#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j28 s TYR 2 N 0.00 0.58 0.62 2.03 2.02 -1.26 -4.76 117.35 116.58 2j28 s TYR 2 Ca 0.00 -0.83 -0.14 0.00 -0.37 0.00 0.00 57.07 55.74 2j28 s TYR 2 Cb 0.00 -0.38 -0.12 0.00 -0.40 0.00 0.00 41.96 41.06 2j28 s TYR 2 CO 0.00 -0.24 -0.41 0.00 -1.57 0.00 0.00 175.55 173.33 2j28 n ALA 3 N 0.60 -3.98 0.00 3.71 0.00 -1.12 -4.59 120.51 115.13 2j28 n ALA 3 Ca -0.17 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 52.94 2j28 n ALA 3 Cb 0.59 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 19.06 2j28 n ALA 3 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 2j28 n VAL 4 N -1.63 0.00 -0.42 0.00 0.24 -1.26 -4.57 118.33 110.69 2j28 n VAL 4 Ca 0.02 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.19 2j28 n VAL 4 Cb 0.41 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.78 2j28 n VAL 4 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2j28 n PHE 5 N -2.11 -0.99 0.00 6.34 7.35 -1.26 -4.54 117.46 122.25 2j28 n PHE 5 Ca 0.00 0.15 0.00 0.00 -0.76 0.00 0.00 57.45 56.84 2j28 n PHE 5 Cb 0.00 -0.57 0.00 0.00 0.35 0.00 0.00 39.48 39.26 2j28 n PHE 5 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 2j28 n GLN 6 N 0.51 1.87 0.00 -4.13 0.00 -1.26 -3.99 117.38 110.38 2j28 n GLN 6 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 57.00 57.03 2j28 n GLN 6 Cb 0.16 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.40 2j28 n GLN 6 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 2j28 n SER 7 N 0.00 0.00 0.00 2.61 2.88 -1.26 -4.67 113.62 113.18 2j28 n SER 7 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 2j28 n SER 7 Cb 0.00 0.29 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2j28 n SER 7 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2j28 n GLY 8 N -0.10 0.68 0.56 0.46 0.00 -1.26 -1.29 105.19 104.23 2j28 n GLY 8 Ca 0.00 0.52 0.01 0.00 0.00 0.00 0.00 46.02 46.55 2j28 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j28 n GLY 9 N 0.00 0.77 1.53 -0.02 0.00 -1.26 -5.11 105.19 101.10 2j28 n GLY 9 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2j28 n GLY 9 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2j28 n LYS 10 N -0.04 -4.33 0.00 1.61 3.00 -0.41 -5.07 118.16 112.91 2j28 n LYS 10 Ca 0.01 3.16 0.00 0.00 -0.00 0.00 0.00 58.31 61.48 2j28 n LYS 10 Cb 0.73 -3.50 0.00 0.00 0.00 0.00 0.00 35.03 32.26 2j28 n LYS 10 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.40 178.34 2j28 n GLN 11 N -0.06 0.00 -3.70 1.64 -0.06 -1.26 -5.00 117.38 108.94 2j28 n GLN 11 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 57.00 54.73 2j28 n GLN 11 Cb 0.00 0.00 -0.17 0.00 -4.06 0.00 0.00 30.24 26.01 2j28 n GLN 11 CO 0.00 0.00 0.00 -1.01 -0.20 0.00 0.00 177.06 175.85 2j28 s HIS 12 N 0.00 0.79 0.00 3.69 3.76 -1.26 -4.91 115.29 117.36 2j28 s HIS 12 Ca 0.00 -0.70 0.00 0.00 -0.15 0.00 0.00 55.06 54.21 2j28 s HIS 12 Cb 0.00 -0.93 0.00 0.00 1.11 0.00 0.00 32.58 32.76 2j28 s HIS 12 CO 0.00 -0.58 0.40 0.54 -0.85 0.00 0.00 174.74 174.25 2j28 n ARG 13 N 5.11 0.24 -4.86 1.40 1.74 -1.26 -4.14 116.66 114.90 2j28 n ARG 13 Ca -0.08 -0.48 -0.33 0.00 -0.77 0.00 0.00 57.85 56.19 2j28 n ARG 13 Cb 0.48 -0.70 -0.14 0.00 -1.02 0.00 0.00 32.46 31.08 2j28 n ARG 13 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 2j28 s VAL 14 N -0.16 2.94 0.00 1.55 -7.23 -1.26 -4.68 120.40 111.55 2j28 s VAL 14 Ca 0.00 -0.72 0.00 0.00 -1.81 0.00 0.00 61.98 59.45 2j28 s VAL 14 Cb 0.00 -2.20 0.00 0.00 0.56 0.00 0.00 36.38 34.74 2j28 s VAL 14 CO 0.00 0.55 0.00 -1.20 -0.31 0.00 0.00 175.10 174.14 2j28 n SER 15 N 3.19 0.00 -0.24 4.85 7.64 -1.26 -2.78 113.62 125.02 2j28 n SER 15 Ca -0.18 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.70 2j28 n SER 15 Cb 0.53 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.73 2j28 n SER 15 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2j28 n GLU 16 N 0.00 1.05 -2.90 1.43 1.02 -1.26 -4.76 120.64 115.22 2j28 n GLU 16 Ca 0.00 -0.06 -0.20 0.00 -0.02 0.00 0.00 57.16 56.88 2j28 n GLU 16 Cb 0.00 -1.22 0.06 0.00 -0.02 0.00 0.00 31.44 30.25 2j28 n GLU 16 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2j28 s GLY 17 N -0.59 1.80 0.23 0.62 0.00 -1.26 -4.97 107.32 103.15 2j28 s GLY 17 Ca 0.01 -1.86 0.10 0.00 0.00 0.00 0.00 44.72 42.96 2j28 s GLY 17 CO 0.01 -1.47 -0.06 -0.86 0.00 0.00 0.00 173.10 170.72 2j28 s GLN 18 N -4.70 2.14 -0.18 2.90 1.03 -1.25 -4.20 119.66 115.41 2j28 s GLN 18 Ca 0.61 -1.40 -0.07 0.00 0.04 0.00 0.00 55.36 54.54 2j28 s GLN 18 Cb -0.07 -2.12 0.07 0.00 0.03 0.00 0.00 33.01 30.92 2j28 s GLN 18 CO 0.39 0.39 0.39 0.95 -2.54 0.00 0.00 175.29 174.87 2j28 s THR 19 N -2.11 -0.37 0.55 3.63 -4.23 -0.76 -4.97 115.64 107.38 2j28 s THR 19 Ca 0.29 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 60.76 2j28 s THR 19 Cb -0.07 -0.61 -0.05 0.00 1.34 0.00 0.00 72.50 73.10 2j28 s THR 19 CO 0.18 0.06 1.13 0.68 -0.54 0.00 0.00 174.62 176.13 2j28 s VAL 20 N 2.10 3.12 0.00 2.29 -7.23 -1.19 -4.46 120.40 115.04 2j28 s VAL 20 Ca -0.05 0.69 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 2j28 s VAL 20 Cb -0.11 -3.27 0.00 0.00 0.56 0.00 0.00 36.38 33.56 2j28 s VAL 20 CO -0.12 -0.16 0.00 0.54 -0.31 0.00 0.00 175.10 175.05 2j28 n ARG 21 N -1.36 0.00 0.00 4.82 5.12 0.82 -4.94 116.66 121.12 2j28 n ARG 21 Ca 0.12 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.04 2j28 n ARG 21 Cb 0.51 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.81 