 -0.15 1.15 0.42 -0.92 0.00 0.00 175.35 176.64 2cup s ILE 55 N 1.06 4.40 0.04 2.17 -1.09 -1.26 -2.02 121.20 124.50 2cup s ILE 55 Ca -0.08 1.71 0.01 0.00 -2.23 0.00 0.00 60.65 60.05 2cup s ILE 55 Cb -0.11 -4.10 -0.03 0.00 -1.58 0.00 0.00 42.46 36.64 2cup s ILE 55 CO -0.05 -0.00 -0.05 -0.76 -1.23 0.00 0.00 174.94 172.85 2cup s LEU 56 N 2.16 2.31 0.34 2.97 1.43 0.84 -2.22 118.68 126.52 2cup s LEU 56 Ca 0.54 -0.65 0.07 0.00 -1.03 0.00 0.00 54.13 53.06 2cup s LEU 56 Cb -0.23 0.01 -0.01 0.00 0.03 0.00 0.00 46.19 45.99 2cup s LEU 56 CO 0.21 -0.33 0.41 0.00 0.23 0.00 0.00 176.35 176.87 2cup h ASN 58 N 1.01 -0.65 -0.97 0.00 7.08 -1.92 -0.04 115.58 120.08 2cup h ASN 58 Ca -0.45 0.11 0.30 0.00 -3.08 0.00 0.00 56.30 53.18 2cup h ASN 58 Cb 1.26 0.29 -0.17 0.00 -2.08 0.00 0.00 38.32 37.61 2cup h ASN 58 CO 0.54 -0.27 0.22 0.50 -2.08 0.00 0.00 177.43 176.35 2cup h LYS 59 N -0.28 0.06 0.11 4.14 3.64 -1.96 0.19 116.57 122.47 2cup h LYS 59 Ca 0.09 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.46 2cup h LYS 59 Cb 0.42 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 2cup h LYS 59 CO -0.27 0.04 -0.05 0.00 -2.27 0.00 0.00 179.45 176.90 2cup n THR 61 N -3.58 -0.38 -2.07 0.00 -2.24 -0.12 -4.36 114.28 101.52 2cup n THR 61 Ca -0.02 1.91 -0.30 0.00 -2.27 0.00 0.00 64.05 63.37 2cup n THR 61 Cb 0.06 -2.93 0.01 0.00 -2.10 0.00 0.00 70.33 65.37 2cup n THR 61 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 2cup s THR 62 N -5.64 4.73 -1.39 4.28 -4.23 0.62 -4.07 115.64 109.94 2cup s THR 62 Ca -0.10 0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 61.00 2cup s THR 62 Cb 0.28 -3.86 0.02 0.00 1.34 0.00 0.00 72.50 70.28 2cup s THR 62 CO 0.70 -1.05 1.13 0.54 -0.54 0.00 0.00 174.62 175.40 2cup n ARG 63 N -2.63 -7.60 -3.61 3.99 5.12 -1.26 -4.87 116.66 105.80 2cup n ARG 63 Ca 0.05 0.82 -0.28 0.00 -1.93 0.00 0.00 57.85 56.50 2cup n ARG 63 Cb 0.54 -5.85 -0.12 0.00 -1.16 0.00 0.00 32.46 25.88 2cup n ARG 63 CO 0.00 0.00 0.00 -2.00 -1.93 0.00 0.00 177.63 173.70 2cup s GLU 64 N -6.30 1.28 -1.09 5.56 2.56 -1.26 -5.03 118.70 114.41 2cup s GLU 64 Ca 0.58 -2.19 -0.07 0.00 0.00 0.00 0.00 54.97 53.28 2cup s GLU 64 Cb -0.26 -2.10 0.29 0.00 2.00 0.00 0.00 34.13 34.06 2cup s GLU 64 CO 0.71 -1.26 1.22 -0.25 -0.56 0.00 0.00 175.26 175.12 2cup n ASP 65 N 3.09 5.76 -4.73 -1.70 8.00 -1.26 -5.04 116.55 120.67 2cup n ASP 65 Ca 0.18 -3.17 -0.34 0.00 0.71 0.00 0.00 54.79 52.17 2cup n ASP 65 Cb 0.39 -1.32 0.09 0.00 -0.02 0.00 0.00 41.12 40.26 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 0.16 4.26 0.54 -2.24 0.01 -1.26 -4.98 113.70 110.19 2cup s SER 66 Ca 0.31 2.30 -0.20 0.00 1.31 0.00 0.00 55.95 59.68 2cup s SER 66 Cb -0.05 -2.58 -0.06 0.00 0.21 0.00 0.00 66.02 63.54 2cup