#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1cri n GLU -4 N 0.00 0.00 -4.04 1.09 1.02 -1.26 -5.03 120.64 112.42 1cri n GLU -4 Ca 0.00 -0.57 -0.31 0.00 -0.02 0.00 0.00 57.16 56.26 1cri n GLU -4 Cb 0.00 -0.34 -0.16 0.00 -0.02 0.00 0.00 31.44 30.92 1cri n GLU -4 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 1cri s PHE -3 N 0.00 2.36 -0.15 -0.32 5.36 -1.26 -5.05 117.98 118.91 1cri s PHE -3 Ca 0.00 -1.40 -0.07 0.00 -0.96 0.00 0.00 56.93 54.49 1cri s PHE -3 Cb 0.00 -1.68 -0.04 0.00 -0.34 0.00 0.00 43.02 40.96 1cri s PHE -3 CO 0.00 -0.72 0.10 0.15 -1.46 0.00 0.00 175.22 173.29 1cri s LYS -2 N 1.42 3.74 0.20 10.12 1.02 -1.26 -5.07 119.74 129.91 1cri s LYS -2 Ca 0.04 -0.25 -0.31 0.00 0.02 0.00 0.00 55.97 55.47 1cri s LYS -2 Cb -0.14 -3.21 -0.11 0.00 -0.52 0.00 0.00 37.83 33.86 1cri s LYS -2 CO -0.11 0.50 1.60 0.00 -0.92 0.00 0.00 175.35 176.43 1cri s ALA -1 N -0.26 3.80 0.00 5.17 0.00 -1.26 -4.75 121.76 124.47 1cri s ALA -1 Ca 0.10 1.45 0.00 0.00 0.00 0.00 0.00 51.96 53.51 1cri s ALA -1 Cb -0.12 -3.64 0.00 0.00 0.00 0.00 0.00 23.12 19.36 1cri s ALA -1 CO 0.01 -0.84 0.00 0.41 0.00 0.00 0.00 175.76 175.34 1cri n GLY 1 N 3.44 2.96 3.47 0.00 0.00 -1.25 -4.99 105.19 108.81 1cri n GLY 1 Ca 0.13 -1.82 -0.38 0.00 0.00 0.00 0.00 46.02 43.94 1cri n GLY 1 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1cri s SER 2 N -0.34 5.60 0.34 1.61 0.15 -1.26 -4.93 113.70 114.87 1cri s SER 2 Ca 0.00 -0.39 0.10 0.00 0.70 0.00 0.00 55.95 56.36 1cri s SER 2 Cb 0.00 -2.02 0.62 0.00 -1.71 0.00 0.00 66.02 62.91 1cri s SER 2 CO 0.00 -0.15 1.79 0.00 1.20 0.00 0.00 173.24 176.08 1cri h ALA 3 N 8.35 1.29 -0.19 5.45 0.00 -1.89 -0.55 119.26 131.73 1cri h ALA 3 Ca -0.33 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.11 1cri h ALA 3 Cb 1.16 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1cri h ALA 3 CO 0.60 0.50 -0.34 0.87 0.00 0.00 0.00 179.25 180.88 1cri h LYS 4 N 0.11 0.56 -0.81 0.00 1.57 -1.94 -1.05 116.57 115.01 1cri h LYS 4 Ca 0.01 -0.35 -0.03 0.00 -1.87 0.00 0.00 60.65 58.41 1cri h LYS 4 Cb 0.68 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.99 1cri h LYS 4 CO 0.05 0.96 0.37 -0.22 -0.57 0.00 0.00 179.45 180.04 1cri h LYS 5 N 0.22 1.17 -0.80 3.15 1.63 -1.91 -2.67 116.57 117.36 1cri h LYS 5 Ca 0.01 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.67 1cri h LYS 5 Cb 0.93 -0.21 -0.05 0.00 -0.60 0.00 0.00 32.23 32.31 1cri h LYS 5 CO 0.08 0.91 0.53 0.78 -3.45 0.00 0.00 179.45 178.29 1cri h GLY 6 N 1.17 1.13 1.03 5.01 0.00 -0.79 -2.73 103.07 107.89 1cri h GLY 6 Ca 0.28 -0.39 -0.07 0.00 0.00 0.00 0.00 47.33 47.15 1cri h GLY 6 CO -0.03 0.33 0.11 0.00 0.00 0.00 0.00 176.54 176.95 1cri h ALA 7 N 1.54 0.79 0.00 3.60 0.00 -0.85 -2.32 119.26 122.01 1cri h ALA 7 Ca 0.32 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1cri h ALA 7 Cb 0.06 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 1cri h ALA 7 CO -0.10 0.52 -0.00 1.79 0.00 0.00 0.00 179.25 181.47 1cri h THR 8 N 0.88 0.00 -0.07 0.00 1.35 -1.33 0.11 112.91 113.85 1cri h THR 8 Ca 0.18 -0.77 -0.04 0.00 -0.55 0.00 0.00 66.41 65.23 1cri h THR 8 Cb 0.40 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1cri h THR 8 CO 0.01 0.00 -0.12 -0.07 -0.25 0.00 0.00 175.52 175.09 1cri h LEU 9 N 0.00 0.22 0.13 3.87 4.07 -1.33 -1.00 115.31 121.28 1cri h LEU 9 Ca -0.00 -0.55 0.02 0.00 0.08 0.00 0.00 57.88 57.43 1cri h LEU 9 Cb 0.77 -0.06 -0.04 0.00 1.08 0.00 0.00 40.66 42.40 1cri h LEU 9 CO 0.00 0.73 -0.35 0.15 -1.08 0.00 0.00 178.44 