2j28 n ARG 21 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2j28 n LEU 22 N 0.00 0.00 0.00 0.55 -0.00 -1.26 -2.11 117.00 114.18 2j28 n LEU 22 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2j28 n LEU 22 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2j28 n LEU 22 CO 0.00 0.00 -0.20 -0.62 -0.00 0.00 0.00 177.39 176.57 2j28 n GLU 23 N 0.00 1.84 -3.77 1.47 -0.58 -1.26 -1.60 120.64 116.73 2j28 n GLU 23 Ca 0.00 0.00 -0.27 0.00 -0.42 0.00 0.00 57.16 56.47 2j28 n GLU 23 Cb 0.00 -0.70 0.05 0.00 -0.57 0.00 0.00 31.44 30.22 2j28 n GLU 23 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2j28 n LYS 24 N -1.04 -6.40 -0.39 3.49 4.76 -1.26 -4.80 118.16 112.53 2j28 n LYS 24 Ca 0.00 0.69 0.35 0.00 -2.87 0.00 0.00 58.31 56.48 2j28 n LYS 24 Cb 0.17 -5.62 0.69 0.00 -1.84 0.00 0.00 35.03 28.44 2j28 n LYS 24 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 2j28 h LEU 25 N -2.29 0.13 -1.75 -0.35 5.85 -2.03 0.34 115.31 115.21 2j28 h LEU 25 Ca -0.58 0.04 0.23 0.00 0.84 0.00 0.00 57.88 58.41 2j28 h LEU 25 Cb 1.37 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 42.39 2j28 h LEU 25 CO 0.62 -0.01 0.77 -2.24 -0.34 0.00 0.00 178.44 177.24 2j28 h ASP 26 N 0.10 0.00 0.00 1.25 2.03 -2.05 -3.42 116.42 114.33 2j28 h ASP 26 Ca 0.65 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.95 2j28 h ASP 26 Cb 2.34 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.84 2j28 h ASP 26 CO -0.13 0.00 0.00 0.00 -1.03 0.00 0.00 179.24 178.08 2j28 n ILE 27 N -3.71 0.00 0.00 4.15 3.06 0.11 -5.11 119.36 117.86 2j28 n ILE 27 Ca 0.17 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.42 2j28 n ILE 27 Cb 1.04 0.00 0.00 0.00 0.54 0.00 0.00 39.64 41.22 2j28 n ILE 27 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 2j28 n ALA 28 N -0.01 2.71 -0.25 1.51 0.00 -1.25 -4.90 120.51 118.32 2j28 n ALA 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2j28 n ALA 28 Cb 0.00 0.11 0.00 0.00 0.00 0.00 0.00 19.45 19.56 2j28 n ALA 28 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j28 n THR 29 N -2.35 0.00 -0.09 0.00 -2.24 -1.26 -4.48 114.28 103.86 2j28 n THR 29 Ca 0.00 0.00 -0.16 0.00 -2.27 0.00 0.00 64.05 61.62 2j28 n THR 29 Cb 0.11 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.25 2j28 n THR 29 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 2j28 h GLY 30 N 0.00 0.00 -1.98 3.38 0.00 -1.89 -3.45 103.07 99.13 2j28 h GLY 30 Ca 0.00 0.00 -0.49 0.00 0.00 0.00 0.00 47.33 46.84 2j28 h GLY 30 CO 0.00 0.00 0.13 -0.54 0.00 0.00 0.00 176.54 176.13 2j28 s GLU 31 N -2.29 3.53 1.35 4.80 2.02 -1.26 -4.68 118.70 122.17 2j28 s GLU 31 Ca -0.23 0.23 -0.23 0.00 0.02 0.00 0.00 54.97 54.76 2j28 s GLU 31 Cb 