#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e1d h HIS 2 N 0.00 -0.11 -4.37 0.00 2.76 -2.12 -3.48 115.15 107.83 3e1d h HIS 2 Ca 0.00 -0.00 -0.35 0.00 -2.20 0.00 0.00 60.37 57.82 3e1d h HIS 2 Cb 0.00 0.04 -0.07 0.00 1.55 0.00 0.00 27.41 28.93 3e1d h HIS 2 CO 0.00 0.38 -0.27 1.63 -1.30 0.00 0.00 177.93 178.36 3e1d n LYS 3 N -4.89 1.05 -2.71 5.26 5.02 -1.26 -5.04 118.16 115.58 3e1d n LYS 3 Ca -0.08 -2.06 -0.04 0.00 -2.02 0.00 0.00 58.31 54.10 3e1d n LYS 3 Cb 0.27 0.79 -0.04 0.00 -0.02 0.00 0.00 35.03 36.04 3e1d n LYS 3 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 3e1d n LYS 4 N -0.64 -3.89 0.00 1.97 4.81 -1.26 -5.04 118.16 114.11 3e1d n LYS 4 Ca -0.08 2.99 0.00 0.00 -0.87 0.00 0.00 58.31 60.35 3e1d n LYS 4 Cb 0.36 -4.21 0.00 0.00 0.02 0.00 0.00 35.03 31.20 3e1d n LYS 4 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3e1d n ALA 5 N 1.84 1.99 -0.76 3.14 0.00 -1.26 -4.94 120.51 120.53 3e1d n ALA 5 Ca -0.32 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.79 3e1d n ALA 5 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 3e1d n ALA 5 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1d n GLY 6 N 0.17 0.54 0.16 0.00 0.00 -1.26 -5.04 105.19 99.76 3e1d n GLY 6 Ca 0.00 -0.74 -0.06 0.00 0.00 0.00 0.00 46.02 45.22 3e1d n GLY 6 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3e1d h GLY 7 N 0.00 -0.33 -1.13 -0.02 0.00 -2.03 -3.50 103.07 96.07 3e1d h GLY 7 Ca 0.00 0.12 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 3e1d h GLY 7 CO 0.00 -0.12 0.01 -1.26 0.00 0.00 0.00 176.54 175.17 3e1d n SER 8 N -4.98 -1.48 0.00 0.19 2.88 -1.26 -5.05 113.62 103.91 3e1d n SER 8 Ca -0.05 -2.56 0.00 0.00 -1.33 0.00 0.00 58.87 54.94 3e1d n SER 8 Cb 0.16 2.63 0.00 0.00 -0.75 0.00 0.00 64.21 66.25 3e1d n SER 8 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 3e1d n THR 9 N -0.49 0.00 0.00 2.46 -2.24 -1.26 -4.81 114.28 107.94 3e1d n THR 9 Ca -0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 3e1d n THR 9 Cb 0.51 -0.09 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 3e1d n THR 9 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3e1d n ARG 10 N -0.22 0.00 0.03 -0.78 -4.01 -1.26 -4.77 116.66 105.65 3e1d n ARG 10 Ca 0.00 0.00 0.21 0.00 -1.04 0.00 0.00 57.85 57.02 3e1d n ARG 10 Cb 0.00 -1.39 0.72 0.00 -3.04 0.00 0.00 32.46 28.76 3e1d n ARG 10 CO 0.00 0.00 0.00 -2.95 -3.04 0.00 0.00 177.63 171.64 3e1d h ASN 11 N 3.81 0.00 0.00 2.89 -1.07 -2.05 -3.44 115.58 115.72 3e1d h ASN 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 3e1d h ASN 11 Cb 0.00 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.25 3e1d h ASN 11 CO 0.01 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.12 3e1d n GLY 12 N -1.58 