177.90 1cri h PHE 10 N -0.28 -0.96 -0.51 1.13 3.04 -1.26 1.98 116.94 120.09 1cri h PHE 10 Ca 0.00 0.02 0.10 0.00 3.98 0.00 0.00 57.97 62.07 1cri h PHE 10 Cb 0.69 0.40 -0.08 0.00 2.56 0.00 0.00 35.95 39.52 1cri h PHE 10 CO 0.11 -0.46 0.02 0.87 -2.02 0.00 0.00 178.31 176.84 1cri h LYS 11 N -0.58 0.14 0.00 1.11 1.57 -0.91 0.46 116.57 118.35 1cri h LYS 11 Ca 0.03 -0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 1cri h LYS 11 Cb 0.61 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 1cri h LYS 11 CO -0.20 0.09 -0.98 1.79 -0.57 0.00 0.00 179.45 179.58 1cri h THR 12 N 0.14 0.82 0.00 -0.16 1.35 -0.69 -3.32 112.91 111.05 1cri h THR 12 Ca 0.26 -2.29 0.00 0.00 -0.55 0.00 0.00 66.41 63.83 1cri h THR 12 Cb 0.39 2.32 0.00 0.00 -1.73 0.00 0.00 68.15 69.13 1cri h THR 12 CO -0.41 0.47 -1.32 0.54 -0.25 0.00 0.00 175.52 174.54 1cri n ARG 13 N -3.10 0.75 0.00 4.72 5.12 0.67 -4.85 116.66 119.96 1cri n ARG 13 Ca -0.04 -0.08 0.00 0.00 -1.93 0.00 0.00 57.85 55.80 1cri n ARG 13 Cb 0.82 -1.20 0.00 0.00 -1.16 0.00 0.00 32.46 30.92 1cri n ARG 13 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1cri h LEU 15 N 0.00 0.46 -1.58 0.00 5.85 -0.56 -1.10 115.31 118.37 1cri h LEU 15 Ca 0.00 -0.00 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1cri h LEU 15 Cb 0.00 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 40.87 1cri h LEU 15 CO 0.00 0.31 0.53 -0.61 -0.34 0.00 0.00 178.44 178.33 1cri h GLN 16 N 0.53 0.38 -0.00 1.25 4.15 -1.84 -3.18 115.11 116.40 1cri h GLN 16 Ca 0.22 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.62 1cri h GLN 16 Cb 0.20 -0.09 0.00 0.00 0.21 0.00 0.00 27.48 27.80 1cri h GLN 16 CO -0.06 0.25 -0.22 0.00 -1.93 0.00 0.00 178.83 176.87 1cri s HIS 18 N -1.42 0.79 0.18 0.00 3.76 -0.51 0.56 115.29 118.65 1cri s HIS 18 Ca 0.02 -0.64 0.09 0.00 -0.15 0.00 0.00 55.06 54.37 1cri s HIS 18 Cb 0.04 -0.46 -0.04 0.00 1.11 0.00 0.00 32.58 33.22 1cri s HIS 18 CO 0.19 -0.09 -0.08 0.95 -0.85 0.00 0.00 174.74 174.86 1cri s THR 19 N -2.18 3.29 -0.25 1.30 -4.23 -1.26 -4.39 115.64 107.92 1cri s THR 19 Ca -0.02 -1.62 0.04 0.00 -1.18 0.00 0.00 61.69 58.92 1cri s THR 19 Cb -0.05 -2.64 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1cri s THR 19 CO -0.01 -0.11 0.25 1.33 -0.54 0.00 0.00 174.62 175.53 1cri n VAL 20 N -0.00 0.00 -2.33 2.29 0.24 -1.26 -1.05 118.33 116.21 1cri n VAL 20 Ca -0.10 -0.43 -0.32 0.00 -2.04 0.00 0.00 64.34 61.45 1cri n VAL 20 Cb 0.55 1.02 -0.03 0.00 -1.47 0.00 0.00 33.84 33.91 1cri n VAL 20 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 1cri s GLU 21 N -1.18 3.91 -0.16 7.34 1.03 -1.26 -3.66 118.70 124.71 1cri s GLU 21 Ca 0.02 0.93 -0.29 0.00 0.03 0.00 0.00 54.97 55.66 1cri s GLU 21 Cb 0.03 -2.13 -0.05 0.00 -0.80 0.00 0.00 34.13 31.18 1cri s GLU 21 CO 0.14 -0.31 1.97 0.21 -1.33 0.00 0.00 175.26 175.94 1cri s LYS 22 N -4.20 3.58 0.00 -4.83 2.20 -1.26 -0.42 119.74 114.81 1cri s LYS 22 Ca 0.58 2.04 0.00 0.00 -0.36 0.00 0.00 55.97 58.24 1cri s LYS 22 Cb -0.10 -4.22 0.00 0.00 -1.51 0.00 0.00 37.83 32.00 1cri s LYS 22 CO 0.34 -1.57 0.00 0.41 -0.36 0.00 0.00 175.35 174.17 1cri n GLY 23 N 5.13 0.75 3.79 5.54 0.00 -1.26 -5.03 105.19 114.10 1cri n GLY 23 Ca 0.24 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.94 1cri n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1cri s GLY 24 N -1.68 1.81 0.53 -0.02 0.00 0.43 -5.02 107.32 103.37 1cri s GLY 24 Ca 0.00 0.27 -0.02 0.00 0.00 0.00 0.00 44.72 44.97 1cri s GLY 24 CO 0.00 0.60 0.79 2.56 0.00 0.00 0.00 173.10 