0.04 -2.36 0.34 0.00 0.10 0.00 0.00 34.13 32.26 2j28 s GLU 31 CO 0.47 -0.23 0.97 0.25 0.02 0.00 0.00 175.26 176.74 2j28 n THR 32 N -2.29 0.00 -3.07 3.63 -2.24 -1.26 -4.94 114.28 104.10 2j28 n THR 32 Ca 0.01 -0.24 0.05 0.00 -2.27 0.00 0.00 64.05 61.60 2j28 n THR 32 Cb 0.55 -1.11 0.00 0.00 -2.10 0.00 0.00 70.33 67.68 2j28 n THR 32 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2j28 s VAL 33 N -2.52 -0.29 -0.92 2.28 0.11 -1.26 -5.01 120.40 112.78 2j28 s VAL 33 Ca 0.69 0.00 -0.08 0.00 -2.93 0.00 0.00 61.98 59.66 2j28 s VAL 33 Cb -0.09 -0.22 -0.01 0.00 -1.53 0.00 0.00 36.38 34.52 2j28 s VAL 33 CO 0.55 0.00 0.72 -0.62 -3.33 0.00 0.00 175.10 172.42 2j28 n GLU 34 N 4.82 -1.39 -3.27 1.54 -0.58 -1.26 -4.92 120.64 115.58 2j28 n GLU 34 Ca 0.09 0.90 -0.40 0.00 -0.42 0.00 0.00 57.16 57.32 2j28 n GLU 34 Cb 0.59 -4.29 -0.08 0.00 -0.57 0.00 0.00 31.44 27.08 2j28 n GLU 34 CO 0.00 0.00 0.00 -0.06 -0.48 0.00 0.00 177.13 176.59 2j28 s PHE 35 N -3.19 3.23 1.01 -0.32 0.08 -1.26 -5.05 117.98 112.49 2j28 s PHE 35 Ca 0.20 0.46 -0.14 0.00 0.12 0.00 0.00 56.93 57.56 2j28 s PHE 35 Cb -0.06 -2.76 0.19 0.00 -0.57 0.00 0.00 43.02 39.82 2j28 s PHE 35 CO 0.83 -0.35 1.13 0.00 -0.10 0.00 0.00 175.22 176.73 2j28 s ALA 36 N 2.29 1.26 0.00 5.36 0.00 -1.26 -4.45 121.76 124.96 2j28 s ALA 36 Ca 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2j28 s ALA 36 Cb -0.16 -3.01 0.00 0.00 0.00 0.00 0.00 23.12 19.96 2j28 s ALA 36 CO 0.11 -2.79 0.00 -1.91 0.00 0.00 0.00 175.76 171.17 2j28 n GLU 37 N -4.13 0.00 -3.86 0.00 4.07 -1.26 -4.67 120.64 110.79 2j28 n GLU 37 Ca 0.08 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 57.07 2j28 n GLU 37 Cb 0.59 0.00 -0.11 0.00 -0.06 0.00 0.00 31.44 31.86 2j28 n GLU 37 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2j28 s VAL 38 N -2.00 0.05 0.20 6.31 -7.23 -1.26 -4.10 120.40 112.37 2j28 s VAL 38 Ca 0.00 -0.45 0.13 0.00 -1.81 0.00 0.00 61.98 59.86 2j28 s VAL 38 Cb 0.00 -0.34 0.02 0.00 0.56 0.00 0.00 36.38 36.63 2j28 s VAL 38 CO 0.00 -0.25 1.62 -0.07 -0.31 0.00 0.00 175.10 176.09 2j28 h LEU 39 N 4.93 0.00 0.00 1.32 3.38 -1.86 -3.03 115.31 120.04 2j28 h LEU 39 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2j28 h LEU 39 Cb 1.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.95 2j28 h LEU 39 CO 0.41 0.55 0.12 0.80 0.09 0.00 0.00 178.44 180.41 2j28 n MET 40 N -3.64 0.00 -2.14 1.13 1.56 -1.26 -4.21 117.12 108.57 2j28 n MET 40 Ca -0.01 0.11 -0.40 0.00 -0.27 0.00 0.00 57.70 57.13 2j28 n MET 40 Cb 0.61 -1.62 -0.02 0.00 2.15 0.00 0.00 33.22 34.35 2j28 n MET 40 CO 0.00 0.00 0.00 -1.50 -0.73 0.00 0.00 175.97 173.74 2j28 s ILE 41 N -1.93 2.78 -1.21 1.12 1.10 -1.15 -4.47 121.20 117.44 2j28 s ILE 