0.51 3.67 9.14 0.00 -1.26 -5.12 105.19 110.55 3e1d n GLY 12 Ca 0.09 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.97 3e1d n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3e1d n ARG 13 N 0.00 1.29 -4.21 1.61 1.74 -1.26 -5.08 116.66 110.75 3e1d n ARG 13 Ca 0.00 0.48 -0.12 0.00 -0.77 0.00 0.00 57.85 57.44 3e1d n ARG 13 Cb 0.00 -2.34 -0.10 0.00 -1.02 0.00 0.00 32.46 29.00 3e1d n ARG 13 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 3e1d s ASP 14 N -1.06 0.59 0.00 0.55 1.47 -1.26 -5.11 116.67 111.85 3e1d s ASP 14 Ca 0.73 -1.29 0.00 0.00 1.18 0.00 0.00 52.55 53.17 3e1d s ASP 14 Cb -0.43 0.26 0.00 0.00 -0.34 0.00 0.00 42.92 42.41 3e1d s ASP 14 CO 0.49 -0.73 0.00 -1.54 0.68 0.00 0.00 175.17 174.06 3e1d n SER 15 N -0.24 0.00 -0.07 2.11 3.41 -1.26 -4.99 113.62 112.57 3e1d n SER 15 Ca -0.02 0.00 0.02 0.00 -0.26 0.00 0.00 58.87 58.61 3e1d n SER 15 Cb 0.65 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.62 3e1d n SER 15 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3e1d n GLU 16 N -0.49 1.49 0.20 4.33 1.02 -1.26 -4.71 120.64 121.22 3e1d n GLU 16 Ca 0.00 -1.37 0.13 0.00 -0.02 0.00 0.00 57.16 55.90 3e1d n GLU 16 Cb 0.00 -0.90 0.37 0.00 -0.02 0.00 0.00 31.44 30.89 3e1d n GLU 16 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3e1d h ALA 17 N 0.00 1.00 -2.85 0.62 0.00 -1.88 -3.27 119.26 112.89 3e1d h ALA 17 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 3e1d h ALA 17 Cb 0.84 0.00 0.09 0.00 0.00 0.00 0.00 17.79 18.72 3e1d h ALA 17 CO 0.00 0.00 0.85 -1.59 0.00 0.00 0.00 179.25 178.51 3e1d s LYS 18 N -3.29 4.12 0.09 0.00 -2.85 -1.26 -3.62 119.74 112.93 3e1d s LYS 18 Ca 0.06 2.57 -0.35 0.00 -1.00 0.00 0.00 55.97 57.25 3e1d s LYS 18 Cb 0.08 -3.01 -0.16 0.00 -2.06 0.00 0.00 37.83 32.68 3e1d s LYS 18 CO 0.60 -0.59 1.57 -0.09 0.10 0.00 0.00 175.35 176.94 3e1d h ARG 19 N 4.23 -0.91 0.00 1.78 2.43 -1.92 -2.08 114.38 117.92 3e1d h ARG 19 Ca -0.48 0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.75 3e1d h ARG 19 Cb 1.23 0.21 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 3e1d h ARG 19 CO 0.74 -0.61 0.00 1.28 -1.51 0.00 0.00 179.97 179.88 3e1d n LEU 20 N -5.54 0.00 -4.21 3.80 4.77 -1.26 -1.20 117.00 113.36 3e1d n LEU 20 Ca -0.11 0.00 -0.26 0.00 -0.03 0.00 0.00 56.01 55.60 3e1d n LEU 20 Cb 0.45 0.00 -0.15 0.00 -2.33 0.00 0.00 43.42 41.38 3e1d n LEU 20 CO 0.26 0.00 -0.52 -0.83 -1.33 0.00 0.00 177.39 174.97 3e1d s GLY 21 N 0.00 0.97 0.00 -0.72 0.00 -1.26 -4.95 107.32 101.36 3e1d s GLY 21 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 44.72 43.86 3e1d s GLY 21 CO 0.00 -0.72 0.01 -0.62 0.00 0.00 0.00 173.10 171.77 3e1d n VAL 22 N 2.57 0.00 0.00 1.40 0.31 -1.26 -4.81 118.33 116.54 3e1d n VAL 