177.05 1cri s PRO 25 N -4.70 2.89 0.30 2.90 0.04 -1.26 -4.83 135.00 130.33 1cri s PRO 25 Ca 0.61 -0.33 -0.17 0.00 0.04 0.00 0.00 61.00 61.16 1cri s PRO 25 Cb -0.16 -2.42 -0.09 0.00 0.04 0.00 0.00 34.50 31.87 1cri s PRO 25 CO 0.51 -0.55 0.75 -1.01 0.04 0.00 0.00 177.00 176.74 1cri s HIS 26 N -2.79 3.45 0.00 0.56 3.76 -1.26 -4.09 115.29 114.92 1cri s HIS 26 Ca 0.52 1.31 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 1cri s HIS 26 Cb -0.10 -2.59 0.00 0.00 1.11 0.00 0.00 32.58 31.00 1cri s HIS 26 CO 0.41 0.15 0.00 1.63 -0.85 0.00 0.00 174.74 176.08 1cri n LYS 27 N -0.07 0.25 -0.06 1.40 5.02 -1.26 -4.95 118.16 118.49 1cri n LYS 27 Ca 0.02 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.23 1cri n LYS 27 Cb 0.53 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.52 1cri n LYS 27 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 1cri h VAL 28 N 0.00 0.94 -2.25 -0.18 2.07 -1.86 -3.42 116.25 111.55 1cri h VAL 28 Ca 0.00 -0.07 -0.50 0.00 0.82 0.00 0.00 66.70 66.95 1cri h VAL 28 Cb 0.00 0.72 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 1cri h VAL 28 CO 0.00 0.04 -0.49 -0.83 0.02 0.00 0.00 177.57 176.30 1cri s GLY 29 N -2.53 1.38 0.76 2.17 0.00 0.19 -5.06 107.32 104.23 1cri s GLY 29 Ca -0.13 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.16 1cri s GLY 29 CO 0.70 -1.35 1.09 2.56 0.00 0.00 0.00 173.10 176.10 1cri s PRO 30 N -3.80 2.39 0.40 2.90 0.04 -1.26 -4.63 135.00 131.04 1cri s PRO 30 Ca 0.33 0.64 -0.26 0.00 0.04 0.00 0.00 61.00 61.75 1cri s PRO 30 Cb -0.09 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.41 1cri s PRO 30 CO 0.26 -1.40 1.30 1.21 0.04 0.00 0.00 177.00 178.41 1cri s ASN 31 N -4.00 6.34 0.00 6.66 3.84 -1.26 -4.44 114.94 122.08 1cri s ASN 31 Ca 0.60 2.65 0.23 0.00 0.21 0.00 0.00 52.86 56.54 1cri s ASN 31 Cb -0.14 -2.64 0.50 0.00 -0.55 0.00 0.00 41.25 38.42 1cri s ASN 31 CO 0.54 -0.83 1.44 0.18 -2.79 0.00 0.00 177.10 175.64 1cri n LEU 32 N 0.16 3.63 -4.70 3.21 4.77 -0.22 -4.95 117.00 118.90 1cri n LEU 32 Ca 0.03 -1.69 -0.43 0.00 -0.03 0.00 0.00 56.01 53.90 1cri n LEU 32 Cb 0.43 -0.33 -0.03 0.00 -2.33 0.00 0.00 43.42 41.16 1cri n LEU 32 CO 0.56 0.83 1.36 1.57 -1.33 0.00 0.00 177.39 180.37 1cri n HIS 33 N 1.53 2.63 -2.30 -1.77 -0.00 -1.24 -2.26 115.22 111.81 1cri n HIS 33 Ca 0.21 0.05 -0.12 0.00 0.46 0.00 0.00 57.72 58.32 1cri n HIS 33 Cb 0.61 -2.66 -0.00 0.00 -0.12 0.00 0.00 29.99 27.82 1cri n HIS 33 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1cri n GLY 34 N 3.91 -0.12 0.15 1.57 0.00 -0.77 -4.97 105.19 104.95 1cri n GLY 34 Ca 0.17 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.84 1cri n GLY 34 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1cri h ILE 35 N -0.11 1.30 -3.76 -0.61 6.09 -1.71 -3.42 117.51 115.29 1cri h ILE 35 Ca -0.30 -2.01 -0.52 0.00 -1.37 0.00 0.00 64.86 60.66 1cri h ILE 35 Cb 1.22 2.12 0.05 0.00 0.47 0.00 0.00 36.82 40.67 1cri h ILE 35 CO 0.34 0.56 0.61 -0.36 -3.07 0.00 0.00 178.15 176.23 1cri s PHE 36 N -3.57 3.20 0.00 2.19 0.08 -1.26 -2.28 117.98 116.34 1cri s PHE 36 Ca -0.01 1.43 0.00 0.00 0.12 0.00 0.00 56.93 58.47 1cri s PHE 36 Cb 0.12 -3.59 0.00 0.00 -0.57 0.00 0.00 43.02 38.98 1cri s PHE 36 CO 0.74 -1.61 0.00 0.41 -0.10 0.00 0.00 175.22 174.66 1cri n GLY 37 N 1.22 0.52 3.76 4.36 0.00 -0.05 -4.99 105.19 110.00 1cri n GLY 37 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 1cri n GLY 37 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1cri s ARG 38 N -0.49 3.11 0.55 1.61 3.52 -0.97 -4.83 118.95 121.46 1cri s ARG 38 Ca 0.00 -0.36 -0.11 0.00 -0.13 0.00 0.00 55.73 55.13 1cri s ARG 38 Cb 0.00 -2.91 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 1cri s ARG 38 CO 0.00 0.71 0.95 -1.01 -0.81 0.00 0.00 175.30 175.13 1cri s HIS 39 N -1.01 3.56 0.72 5.12 3.76 -1.26 -0.43 115.29 125.75 1cri s HIS 39 Ca 0.17 1.21 -0.11 0.00 -0.15 0.00 0.00 55.06 56.17 1cri s HIS 39 Cb -0.12 -2.63 0.03 0.00 1.11 0.00 0.00 32.58 30.97 1cri s HIS 39 CO 0.06 -0.49 1.08 -1.54 -0.85 0.00 0.00 174.74 173.00 1cri s SER 40 N -3.82 5.00 -0.89 1.40 1.04 0.05 -3.99 113.70 112.49 1cri s SER 40 Ca 0.54 1.76 0.00 0.00 0.48 0.00 0.00 55.95 58.73 1cri s SER 40 Cb -0.11 -2.52 0.00 0.00 0.10 0.00 0.00 66.02 63.50 1cri s SER 40 CO 0.45 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.58 1cri n GLY 41 N -1.42 0.02 0.22 7.32 0.00 -1.26 -4.69 105.19 105.38 1cri n GLY 41 Ca 0.09 -0.46 0.03 0.00 0.00 0.00 0.00 46.02 45.67 1cri n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1cri n GLN 42 N -2.02 0.90 -2.10 1.61 1.13 -1.26 -4.91 117.38 110.72 1cri n GLN 42 Ca -0.12 -0.74 -0.41 0.00 -1.94 0.00 0.00 57.00 53.80 1cri n GLN 42 Cb 0.58 -1.07 -0.02 0.00 0.11 0.00 0.00 30.24 29.84 1cri n GLN 42 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1cri s ALA 43 N -0.75 3.54 0.27 -1.58 0.00 -1.26 -4.98 121.76 117.00 1cri s ALA 43 Ca 0.07 1.25 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 1cri s ALA 43 Cb 0.05 -3.50 -0.09 0.00 0.00 0.00 0.00 23.12 19.59 1cri s ALA 43 CO 0.12 -0.65 0.79 -1.83 0.00 0.00 0.00 175.76 174.19 1cri s GLU 44 N -1.18 4.29 -0.60 0.00 -1.05 -1.26 -3.85 118.70 115.05 1cri s GLU 44 Ca 0.53 0.96 0.00 0.00 -0.15 0.00 0.00 54.97 56.31 1cri s GLU 44 Cb -0.40 -2.74 0.00 0.00 -0.44 0.00 0.00 34.13 30.55 1cri s GLU 44 CO 0.48 0.30 0.00 0.41 0.95 0.00 0.00 175.26 177.40 1cri n GLY 45 N 0.43 0.11 3.05 -3.83 0.00 -1.26 -5.05 105.19 98.64 1cri n GLY 45 Ca 0.00 -0.60 -0.25 0.00 0.00 0.00 0.00 46.02 45.17 1cri n GLY 45 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1cri s TYR 46 N -2.35 1.49 -1.02 1.61 5.04 -1.25 -5.05 117.35 115.82 1cri s TYR 46 Ca 0.00 -0.52 -0.19 0.00 -2.44 0.00 0.00 57.07 53.92 1cri s TYR 46 Cb 0.00 -1.07 0.11 0.00 0.35 0.00 0.00 41.96 41.35 1cri s TYR 46 CO 0.00 -0.25 1.31 0.45 -1.34 0.00 0.00 175.55 175.72 1cri s SER 47 N 0.52 6.67 0.80 4.32 0.15 -1.26 -4.99 113.70 119.90 1cri s SER 47 Ca -0.12 -2.04 -0.12 0.00 0.70 0.00 0.00 55.95 54.37 1cri s SER 47 Cb -0.15 -2.46 0.07 0.00 -1.71 0.00 0.00 66.02 61.78 1cri s SER 47 CO 0.03 -1.16 1.17 -0.31 1.20 0.00 0.00 173.24 174.18 1cri s TYR 48 N 3.32 2.97 0.78 3.44 2.02 -1.26 -5.05 117.35 123.57 1cri s TYR 48 Ca 0.40 0.76 -0.12 0.00 -0.37 0.00 0.00 57.07 57.74 1cri s TYR 48 Cb -0.02 -3.46 0.06 0.00 -0.40 0.00 0.00 41.96 38.14 1cri s TYR 48 CO -0.07 -1.73 1.11 0.95 -1.57 0.00 0.00 175.55 174.24 1cri s THR 49 N -3.55 3.03 0.16 -0.71 -4.23 -1.26 -4.93 115.64 104.14 1cri s THR 49 Ca 0.62 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 61.34 1cri s THR 49 Cb -0.11 -3.17 0.03 0.00 1.34 0.00 0.00 72.50 70.60 1cri s THR 49 CO 0.49 -0.44 1.64 0.44 -0.54 0.00 0.00 174.62 176.21 1cri h ASP 50 N -1.00 0.85 -0.39 3.99 3.45 -1.96 -3.10 116.42 118.25 1cri h ASP 50 Ca -0.47 -0.27 0.05 0.00 0.43 0.00 0.00 57.03 56.77 1cri h ASP 50 Cb 1.27 -0.23 -0.08 0.00 -0.56 0.00 0.00 39.33 39.74 1cri h ASP 50 CO 0.61 0.90 -0.54 0.00 -1.57 0.00 0.00 179.24 178.64 1cri h ALA 51 N 0.97 -0.78 -0.11 3.45 0.00 -1.89 -2.34 119.26 118.57 1cri h ALA 51 Ca 0.16 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1cri h ALA 51 Cb 0.43 1.