41 Ca 0.00 0.75 -0.21 0.00 -0.51 0.00 0.00 60.65 60.69 2j28 s ILE 41 Cb 0.00 -3.47 -0.01 0.00 0.15 0.00 0.00 42.46 39.13 2j28 s ILE 41 CO 0.00 0.16 1.82 0.00 -2.11 0.00 0.00 174.94 174.81 2j28 s ALA 42 N -1.19 2.51 -0.27 1.50 0.00 -1.26 -3.68 121.76 119.37 2j28 s ALA 42 Ca 0.51 -2.45 0.02 0.00 0.00 0.00 0.00 51.96 50.04 2j28 s ALA 42 Cb -0.38 -4.65 0.07 0.00 0.00 0.00 0.00 23.12 18.16 2j28 s ALA 42 CO 0.50 -4.27 -0.05 1.21 0.00 0.00 0.00 175.76 173.15 2j28 s ASN 43 N 5.51 4.25 -1.00 0.00 3.84 -1.26 -4.91 114.94 121.37 2j28 s ASN 43 Ca 0.61 -1.45 -0.01 0.00 0.21 0.00 0.00 52.86 52.22 2j28 s ASN 43 Cb 0.01 -1.39 0.32 0.00 -0.55 0.00 0.00 41.25 39.64 2j28 s ASN 43 CO 0.09 -0.25 1.61 0.61 -2.79 0.00 0.00 177.10 176.37 2j28 n GLY 44 N 4.51 5.74 1.26 1.21 0.00 -1.26 -4.54 105.19 112.11 2j28 n GLY 44 Ca -0.10 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.29 2j28 n GLY 44 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2j28 n GLU 45 N 0.42 0.00 0.00 1.61 2.13 -1.24 -4.94 120.64 118.61 2j28 n GLU 45 Ca 0.38 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.20 2j28 n GLU 45 Cb 0.30 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.01 2j28 n GLU 45 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2j28 n GLU 46 N -2.17 0.00 -0.03 5.31 -0.58 -1.26 -4.62 120.64 117.30 2j28 n GLU 46 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2j28 n GLU 46 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2j28 n GLU 46 CO 0.00 0.00 0.00 1.55 -0.48 0.00 0.00 177.13 178.20 2j28 n VAL 47 N 0.00 0.00 -0.21 2.62 3.14 -1.26 -4.26 118.33 118.36 2j28 n VAL 47 Ca 0.00 0.00 -0.01 0.00 -2.96 0.00 0.00 64.34 61.37 2j28 n VAL 47 Cb 0.00 -1.50 0.06 0.00 -1.06 0.00 0.00 33.84 31.34 2j28 n VAL 47 CO 0.00 0.00 0.00 0.11 -6.46 0.00 0.00 176.83 170.48 2j28 h LYS 48 N 0.00 -0.02 -6.40 1.45 1.57 -2.03 -3.39 116.57 107.75 2j28 h LYS 48 Ca 0.00 0.00 -0.63 0.00 -1.87 0.00 0.00 60.65 58.16 2j28 h LYS 48 Cb 0.00 0.01 0.05 0.00 0.08 0.00 0.00 32.23 32.37 2j28 h LYS 48 CO 0.00 -0.02 0.67 0.44 -0.57 0.00 0.00 179.45 179.97 2j28 n ILE 49 N -5.44 0.02 0.01 1.86 -5.35 -1.26 -4.89 119.36 104.31 2j28 n ILE 49 Ca 0.07 -0.00 -0.06 0.00 -0.27 0.00 0.00 62.75 62.49 2j28 n ILE 49 Cb 0.34 -1.24 -0.04 0.00 -1.74 0.00 0.00 39.64 36.95 2j28 n ILE 49 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 2j28 h GLY 50 N 5.48 -1.34 -3.98 3.28 0.00 -1.82 -3.42 103.07 101.27 2j28 h GLY 50 Ca -0.46 0.65 0.00 0.00 0.00 0.00 0.00 47.33 47.52 2j28 h GLY 50 CO 0.85 -0.43 -0.10 -0.62 0.00 0.00 0.00 176.54 176.24 2j28 n VAL 51 N -3.66 -5.31 -1.25 4.60 0.31 -1.26 -3.69 118.33 108.06 2j28 n VAL 51 Ca -0.03 0.12 -0.37 0.00 -0.01 0.00 0.00 64.34 64.06 2j28 