s SER 66 CO -0.02 -2.22 1.13 -2.16 0.41 0.00 0.00 173.24 170.38 2cup s PRO 67 N -3.97 3.37 0.35 12.44 0.04 -1.26 -4.80 135.00 141.16 2cup s PRO 67 Ca 0.73 1.61 0.08 0.00 0.04 0.00 0.00 61.00 63.46 2cup s PRO 67 Cb -0.28 -2.01 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2cup s PRO 67 CO 0.45 -0.84 0.27 0.15 0.04 0.00 0.00 177.00 177.07 2cup s LYS 68 N -3.27 2.61 0.29 4.56 3.01 -1.26 -0.35 119.74 125.32 2cup s LYS 68 Ca 0.73 -1.39 0.08 0.00 -1.01 0.00 0.00 55.97 54.37 2cup s LYS 68 Cb -0.24 -2.39 -0.04 0.00 -1.01 0.00 0.00 37.83 34.16 2cup s LYS 68 CO 0.27 0.06 0.14 0.00 0.51 0.00 0.00 175.35 176.33 2cup n LYS 70 N -1.12 1.59 0.11 0.00 3.00 -1.10 -3.09 118.16 117.56 2cup n LYS 70 Ca -0.05 -0.03 -0.03 0.00 -0.00 0.00 0.00 58.31 58.19 2cup n LYS 70 Cb 0.59 -1.18 0.07 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 1.35 0.01 0.00 3.14 0.00 -1.94 -3.36 103.07 102.28 2cup h GLY 71 Ca -0.10 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.21 2cup h GLY 71 CO 0.01 0.02 -0.45 0.00 0.00 0.00 0.00 176.54 176.11 2cup n PHE 73 N -0.93 -2.04 -4.26 0.00 3.72 -1.18 -5.03 117.46 107.75 2cup n PHE 73 Ca 0.00 0.86 -0.22 0.00 -0.05 0.00 0.00 57.45 58.04 2cup n PHE 73 Cb 0.00 -4.81 -0.12 0.00 -0.94 0.00 0.00 39.48 33.61 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 -5.30 1.06 -0.09 -1.08 1.02 -1.26 -4.88 119.74 109.21 2cup s LYS 74 Ca 0.03 -1.14 -0.29 0.00 0.02 0.00 0.00 55.97 54.59 2cup s LYS 74 Cb -0.01 -1.22 -0.06 0.00 -0.52 0.00 0.00 37.83 36.01 2cup s LYS 74 CO 0.67 0.28 1.92 0.00 -0.92 0.00 0.00 175.35 177.30 2cup s ALA 75 N -1.32 3.30 0.24 5.17 0.00 -1.26 -2.33 121.76 125.55 2cup s ALA 75 Ca 0.05 0.96 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 2cup s ALA 75 Cb -0.09 -3.89 -0.09 0.00 0.00 0.00 0.00 23.12 19.04 2cup s ALA 75 CO 0.04 -1.95 1.03 0.42 0.00 0.00 0.00 175.76 175.31 2cup s ILE 76 N 5.55 3.82 0.37 0.00 1.01 0.52 -4.98 121.20 127.49 2cup s ILE 76 Ca 0.86 1.77 -0.26 0.00 0.00 0.00 0.00 60.65 63.02 2cup s ILE 76 Cb -0.35 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 37.90 2cup s ILE 76 CO 0.36 0.39 1.10 -0.69 0.00 0.00 0.00 174.94 176.10 2cup s VAL 77 N -0.95 3.48 0.18 2.92 1.01 -1.26 -4.23 120.40 121.56 2cup s VAL 77 Ca 0.44 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.50 2cup s VAL 77 Cb -0.29 -3.72 0.14 0.00 0.00 0.00 0.00 36.38 32.52 2cup s VAL 77 CO 0.36 0.13 1.62 0.00 0.00 0.00 0.00 175.10 177.21 2cup h ALA 78 N 2.91 0.14 -0.64 5.51 0.00 -1.95 -2.03 119.26 123.20 2cup h ALA 78 Ca -0.48 0.17 -0.65 0.00 0.00 0.00 0.00 54.91 53.95 2cup h ALA 78 Cb 1.22 0.55 -0.15 0.00 0.00 0.00 0.00 17.79 19.41 2cup h ALA 78 CO 0.64 -0.56 1.55 0.41 0.00 0.00 0.00 179.25 181.29 2cup n GLY 79 N -1.41 4.94 3.13 