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1cri h ALA 51 CO 0.01 -1.03 -0.30 0.97 0.00 0.00 0.00 179.25 178.90 1cri h ILE 52 N -0.39 1.25 0.63 0.00 2.10 -1.89 -2.61 117.51 116.60 1cri h ILE 52 Ca 0.07 -1.21 -0.03 0.00 1.08 0.00 0.00 64.86 64.78 1cri h ILE 52 Cb 0.58 1.51 -0.00 0.00 -1.09 0.00 0.00 36.82 37.82 1cri h ILE 52 CO -0.57 0.36 -0.36 0.40 -1.08 0.00 0.00 178.15 176.90 1cri h ILE 53 N 0.18 0.26 -0.55 2.19 2.04 -1.42 -3.17 117.51 117.05 1cri h ILE 53 Ca 0.03 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1cri h ILE 53 Cb 0.63 0.26 -0.03 0.00 -0.74 0.00 0.00 36.82 36.94 1cri h ILE 53 CO 0.05 0.00 0.25 0.11 0.00 0.00 0.00 178.15 178.55 1cri h LYS 54 N -0.93 0.77 -1.00 2.37 1.79 -1.47 -2.69 116.57 115.41 1cri h LYS 54 Ca -0.08 -0.10 0.17 0.00 -2.18 0.00 0.00 60.65 58.46 1cri h LYS 54 Cb 0.74 -0.15 -0.10 0.00 -1.58 0.00 0.00 32.23 31.15 1cri h LYS 54 CO 0.10 0.61 0.62 -0.22 -1.08 0.00 0.00 179.45 179.48 1cri h LYS 55 N 0.77 0.80 -3.48 3.15 1.63 -1.43 -3.45 116.57 114.56 1cri h LYS 55 Ca 0.19 -0.05 -0.29 0.00 -0.85 0.00 0.00 60.65 59.65 1cri h LYS 55 Cb 0.11 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.54 1cri h LYS 55 CO -0.02 0.53 -0.37 -1.71 -3.45 0.00 0.00 179.45 174.43 1cri n ASN 56 N -4.72 -4.40 -4.69 4.20 4.05 -1.01 -4.91 115.26 103.78 1cri n ASN 56 Ca 0.22 0.15 -0.43 0.00 0.45 0.00 0.00 54.58 54.97 1cri n ASN 56 Cb 0.51 -3.73 -0.02 0.00 1.23 0.00 0.00 39.78 37.77 1cri n ASN 56 CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 177.26 174.73 1cri n VAL 57 N -3.46 1.50 -3.37 3.44 0.31 -1.26 -4.60 118.33 110.89 1cri n VAL 57 Ca -0.17 -0.38 -0.41 0.00 -0.01 0.00 0.00 64.34 63.38 1cri n VAL 57 Cb 0.62 -1.55 -0.09 0.00 -0.91 0.00 0.00 33.84 31.92 1cri n VAL 57 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1cri s LEU 58 N -0.49 4.36 -0.26 7.52 1.98 -1.26 -0.77 118.68 129.76 1cri s LEU 58 Ca 0.61 -0.12 -0.29 0.00 -2.89 0.00 0.00 54.13 51.44 1cri s LEU 58 Cb -0.60 -2.39 -0.02 0.00 0.66 0.00 0.00 46.19 43.84 1cri s LEU 58 CO 0.56 -0.34 1.58 0.26 -1.89 0.00 0.00 176.35 176.52 1cri s TRP 59 N 2.09 2.17 0.31 5.38 0.23 0.43 -4.85 118.94 124.69 1cri s TRP 59 Ca 0.13 0.61 0.03 0.00 -2.03 0.00 0.00 56.10 54.84 1cri s TRP 59 Cb -0.16 -4.03 -0.04 0.00 0.03 0.00 0.00 33.47 29.27 1cri s TRP 59 CO 0.12 -2.69 0.12 0.16 0.96 0.00 0.00 176.95 175.62 1cri s ASP 60 N 4.28 1.80 0.53 2.95 1.47 -1.26 -0.87 116.67 125.56 1cri s ASP 60 Ca 0.70 -1.49 0.23 0.00 1.18 0.00 0.00 52.55 53.17 1cri s ASP 60 Cb -0.22 0.25 1.38 0.00 -0.34 0.00 0.00 42.92 43.99 1cri s ASP 60 CO 0.29 -0.80 2.03 1.05 0.68 0.00 0.00 175.17 178.43 1cri h GLU 61 N 2.17 0.00 0.12 2.11 4.11 -1.99 -0.83 114.58 120.28 1cri h GLU 61 Ca -0.37 0.00 -0.30 0.00 0.07 0.00 0.00 59.36 58.77 1cri h GLU 61 Cb 1.25 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.50 1cri h GLU 61 CO 0.59 0.00 -1.45 -0.91 0.07 0.00 0.00 179.01 177.31 1cri h ASN 62 N 0.00 0.39 -0.07 3.06 2.35 -1.97 -2.73 115.58 116.62 1cri h ASN 62 Ca 0.19 -0.51 -0.03 0.00 -0.55 0.00 0.00 56.30 55.40 1cri h ASN 62 Cb 0.76 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 39.00 1cri h ASN 62 CO -0.00 1.41 -0.08 0.78 -1.65 0.00 0.00 177.43 177.90 1cri h ASN 63 N 0.07 0.19 -0.53 5.81 2.35 -1.79 -3.12 115.58 118.55 1cri h ASN 63 Ca -0.21 -0.50 0.05 0.00 -0.55 0.00 0.00 56.30 55.10 1cri h ASN 63 Cb 2.00 -0.05 -0.05 0.00 0.05 0.00 0.00 38.32 40.27 1cri