22 Ca -0.15 0.04 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 3e1d n VAL 22 Cb 0.53 -0.09 0.00 0.00 -0.91 0.00 0.00 33.84 33.37 3e1d n VAL 22 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 3e1d n LYS 23 N -0.11 0.00 -2.57 5.55 4.81 -1.26 -5.09 118.16 119.49 3e1d n LYS 23 Ca 0.00 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 57.03 3e1d n LYS 23 Cb 0.00 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 3e1d n LYS 23 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 3e1d s ARG 24 N -2.00 3.23 0.00 1.64 3.00 -1.26 -4.96 118.95 118.60 3e1d s ARG 24 Ca 0.00 -0.21 0.00 0.00 -1.00 0.00 0.00 55.73 54.52 3e1d s ARG 24 Cb 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 34.95 30.79 3e1d s ARG 24 CO 0.00 -2.06 0.00 1.19 0.00 0.00 0.00 175.30 174.43 3e1d n PHE 25 N 9.14 -2.22 0.00 5.12 3.72 -1.26 -5.05 117.46 126.90 3e1d n PHE 25 Ca 0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.43 3e1d n PHE 25 Cb 0.49 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.03 3e1d n PHE 25 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3e1d n GLY 26 N 5.00 -0.53 3.15 1.37 0.00 -1.25 -3.99 105.19 108.94 3e1d n GLY 26 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 3e1d n GLY 26 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3e1d s GLY 27 N -0.13 -0.87 0.49 -0.02 0.00 -1.26 -4.95 107.32 100.58 3e1d s GLY 27 Ca 0.00 2.16 0.00 0.00 0.00 0.00 0.00 44.72 46.88 3e1d s GLY 27 CO 0.00 4.07 0.00 1.18 0.00 0.00 0.00 173.10 178.35 3e1d n GLU 28 N 5.15 -2.79 -4.26 2.90 -0.58 -1.26 -5.09 120.64 114.71 3e1d n GLU 28 Ca 0.08 2.22 -0.14 0.00 -0.42 0.00 0.00 57.16 58.89 3e1d n GLU 28 Cb 0.57 -3.29 -0.10 0.00 -0.57 0.00 0.00 31.44 28.06 3e1d n GLU 28 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 3e1d s SER 29 N -6.83 0.96 0.27 1.62 1.04 -1.26 -5.00 113.70 104.50 3e1d s SER 29 Ca 0.00 -1.30 0.02 0.00 0.48 0.00 0.00 55.95 55.15 3e1d s SER 29 Cb 0.00 0.19 -0.05 0.00 0.10 0.00 0.00 66.02 66.26 3e1d s SER 29 CO 0.00 -0.70 0.09 -0.69 0.98 0.00 0.00 173.24 172.92 3e1d s VAL 30 N -3.81 0.68 -0.52 5.02 1.01 -1.26 -5.04 120.40 116.48 3e1d s VAL 30 Ca 0.32 -2.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.26 3e1d s VAL 30 Cb 0.07 -2.66 -0.07 0.00 0.00 0.00 0.00 36.38 33.72 3e1d s VAL 30 CO 0.09 -0.01 1.93 0.18 0.00 0.00 0.00 175.10 177.30 3e1d n LEU 31 N -0.50 3.57 0.08 3.92 4.77 -1.26 -4.64 117.00 122.94 3e1d n LEU 31 Ca -0.00 -2.31 0.03 0.00 -0.03 0.00 0.00 56.01 53.70 3e1d n LEU 31 Cb 0.66 -0.89 0.17 0.00 -2.33 0.00 0.00 43.42 41.04 3e1d n LEU 31 CO 0.38 0.38 0.65 0.00 -1.33 0.00 0.00 177.39 177.47 3e1d n ALA 32 N 3.83 0.60 0.00 -1.18 0.00 -1.26 -4.24 120.51 118.26 3e1d n ALA 32 Ca 0.32 