0.00 0.00 -1.26 -4.91 105.19 105.68 2cup n GLY 79 Ca 0.04 -2.02 -0.23 0.00 0.00 0.00 0.00 46.02 43.80 2cup n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2cup s ASP 80 N 0.25 1.80 -0.85 1.61 2.15 -0.77 -5.08 116.67 115.79 2cup s ASP 80 Ca 0.55 -0.28 -0.25 0.00 0.43 0.00 0.00 52.55 53.00 2cup s ASP 80 Cb 0.27 -0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 42.66 2cup s ASP 80 CO -0.15 0.19 1.73 -1.10 -0.17 0.00 0.00 175.17 175.66 2cup s GLN 81 N -0.34 2.90 0.15 4.34 -0.21 -1.26 -4.94 119.66 120.30 2cup s GLN 81 Ca 0.05 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.14 2cup s GLN 81 Cb -0.06 -4.89 -0.04 0.00 1.00 0.00 0.00 33.01 29.02 2cup s GLN 81 CO -0.00 -2.81 0.31 -0.80 -2.12 0.00 0.00 175.29 169.87 2cup s ASN 82 N 6.77 6.37 -0.29 5.90 0.01 -1.26 -1.47 114.94 130.97 2cup s ASN 82 Ca 0.59 0.29 -0.00 0.00 -0.71 0.00 0.00 52.86 53.03 2cup s ASN 82 Cb -0.06 -1.96 0.05 0.00 0.41 0.00 0.00 41.25 39.68 2cup s ASN 82 CO 0.03 0.04 -0.03 -0.69 -1.51 0.00 0.00 177.10 174.94 2cup s VAL 83 N -1.74 2.76 -0.03 1.60 1.01 0.16 -4.82 120.40 119.33 2cup s VAL 83 Ca 0.36 -1.44 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 2cup s VAL 83 Cb -0.11 -2.59 -0.04 0.00 0.00 0.00 0.00 36.38 33.64 2cup s VAL 83 CO 0.28 -0.07 0.78 -1.61 0.00 0.00 0.00 175.10 174.48 2cup s GLU 84 N 1.21 4.48 -0.26 2.72 2.02 -1.26 0.25 118.70 127.85 2cup s GLU 84 Ca -0.06 1.04 -0.01 0.00 0.02 0.00 0.00 54.97 55.96 2cup s GLU 84 Cb -0.20 -3.44 0.14 0.00 0.10 0.00 0.00 34.13 30.74 2cup s GLU 84 CO -0.02 0.07 0.38 -0.47 0.02 0.00 0.00 175.26 175.24 2cup s TYR 85 N 0.73 -0.86 -0.98 1.61 6.14 -0.40 -4.88 117.35 118.70 2cup s TYR 85 Ca 0.41 0.57 0.00 0.00 0.64 0.00 0.00 57.07 58.69 2cup s TYR 85 Cb -0.19 -0.08 0.00 0.00 0.42 0.00 0.00 41.96 42.11 2cup s TYR 85 CO 0.21 -0.83 0.00 1.17 0.64 0.00 0.00 175.55 176.74 2cup n LYS 86 N 5.36 -0.77 0.00 4.97 3.00 -1.26 -2.87 118.16 126.58 2cup n LYS 86 Ca -0.02 0.67 0.00 0.00 -0.00 0.00 0.00 58.31 58.96 2cup n LYS 86 Cb 0.50 -4.68 0.00 0.00 0.00 0.00 0.00 35.03 30.85 2cup n LYS 86 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2cup n GLY 87 N -1.34 3.02 3.69 3.14 0.00 -1.26 -5.02 105.19 107.41 2cup n GLY 87 Ca -0.11 -0.56 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.63 4.89 0.02 2.61 -4.23 -1.14 -5.02 115.64 111.14 2cup s THR 88 Ca 0.00 1.74 -0.13 0.00 -1.18 0.00 0.00 61.69 62.12 2cup s THR 88 Cb 0.00 -4.18 -0.06 0.00 1.34 0.00 0.00 72.50 69.60 2cup s THR 88 CO 0.00 0.09 0.40 -0.69 -0.54 0.00 0.00 174.62 173.87 2cup s VAL 89 N 1.69 5.06 -0.03 2.29 1.01 -1.26 -1.28 120.40 127.89 2cup s VAL 89 Ca 0.42 0.72 0.02 0.00 0.00 0.00 0.00 61.98 63.14 2cup s VAL 89 Cb -0.18 -3.68 0.01 0.00 0.00 0.00 0.00 36.38 32.53 2cup