h ASN 63 CO 0.17 0.64 0.25 -0.03 -1.65 0.00 0.00 177.43 176.82 1cri h MET 64 N -0.27 0.47 -0.95 0.81 4.05 -1.28 -0.17 114.93 117.60 1cri h MET 64 Ca 0.01 -0.03 0.03 0.00 -0.28 0.00 0.00 59.70 59.43 1cri h MET 64 Cb 0.59 -0.11 -0.05 0.00 -0.80 0.00 0.00 31.60 31.24 1cri h MET 64 CO 0.02 0.31 0.62 1.03 0.23 0.00 0.00 176.91 179.12 1cri h SER 65 N 0.48 1.05 -0.06 1.39 0.87 -1.51 -0.73 113.55 115.05 1cri h SER 65 Ca 0.24 -0.02 -0.17 0.00 -1.23 0.00 0.00 61.79 60.62 1cri h SER 65 Cb 0.18 -0.25 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 1cri h SER 65 CO -0.19 0.73 -0.56 -0.08 -0.53 0.00 0.00 176.83 176.20 1cri h GLU 66 N 1.22 0.65 -0.43 2.24 4.57 -1.39 -2.22 114.58 119.22 1cri h GLU 66 Ca 0.37 -0.42 -0.06 0.00 -1.18 0.00 0.00 59.36 58.07 1cri h GLU 66 Cb -0.04 0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.58 1cri h GLU 66 CO -0.10 1.03 0.05 0.35 -1.18 0.00 0.00 179.01 179.16 1cri h PHE 67 N 0.50 0.78 0.00 0.92 -0.00 -0.19 -2.66 116.94 116.28 1cri h PHE 67 Ca 0.01 -0.12 -0.05 0.00 -0.00 0.00 0.00 57.97 57.81 1cri h PHE 67 Cb 1.13 -0.21 -0.01 0.00 -0.00 0.00 0.00 35.95 36.86 1cri h PHE 67 CO 0.05 0.76 -0.25 -0.07 -0.00 0.00 0.00 178.31 178.80 1cri h LEU 68 N 0.58 0.00 -0.29 0.59 3.38 -1.15 -1.53 115.31 116.90 1cri h LEU 68 Ca 0.13 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.15 1cri h LEU 68 Cb 0.41 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.12 1cri h LEU 68 CO 0.01 0.25 -0.00 0.74 0.09 0.00 0.00 178.44 179.53 1cri h THR 69 N 0.00 0.79 -0.79 0.22 2.02 -1.03 0.95 112.91 115.06 1cri h THR 69 Ca -0.00 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.24 1cri h THR 69 Cb 0.52 0.70 -0.21 0.00 -1.74 0.00 0.00 68.15 67.42 1cri h THR 69 CO 0.03 0.02 -0.25 0.21 0.37 0.00 0.00 175.52 175.90 1cri s ASN 70 N -5.25 -1.25 0.00 4.18 3.84 -1.09 -3.66 114.94 111.71 1cri s ASN 70 Ca -0.13 0.29 0.00 0.00 0.21 0.00 0.00 52.86 53.23 1cri s ASN 70 Cb 0.12 1.85 0.00 0.00 -0.55 0.00 0.00 41.25 42.67 1cri s ASN 70 CO 0.70 -0.23 0.16 -2.65 -2.79 0.00 0.00 177.10 172.29 1cri n PRO 71 N 5.36 0.25 0.00 0.43 -0.02 -0.59 -1.29 135.00 139.14 1cri n PRO 71 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.52 1cri n PRO 71 Cb 0.54 -1.20 0.00 0.00 -0.02 0.00 0.00 33.50 32.82 1cri n PRO 71 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 1cri n LYS 73 N 0.52 0.00 0.01 -0.52 3.00 -1.26 -1.35 118.16 118.55 1cri n LYS 73 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.31 58.15 1cri n LYS 73 Cb 0.08 0.00 -0.05 0.00 0.00 0.00 0.00 35.03 35.06 1cri n LYS 73 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.40 176.48 1cri h TYR 74 N 0.00 0.95 -2.40 5.64 3.20 -1.52 -3.39 116.97 119.45 1cri h TYR 74 Ca 0.00 -0.44 -0.59 0.00 3.14 0.00 0.00 58.73 60.84 1cri h TYR 74 Cb 0.00 -0.14 -0.38 0.00 1.54 0.00 0.00 36.73 37.75 1cri h TYR 74 CO 0.00 1.26 -0.95 -0.89 -1.64 0.00 0.00 178.16 175.94 1cri n ILE 75 N -3.89 -0.90 -1.73 1.81 5.41 -0.46 -5.10 119.36 114.51 1cri n ILE 75 Ca -0.07 -3.61 -0.42 0.00 1.00 0.00 0.00 62.75 59.65 1cri n ILE 75 Cb 0.76 -1.72 -0.01 0.00 -0.71 0.00 0.00 39.64 37.96 1cri n ILE 75 CO 0.00 0.00 0.00 -2.65 0.00 0.00 0.00 176.55 173.90 1cri n PRO 76 N 2.65 2.46 0.00 0.38 -0.02 -1.26 -1.52 135.00 137.69 1cri n PRO 76 Ca 0.28 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.64 1cri n PRO 76 Cb 0.47 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.37 1cri n PRO 76 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1cri n GLY 77 N 1.56 2.15 