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.81 3e1d n ALA 32 Cb 0.21 -0.68 0.00 0.00 0.00 0.00 0.00 19.45 18.98 3e1d n ALA 32 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1d n GLY 33 N -1.28 -1.72 0.00 0.00 0.00 -1.26 -4.07 105.19 96.86 3e1d n GLY 33 Ca -0.00 0.77 0.00 0.00 0.00 0.00 0.00 46.02 46.78 3e1d n GLY 33 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3e1d n SER 34 N 0.00 0.00 0.00 1.61 2.88 -0.34 -4.78 113.62 112.99 3e1d n SER 34 Ca 0.00 0.83 0.00 0.00 -1.33 0.00 0.00 58.87 58.37 3e1d n SER 34 Cb 0.00 -0.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.98 3e1d n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3e1d n ILE 35 N -1.95 0.00 -4.03 2.46 5.41 -0.78 -4.71 119.36 115.75 3e1d n ILE 35 Ca 0.00 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.64 3e1d n ILE 35 Cb 0.00 0.00 -0.11 0.00 -0.71 0.00 0.00 39.64 38.82 3e1d n ILE 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 176.55 176.04 3e1d s ILE 36 N 0.00 0.34 -0.75 1.39 -1.16 -1.23 -4.52 121.20 115.28 3e1d s ILE 36 Ca 0.00 -1.05 0.02 0.00 -0.51 0.00 0.00 60.65 59.11 3e1d s ILE 36 Cb 0.00 -0.51 0.13 0.00 0.61 0.00 0.00 42.46 42.69 3e1d s ILE 36 CO 0.00 -0.47 0.78 1.33 -2.81 0.00 0.00 174.94 173.77 3e1d n VAL 37 N 1.44 0.60 -3.87 4.00 0.24 -1.26 -4.65 118.33 114.84 3e1d n VAL 37 Ca -0.23 -0.25 -0.10 0.00 -2.04 0.00 0.00 64.34 61.72 3e1d n VAL 37 Cb 0.55 -0.54 -0.09 0.00 -1.47 0.00 0.00 33.84 32.30 3e1d n VAL 37 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 3e1d s ARG 38 N -1.17 0.64 0.02 7.34 3.52 -1.26 -5.02 118.95 123.02 3e1d s ARG 38 Ca 0.09 -0.62 0.01 0.00 -0.13 0.00 0.00 55.73 55.08 3e1d s ARG 38 Cb 0.07 0.26 -0.02 0.00 -1.56 0.00 0.00 34.95 33.71 3e1d s ARG 38 CO 0.03 -0.18 -0.04 -0.65 -0.81 0.00 0.00 175.30 173.65 3e1d s GLN 39 N -2.39 0.34 0.23 5.12 -1.52 -1.26 -4.59 119.66 115.58 3e1d s GLN 39 Ca -0.07 -0.54 -0.18 0.00 -1.95 0.00 0.00 55.36 52.62 3e1d s GLN 39 Cb -0.02 -0.05 0.02 0.00 -0.22 0.00 0.00 33.01 32.74 3e1d s GLN 39 CO -0.03 -0.00 0.58 -0.98 -0.25 0.00 0.00 175.29 174.60 3e1d s ARG 40 N -1.21 1.52 -0.20 2.91 1.70 0.98 -4.87 118.95 119.78 3e1d s ARG 40 Ca -0.11 -0.94 -0.18 0.00 -0.47 0.00 0.00 55.73 54.03 3e1d s ARG 40 Cb -0.08 0.54 -0.08 0.00 -0.57 0.00 0.00 34.95 34.76 3e1d s ARG 40 CO -0.00 -0.66 0.75 0.41 -1.08 0.00 0.00 175.30 174.71 3e1d n GLY 41 N -0.39 0.01 2.01 3.88 0.00 -1.26 -3.07 105.19 106.37 3e1d n GLY 41 Ca -0.07 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.37 3e1d n GLY 41 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3e1d n THR 42 N 2.08 0.00 0.00 2.61 -1.04 -1.26 -4.67 114.28 112.00 3e1d n THR 42 Ca 0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 3e1d n THR 42 Cb -0.02 -0.14 0.00 0.00 -1.82 0.00 0.00 70.33 68.35 3e1d n THR 42 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 3e1d n LYS 43 N -2.83 0.00 -4.81 -2.82 5.02 -0.32 -4.82 118.16 107.58 3e1d n LYS 43 Ca 0.00 0.00 -0.26 0.00 -2.02 0.00 0.00 58.31 56.03 3e1d n LYS 43 Cb 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 35.03 34.85 3e1d n LYS 43 CO 0.00 0.00 0.00 0.12 -0.52 0.00 0.00 177.40 177.00 3e1d s PHE 44 N 0.00 1.76 0.09 2.13 2.19 -1.26 0.21 117.98 123.10 3e1d s PHE 44 Ca 0.00 -0.59 0.02 0.00 0.33 0.00 0.00 56.93 56.69 3e1d s PHE 44 Cb 0.00 -1.21 -0.04 0.00 -1.31 0.00 0.00 43.02 40.46 3e1d s PHE 44 CO 0.00 -0.24 -0.07 -3.38 1.83 0.00 0.00 175.22 173.36 3e1d s HIS 45 N 0.28 0.89 0.14 10.12 -3.43 -1.26 -3.71 115.29 118.32 3e1d s HIS 45 Ca -0.09 -0.86 0.00 0.00 -0.80 0.00 0.00 55.06 53.31 3e1d s HIS 45 Cb -0.14 -0.51 0.00 0.00 -1.43 0.00 0.00 32.58 30.50 3e1d s HIS 45 CO 0.04 -0.13 0.00 0.00 -2.00 0.00 0.00 174.74 172.65 3e1d n ALA 46 N 0.12 3.00 0.00 -1.38 0.00 -0.66 -4.71 120.51 116.89 3e1d n ALA 46 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 3e1d n ALA 46 Cb 0.60 0.20 0.00 0.00 0.00 0.00 0.00 19.45 20.25 3e1d n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3e1d n GLY 47 N 2.94 -1.77 1.93 0.00 0.00 -1.26 -2.92 105.19 104.11 3e1d n GLY 47 Ca 0.00 0.92 -0.00 0.00 0.00 0.00 0.00 46.02 46.94 3e1d n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1d n ALA 48 N 0.00 2.81 -1.17 4.61 0.00 -1.26 -4.73 120.51 120.77 3e1d n ALA 48 Ca 0.00 -1.88 -0.29 0.00 0.00 0.00 0.00 53.44 51.27 3e1d n ALA 48 Cb 0.00 -0.70 0.19 0.00 0.00 0.00 0.00 19.45 18.94 3e1d n ALA 48 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 3e1d s ASN 49 N -2.13 2.15 0.72 0.00 3.04 -1.26 -4.84 114.94 112.62 3e1d s ASN 49 Ca 0.21 0.99 -0.16 0.00 0.04 0.00 0.00 52.86 53.94 3e1d s ASN 49 Cb 0.30 -1.53 0.01 0.00 -1.54 0.00 0.00 41.25 38.49 3e1d s ASN 49 CO -0.09 -3.40 1.01 0.55 -3.04 0.00 0.00 177.10 172.12 3e1d n VAL 50 N -4.33 2.90 0.00 -5.21 3.14 -1.26 -1.85 118.33 111.72 3e1d n VAL 50 Ca 0.07 -0.37 0.00 0.00 -2.96 0.00 0.00 64.34 61.09 3e1d n VAL 50 Cb 0.58 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.23 3e1d n VAL 50 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3e1d n GLY 51 N 1.04 1.68 0.00 7.55 0.00 -1.26 -4.02 105.19 110.18 3e1d n GLY 51 Ca 0.13 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.13 3e1d n GLY 51 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e1d n GLY 53 N 0.16 -0.49 0.79 0.00 0.00 -0.77 -4.86 105.19 100.02 3e1d n GLY 53 Ca 0.00 0.05 0.05 0.00 0.00 0.00 0.00 46.02 46.12 3e1d n GLY 53 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3e1d n ARG 54 N -3.27 2.11 -0.06 1.61 3.00 -1.26 -4.14 