s VAL 89 CO 0.17 0.50 -0.09 0.26 0.00 0.00 0.00 175.10 175.94 2cup s TRP 90 N -1.16 1.03 0.15 5.22 0.52 0.14 -2.72 118.94 122.12 2cup s TRP 90 Ca 0.26 -0.28 -0.34 0.00 0.02 0.00 0.00 56.10 55.76 2cup s TRP 90 Cb -0.16 -0.75 -0.14 0.00 -1.15 0.00 0.00 33.47 31.27 2cup s TRP 90 CO 0.14 -0.13 1.51 0.72 0.02 0.00 0.00 176.95 179.21 2cup n HIS 91 N 3.42 2.09 -0.46 -1.98 8.25 -1.26 0.35 115.22 125.63 2cup n HIS 91 Ca -0.20 0.36 0.36 0.00 -0.26 0.00 0.00 57.72 57.99 2cup n HIS 91 Cb 0.53 -2.49 0.57 0.00 1.12 0.00 0.00 29.99 29.72 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 3.12 -0.01 -0.07 -0.41 0.00 -0.54 0.11 118.16 120.36 2cup n LYS 92 Ca 0.17 0.83 -0.11 0.00 0.00 0.00 0.00 58.31 59.20 2cup n LYS 92 Cb 0.27 -1.82 -0.08 0.00 0.00 0.00 0.00 35.03 33.40 2cup n LYS 92 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2cup h ASP 93 N 0.00 0.00 -0.82 3.14 3.58 -1.85 -3.36 116.42 117.11 2cup h ASP 93 Ca 0.67 -0.53 0.14 0.00 0.42 0.00 0.00 57.03 57.74 2cup h ASP 93 Cb 2.54 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 43.49 2cup h ASP 93 CO -0.11 0.92 0.39 0.00 -2.88 0.00 0.00 179.24 177.56 2cup n PHE 95 N -4.91 0.64 -2.21 0.00 7.35 0.30 -4.89 117.46 113.75 2cup n PHE 95 Ca 0.16 0.43 -0.39 0.00 -0.76 0.00 0.00 57.45 56.88 2cup n PHE 95 Cb 0.42 -2.11 0.02 0.00 0.35 0.00 0.00 39.48 38.16 2cup n PHE 95 CO 0.00 0.00 0.00 0.43 -0.76 0.00 0.00 176.76 176.43 2cup n SER 96 N -0.82 7.43 -4.48 -2.13 7.64 -1.26 -4.95 113.62 115.05 2cup n SER 96 Ca 0.14 -3.61 -0.43 0.00 1.01 0.00 0.00 58.87 55.97 2cup n SER 96 Cb 0.48 -1.17 -0.09 0.00 -1.01 0.00 0.00 64.21 62.42 2cup n SER 96 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2cup s GLY 97 N -0.85 1.93 -0.02 0.23 0.00 -1.26 -4.96 107.32 102.39 2cup s GLY 97 Ca 0.47 -1.57 -0.26 0.00 0.00 0.00 0.00 44.72 43.36 2cup s GLY 97 CO -0.23 1.07 1.24 -0.56 0.00 0.00 0.00 173.10 174.63 2cup h PRO 98 N 8.68 -0.03 -6.57 2.90 0.13 -2.00 -3.46 132.00 131.65 2cup h PRO 98 Ca -0.27 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.35 2cup h PRO 98 Cb 1.12 0.01 -0.32 0.00 0.13 0.00 0.00 31.00 31.93 2cup h PRO 98 CO 0.77 0.44 -0.75 -1.13 -0.23 0.00 0.00 178.00 177.10 2cup n SER 99 N -4.88 -1.57 -4.69 1.44 3.41 -1.26 -4.71 113.62 101.36 2cup n SER 99 Ca -0.08 -0.99 -0.52 0.00 -0.26 0.00 0.00 58.87 57.01 2cup n SER 99 Cb 0.25 -1.38 -0.06 0.00 -0.26 0.00 0.00 64.21 62.76 2cup n SER 99 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2cup n SER 100 N -2.03 2.99 0.00 4.04 7.64 -1.26 -5.34 113.62 119.65 2cup n SER 100 Ca 0.10 1.02 0.00 0.00 1.01 0.00 0.00 58.87 61.00 2cup n SER 100 Cb 0.40 -1.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.33 2cup n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64