3.74 -1.23 0.00 -1.26 -4.87 105.19 105.28 1cri n GLY 77 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 1cri n GLY 77 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1cri n THR 78 N -0.40 2.63 1.31 2.61 5.66 -0.58 -4.76 114.28 120.74 1cri n THR 78 Ca 0.00 -0.50 0.13 0.00 -3.05 0.00 0.00 64.05 60.63 1cri n THR 78 Cb 0.00 -1.73 0.41 0.00 -1.55 0.00 0.00 70.33 67.46 1cri n THR 78 CO 0.00 0.00 0.00 2.29 -3.05 0.00 0.00 175.07 174.31 1cri n LYS 79 N -0.04 1.08 -1.71 1.09 2.85 -1.26 -4.86 118.16 115.32 1cri n LYS 79 Ca 0.05 -0.64 -0.42 0.00 -1.05 0.00 0.00 58.31 56.25 1cri n LYS 79 Cb 0.40 -1.49 -0.03 0.00 -0.65 0.00 0.00 35.03 33.27 1cri n LYS 79 CO 0.00 0.00 0.00 1.41 -0.05 0.00 0.00 177.40 178.76 1cri s MET 80 N -2.36 4.14 -1.15 -1.58 1.75 -1.26 -4.88 119.30 113.96 1cri s MET 80 Ca 0.28 2.58 -0.10 0.00 -1.25 0.00 0.00 55.69 57.19 1cri s MET 80 Cb 0.20 -3.93 0.24 0.00 2.84 0.00 0.00 34.83 34.18 1cri s MET 80 CO 0.47 -0.90 1.24 0.00 -0.65 0.00 0.00 175.02 175.18 1cri n ALA 81 N 6.79 4.16 -3.71 4.11 0.00 -1.26 -4.95 120.51 125.65 1cri n ALA 81 Ca 0.19 -4.53 -0.16 0.00 0.00 0.00 0.00 53.44 48.94 1cri n ALA 81 Cb 0.40 -2.66 -0.15 0.00 0.00 0.00 0.00 19.45 17.04 1cri n ALA 81 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 177.50 177.62 1cri s PHE 82 N -0.39 -0.12 0.37 0.00 2.19 -1.26 -5.03 117.98 113.74 1cri s PHE 82 Ca 0.35 0.47 0.11 0.00 0.33 0.00 0.00 56.93 58.18 1cri s PHE 82 Cb -0.07 -0.22 0.73 0.00 -1.31 0.00 0.00 43.02 42.16 1cri s PHE 82 CO -0.05 -0.20 1.86 0.78 1.83 0.00 0.00 175.22 179.44 1cri h GLY 83 N 7.83 0.12 0.00 13.12 0.00 -1.94 -3.38 103.07 118.83 1cri h GLY 83 Ca -0.28 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.96 1cri h GLY 83 CO 0.29 0.08 0.00 0.61 0.00 0.00 0.00 176.54 177.52 1cri n GLY 84 N -0.62 2.86 3.21 4.60 0.00 -1.26 -4.60 105.19 109.38 1cri n GLY 84 Ca -0.02 -2.00 -0.40 0.00 0.00 0.00 0.00 46.02 43.60 1cri n GLY 84 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1cri s LEU 85 N 0.00 5.63 0.31 0.99 1.43 0.33 -4.98 118.68 122.39 1cri s LEU 85 Ca 0.00 -1.90 0.14 0.00 -1.03 0.00 0.00 54.13 51.33 1cri s LEU 85 Cb 0.00 -1.99 0.46 0.00 0.03 0.00 0.00 46.19 44.68 1cri s LEU 85 CO 0.00 -0.67 1.65 0.11 0.23 0.00 0.00 176.35 177.66 1cri h LYS 86 N 8.41 0.00 -5.96 1.70 1.79 -1.85 -3.36 116.57 117.30 1cri h LYS 86 Ca -0.20 0.00 -0.57 0.00 -2.18 0.00 0.00 60.65 57.70 1cri h LYS 86 Cb 1.07 0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.66 1cri h LYS 86 CO 0.84 0.53 -0.01 0.15 -1.08 0.00 0.00 179.45 179.89 1cri s LYS 87 N -3.57 4.38 0.24 3.15 1.02 -1.26 -4.97 119.74 118.72 1cri s LYS 87 Ca -0.01 0.71 -0.07 0.00 0.02 0.00 0.00 55.97 56.63 1cri s LYS 87 Cb 0.12 -3.42 0.22 0.00 -0.52 0.00 0.00 37.83 34.23 1cri s LYS 87 CO 0.74 0.18 1.87 1.49 -0.92 0.00 0.00 175.35 178.70 1cri h GLU 88 N 6.44 1.27 -0.38 1.68 4.81 -1.99 -2.18 114.58 124.23 1cri h GLU 88 Ca -0.42 -0.13 0.02 0.00 -0.13 0.00 0.00 59.36 58.70 1cri h GLU 88 Cb 1.19 -0.26 -0.03 0.00 0.63 0.00 0.00 28.75 30.28 1cri h GLU 88 CO 0.74 0.91 0.20 1.57 -0.73 0.00 0.00 179.01 181.69 1cri h LYS 89 N 1.29 0.40 -0.61 1.92 2.10 -1.98 0.50 116.57 120.18 1cri h LYS 89 Ca 0.33 -0.02 -0.02 0.00 -2.00 0.00 0.00 60.65 58.94 1cri h LYS 89 Cb -0.02 -0.09 -0.03 0.00 -0.90 0.00 0.00 32.23 31.19 1cri h LYS 89 CO -0.06 0.26 0.31 -0.44 -2.00 0.00 0.00 179.45 177.52 1cri h ASP 90 N 0.41 0.79 -0.37 7.07 3.45 -1.94 -0.44 116.42 125.39 1cri h ASP 90 Ca 0.15 -0.12 -0.10 0.00 0.43 0.00 0.00 57.03 57.40 1cri