116.66 114.64 3e1d n ARG 54 Ca -0.07 -1.34 0.00 0.00 -0.00 0.00 0.00 57.85 56.44 3e1d n ARG 54 Cb 0.57 -1.44 0.00 0.00 0.00 0.00 0.00 32.46 31.59 3e1d n ARG 54 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 3e1d n ASP 55 N 0.47 1.13 -4.55 6.15 3.85 -1.26 -4.94 116.55 117.40 3e1d n ASP 55 Ca 0.12 -0.92 -0.40 0.00 -0.71 0.00 0.00 54.79 52.89 3e1d n ASP 55 Cb 0.41 -0.22 -0.03 0.00 -1.35 0.00 0.00 41.12 39.93 3e1d n ASP 55 CO 0.00 0.00 0.00 -2.28 -1.01 0.00 0.00 177.20 173.91 3e1d s HIS 56 N 1.02 2.18 -0.66 2.11 2.46 -1.26 -4.47 115.29 116.67 3e1d s HIS 56 Ca 0.00 0.02 0.07 0.00 0.47 0.00 0.00 55.06 55.61 3e1d s HIS 56 Cb 0.00 -4.51 0.15 0.00 -0.13 0.00 0.00 32.58 28.09 3e1d s HIS 56 CO 0.00 -2.08 1.03 -2.37 -2.47 0.00 0.00 174.74 168.85 3e1d n THR 57 N 6.70 0.72 -0.07 0.89 5.66 -1.15 -4.97 114.28 122.07 3e1d n THR 57 Ca 0.13 -0.86 0.21 0.00 -3.05 0.00 0.00 64.05 60.48 3e1d n THR 57 Cb 0.50 0.68 0.35 0.00 -1.55 0.00 0.00 70.33 70.32 3e1d n THR 57 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 3e1d h LEU 58 N 1.28 0.00 -1.51 1.09 3.38 -1.84 -3.00 115.31 114.72 3e1d h LEU 58 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3e1d h LEU 58 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 3e1d h LEU 58 CO 0.00 0.00 0.45 -0.26 0.09 0.00 0.00 178.44 178.72 3e1d h PHE 59 N 0.00 0.00 0.00 1.13 -1.00 -1.88 -2.96 116.94 112.23 3e1d h PHE 59 Ca 0.36 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.14 3e1d h PHE 59 Cb 2.60 0.00 0.00 0.00 3.61 0.00 0.00 35.95 42.16 3e1d h PHE 59 CO 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 178.31 176.70 3e1d n ALA 60 N -1.78 1.13 0.00 2.45 0.00 -1.13 -3.85 120.51 117.33 3e1d n ALA 60 Ca -0.02 0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 3e1d n ALA 60 Cb 0.48 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3e1d n ALA 60 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 3e1d n LYS 61 N -1.57 0.00 0.00 0.00 2.85 -1.17 -1.62 118.16 116.65 3e1d n LYS 61 Ca 0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.27 3e1d n LYS 61 Cb 0.04 -0.46 0.00 0.00 -0.65 0.00 0.00 35.03 33.96 3e1d n LYS 61 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 3e1d n ALA 62 N 0.00 0.00 -3.15 0.58 0.00 -1.26 -4.82 120.51 111.86 3e1d n ALA 62 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3e1d n ALA 62 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3e1d n ALA 62 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3e1d s ASP 63 N -0.94 -1.16 -0.29 0.00 3.68 -0.64 -4.40 116.67 112.92 3e1d s ASP 63 Ca 0.00 0.44 0.08 0.00 2.13 0.00 0.00 52.55 55.20 3e1d s ASP 63 Cb 0.00 1.86 0.48 0.00 -1.45 0.00 0.00 42.92 43.80 3e1d s ASP 63 CO 0.00 -0.21 1.39 0.61 0.13 0.00 0.00 175.17 177.09 3e1d n GLY 64 N 5.39 5.26 7.00 2.66 0.00 0.13 -4.70 105.19 120.93 3e1d n GLY 64 Ca 0.01 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.50 3e1d n GLY 64 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3e1d n LYS 65 N -1.05 0.00 -3.70 1.61 3.00 -1.22 -4.76 118.16 112.03 3e1d n LYS 65 Ca 0.33 0.00 -0.14 0.00 -0.00 0.00 0.00 58.31 58.50 3e1d n LYS 65 Cb 0.93 0.00 -0.14 0.00 0.00 0.00 0.00 35.03 35.82 3e1d n LYS 65 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 3e1d s VAL 66 N 0.00 -0.21 0.15 3.15 1.01 -1.26 -1.18 120.40 122.06 3e1d s VAL 66 Ca 0.00 0.24 0.01 0.00 0.00 0.00 0.00 61.98 62.23 3e1d s VAL 66 Cb 0.00 -0.36 -0.00 0.00 0.00 0.00 0.00 36.38 36.01 3e1d s VAL 66 CO 0.00 0.10 0.18 1.17 0.00 0.00 0.00 175.10 176.55 3e1d n LYS 67 N 4.82 0.26 -3.28 2.72 4.81 -1.18 -4.24 118.16 122.07 3e1d n LYS 67 Ca -0.15 -1.30 -0.20 0.00 -0.87 0.00 0.00 58.31 55.79 3e1d n LYS 67 Cb 0.51 1.18 0.01 0.00 0.02 0.00 0.00 35.03 36.75 3e1d n LYS 67 CO 0.00 0.00 0.00 0.12 1.17 0.00 0.00 177.40 178.69 3e1d s PHE 68 N -3.51 2.26 -2.00 5.64 5.36 -1.26 -0.01 117.98 124.45 3e1d s PHE 68 Ca 0.14 -0.57 0.08 0.00 -0.96 0.00 0.00 56.93 55.63 3e1d s PHE 68 Cb 0.00 -2.22 0.48 0.00 -0.34 0.00 0.00 43.02 40.94 3e1d s PHE 68 CO 0.10 -0.54 0.90 -0.85 -1.46 0.00 0.00 175.22 173.37 3e1d n GLU 69 N -1.86 0.31 -2.56 10.12 0.28 -1.26 -4.35 120.64 121.32 3e1d n GLU 69 Ca 0.08 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.67 3e1d n GLU 69 Cb 0.61 -1.41 -0.03 0.00 1.43 0.00 0.00 31.44 32.04 3e1d n GLU 69 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 3e1d s VAL 70 N -2.00 3.82 -0.89 3.84 1.01 -1.26 -3.92 120.40 120.99 3e1d s VAL 70 Ca 0.12 -0.14 -0.05 0.00 0.00 0.00 0.00 61.98 61.91 3e1d s VAL 70 Cb 0.06 -4.98 -0.02 0.00 0.00 0.00 0.00 36.38 31.44 3e1d s VAL 70 CO 0.09 -1.89 0.75 0.29 0.00 0.00 0.00 175.10 174.34 3e1d n LYS 71 N 9.14 -1.53 -1.23 2.72 5.02 -1.26 -4.95 118.16 126.07 3e1d n LYS 71 Ca 0.17 1.06 -0.00 0.00 -2.02 0.00 0.00 58.31 57.51 3e1d n LYS 71 Cb 0.50 -4.96 0.00 0.00 -0.02 0.00 0.00 35.03 30.55 3e1d n LYS 71 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3e1d n GLY 72 N -1.62 2.35 3.90 0.72 0.00 -1.26 -5.09 105.19 104.19 3e1d n GLY 72 Ca -0.08 -1.13 -0.29 0.00 0.00 0.00 0.00 46.02 44.52 3e1d n GLY 72 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3e1d s PRO 73 N -2.01 1.89 -0.44 1.61 0.04 -1.25 -4.58 135.00 130.26 3e1d s PRO 73 Ca 0.00 0.08 -0.17 0.00 0.04 0.00 0.00 61.00 60.96 3e1d s PRO 73 Cb -0.00 -1.95 -0.17 0.00 0.04 0.00 0.00 34.50 32.43 3e1d s PRO 73 CO 0.00 -1.64 1.50 1.17 0.04 0.00 0.00 177.00 178.07 3e1d n LYS 74 N -3.34 0.04 -3.62 4.56 4.81 -1.26 -4.84 118.16 114.50 3e1d n LYS 74 