h ASP 90 Cb 0.04 -0.20 -0.02 0.00 -0.56 0.00 0.00 39.33 38.59 1cri h ASP 90 CO -0.09 0.69 -0.12 0.03 -1.57 0.00 0.00 179.24 178.17 1cri h ARG 91 N 0.84 0.82 -0.37 3.56 3.08 -0.81 -2.15 114.38 119.33 1cri h ARG 91 Ca 0.21 -0.28 -0.05 0.00 0.07 0.00 0.00 59.98 59.93 1cri h ARG 91 Cb 0.09 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1cri h ARG 91 CO -0.03 0.90 0.05 -0.91 -1.07 0.00 0.00 179.97 178.91 1cri h ASN 92 N 0.74 0.61 0.70 7.04 2.35 0.38 0.79 115.58 128.18 1cri h ASN 92 Ca 0.12 -0.27 -0.03 0.00 -0.55 0.00 0.00 56.30 55.57 1cri h ASN 92 Cb 0.62 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.82 1cri h ASN 92 CO 0.04 0.73 -0.48 0.44 -1.65 0.00 0.00 177.43 176.51 1cri h ASP 93 N 0.47 -1.23 -0.84 5.81 3.32 -1.01 0.12 116.42 123.05 1cri h ASP 93 Ca 0.11 0.08 0.13 0.00 0.02 0.00 0.00 57.03 57.37 1cri h ASP 93 Cb 0.39 0.37 -0.09 0.00 0.22 0.00 0.00 39.33 40.22 1cri h ASP 93 CO 0.01 -0.71 0.44 0.25 -1.72 0.00 0.00 179.24 177.51 1cri h LEU 94 N -1.12 0.56 -0.79 1.55 5.85 -1.35 0.09 115.31 120.10 1cri h LEU 94 Ca -0.09 0.08 -0.12 0.00 0.84 0.00 0.00 57.88 58.59 1cri h LEU 94 Cb 0.91 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.92 1cri h LEU 94 CO 0.06 0.26 -0.46 0.40 -0.34 0.00 0.00 178.44 178.36 1cri h ILE 95 N 0.66 1.33 -0.95 4.05 2.04 -0.54 -0.69 117.51 123.41 1cri h ILE 95 Ca 0.44 -1.65 0.00 0.00 1.00 0.00 0.00 64.86 64.66 1cri h ILE 95 Cb 0.58 1.73 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 1cri h ILE 95 CO -0.33 0.50 0.61 0.74 0.00 0.00 0.00 178.15 179.66 1cri h THR 96 N 0.27 1.25 -0.15 -0.27 2.02 0.12 -0.99 112.91 115.16 1cri h THR 96 Ca 0.02 -0.49 -0.03 0.00 0.77 0.00 0.00 66.41 66.68 1cri h THR 96 Cb 0.92 -0.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 1cri h THR 96 CO 0.08 0.25 -0.01 0.22 0.37 0.00 0.00 175.52 176.43 1cri h TYR 97 N 1.29 0.30 -0.35 3.16 3.20 -1.08 -3.03 116.97 120.47 1cri h TYR 97 Ca 0.34 -0.05 -0.02 0.00 3.14 0.00 0.00 58.73 62.14 1cri h TYR 97 Cb -0.11 -0.08 -0.02 0.00 1.54 0.00 0.00 36.73 38.06 1cri h TYR 97 CO 0.00 0.50 0.13 -0.07 -1.64 0.00 0.00 178.16 177.09 1cri h LEU 98 N 0.01 0.49 -0.79 2.82 3.38 -0.90 -0.72 115.31 119.60 1cri h LEU 98 Ca 0.04 -0.18 0.19 0.00 0.09 0.00 0.00 57.88 58.02 1cri h LEU 98 Cb 0.39 -0.13 -0.13 0.00 0.09 0.00 0.00 40.66 40.88 1cri h LEU 98 CO 0.01 0.54 0.09 0.50 0.09 0.00 0.00 178.44 179.66 1cri h LYS 99 N 0.42 0.15 0.15 1.13 3.64 -1.20 0.35 116.57 121.20 1cri h LYS 99 Ca 0.12 -0.01 -0.21 0.00 -1.27 0.00 0.00 60.65 59.28 1cri h LYS 99 Cb 0.21 -0.03 0.02 0.00 -0.41 0.00 0.00 32.23 32.02 1cri h LYS 99 CO -0.01 0.10 -0.90 0.87 -2.27 0.00 0.00 179.45 177.23 1cri h LYS 100 N 0.15 0.35 -0.06 1.90 1.57 -1.39 -3.31 116.57 115.78 1cri h LYS 100 Ca 0.45 -0.58 -0.19 0.00 -1.87 0.00 0.00 60.65 58.47 1cri h LYS 100 Cb 0.83 0.21 -0.01 0.00 0.08 0.00 0.00 32.23 33.34 1cri h LYS 100 CO -0.65 1.27 -0.76 0.00 -0.57 0.00 0.00 179.45 178.75 1cri h ALA 101 N 0.11 0.59 -0.07 3.86 0.00 -0.89 -3.12 119.26 119.74 1cri h ALA 101 Ca -0.16 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.13 1cri h ALA 101 Cb 1.70 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.43 1cri h ALA 101 CO 0.17 0.78 0.00 0.25 0.00 0.00 0.00 179.25 180.45 1cri n THR 102 N -3.81 0.08 1.79 0.00 -2.24 0.09 -4.80 114.28 105.40 1cri n THR 102 Ca -0.04 -0.26 0.14 0.00 -2.27 0.00 0.00 64.05 61.62 1cri n THR 102 Cb 0.72 0.34 0.85 0.00 -2.10 0.00 0.00 70.33 70.14 1cri n THR 102 CO 0.00 0.00 0.00 1.21 -0.57 0.00 0.00 175.07 175.71