Ca 0.08 -0.88 -0.27 0.00 -0.87 0.00 0.00 58.31 56.37 3e1d n LYS 74 Cb 0.61 -2.47 -0.10 0.00 0.02 0.00 0.00 35.03 33.09 3e1d n LYS 74 CO 0.00 0.00 0.00 0.27 1.17 0.00 0.00 177.40 178.84 3e1d n ASN 75 N 11.54 3.31 0.24 3.14 2.04 -1.26 -4.92 115.26 129.35 3e1d n ASN 75 Ca 0.25 -3.31 0.10 0.00 -0.44 0.00 0.00 54.58 51.18 3e1d n ASN 75 Cb 0.44 -0.71 0.58 0.00 -2.53 0.00 0.00 39.78 37.56 3e1d n ASN 75 CO 0.00 0.00 0.00 -0.09 -0.44 0.00 0.00 177.26 176.73 3e1d h ARG 76 N 4.71 0.00 0.00 -3.83 2.43 -1.89 -1.76 114.38 114.05 3e1d h ARG 76 Ca 0.18 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 3e1d h ARG 76 Cb 0.71 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 3e1d h ARG 76 CO 0.77 0.20 0.00 0.36 -1.51 0.00 0.00 179.97 179.79 3e1d n LYS 77 N -3.65 0.00 0.00 0.20 2.85 -1.26 -4.35 118.16 111.95 3e1d n LYS 77 Ca -0.01 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.25 3e1d n LYS 77 Cb 0.33 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.71 3e1d n LYS 77 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 3e1d n PHE 78 N 0.00 0.00 -2.71 5.58 7.35 -1.26 -4.92 117.46 121.50 3e1d n PHE 78 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 3e1d n PHE 78 Cb 0.00 0.00 -0.04 0.00 0.35 0.00 0.00 39.48 39.79 3e1d n PHE 78 CO 0.00 0.00 0.00 0.96 -0.76 0.00 0.00 176.76 176.96 3e1d s ILE 79 N 0.00 4.68 0.00 -2.13 -5.25 -1.26 -1.28 121.20 115.96 3e1d s ILE 79 Ca 0.00 2.04 0.00 0.00 -0.99 0.00 0.00 60.65 61.70 3e1d s ILE 79 Cb 0.00 -4.31 0.00 0.00 2.95 0.00 0.00 42.46 41.10 3e1d s ILE 79 CO 0.00 0.22 0.00 -1.54 -1.79 0.00 0.00 174.94 171.83 3e1d n SER 80 N 3.42 0.18 0.21 4.36 3.41 -1.26 -4.75 113.62 119.18 3e1d n SER 80 Ca 0.05 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 3e1d n SER 80 Cb 0.50 0.00 0.39 0.00 -0.26 0.00 0.00 64.21 64.84 3e1d n SER 80 CO 0.00 0.00 0.00 -0.29 -0.16 0.00 0.00 175.04 174.59 3e1d h ILE 81 N 0.00 0.04 0.00 -1.33 2.10 -1.86 -3.42 117.51 113.04 3e1d h ILE 81 Ca 0.00 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.94 3e1d h ILE 81 Cb 0.00 0.26 0.00 0.00 -1.09 0.00 0.00 36.82 35.99 3e1d h ILE 81 CO 0.00 0.00 0.00 1.21 -1.08 0.00 0.00 178.15 178.28 3e1d n GLU 82 N -2.87 0.00 -3.94 2.19 2.13 -1.26 -5.07 120.64 111.81 3e1d n GLU 82 Ca 0.04 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.77 3e1d n GLU 82 Cb 0.88 0.00 -0.12 0.00 0.27 0.00 0.00 31.44 32.47 3e1d n GLU 82 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3e1d s ALA 83 N -1.61 0.06 -2.00 4.31 0.00 -1.26 -4.54 121.76 116.72 3e1d s ALA 83 Ca 0.00 -0.40 0.27 0.00 0.00 0.00 0.00 51.96 51.83 3e1d s ALA 83 Cb 0.00 0.10 1.63 0.00 0.00 0.00 0.00 23.12 24.85 3e1d s ALA 83 CO 0.00 -0.12 1.98 -1.91 0.00 0.00 0.00 175.76 175.71