n VAL 51 Cb 0.15 -5.15 0.05 0.00 -0.91 0.00 0.00 33.84 27.98 2j28 n VAL 51 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2j28 n PRO 52 N -0.90 0.22 -1.67 5.55 -0.02 -1.26 -4.14 135.00 132.78 2j28 n PRO 52 Ca 0.02 0.10 -0.61 0.00 -2.02 0.00 0.00 63.50 60.99 2j28 n PRO 52 Cb 0.36 -1.53 -0.09 0.00 -0.02 0.00 0.00 33.50 32.22 2j28 n PRO 52 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2j28 n PHE 53 N -2.12 1.86 -2.97 6.00 0.99 -1.26 -2.98 117.46 116.99 2j28 n PHE 53 Ca 0.08 0.76 -0.06 0.00 -0.00 0.00 0.00 57.45 58.23 2j28 n PHE 53 Cb 0.50 -2.37 0.01 0.00 -1.00 0.00 0.00 39.48 36.61 2j28 n PHE 53 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 2j28 n VAL 54 N 4.70-10.42 0.00 -4.37 0.31 -1.24 -4.94 118.33 102.38 2j28 n VAL 54 Ca 0.31 0.44 0.00 0.00 -0.01 0.00 0.00 64.34 65.08 2j28 n VAL 54 Cb 0.05 -6.98 0.00 0.00 -0.91 0.00 0.00 33.84 26.01 2j28 n VAL 54 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2j28 n ASP 55 N -0.88 0.00 0.00 4.52 2.03 -1.16 -4.98 116.55 116.08 2j28 n ASP 55 Ca 0.06 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.37 2j28 n ASP 55 Cb 0.49 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.89 2j28 n ASP 55 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2j28 n GLY 56 N 3.29 5.34 0.41 0.27 0.00 -1.26 -5.02 105.19 108.22 2j28 n GLY 56 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 2j28 n GLY 56 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2j28 n GLY 57 N 2.57 1.42 3.70 -0.02 0.00 -1.26 -4.66 105.19 106.93 2j28 n GLY 57 Ca 0.00 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 2j28 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j28 s VAL 58 N -2.08 2.53 -0.07 1.61 0.11 -1.26 -3.15 120.40 118.09 2j28 s VAL 58 Ca 0.00 0.16 -0.05 0.00 -2.93 0.00 0.00 61.98 59.16 2j28 s VAL 58 Cb 0.00 -3.10 0.02 0.00 -1.53 0.00 0.00 36.38 31.77 2j28 s VAL 58 CO 0.00 0.00 0.11 -0.38 -3.33 0.00 0.00 175.10 171.50 2j28 n ILE 59 N 4.51-11.89 -2.05 7.04 2.08 -1.26 -4.83 119.36 112.97 2j28 n ILE 59 Ca 0.17 2.63 -0.02 0.00 0.56 0.00 0.00 62.75 66.09 2j28 n ILE 59 Cb 0.38 -5.94 0.00 0.00 -0.75 0.00 0.00 39.64 33.33 2j28 n ILE 59 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 2j28 n LYS 60 N 1.55 -0.73 0.03 0.38 0.00 -1.26 -4.99 118.16 113.15 2j28 n LYS 60 Ca -0.18 1.01 -0.22 0.00 0.00 0.00 0.00 58.31 58.93 2j28 n LYS 60 Cb 0.28 -3.10 -0.14 0.00 0.00 0.00 0.00 35.03 32.07 2j28 n LYS 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2j28 h ALA 61 N 0.50 0.33 0.00 3.14 0.00 -1.73 -3.46 119.26 118.03 2j28 h ALA 61 Ca 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 54.91 53.62 2j28 h ALA 61 Cb 0.65 0.60 0.00 0.00 0.00 0.00 0.00 17.79 19.04 2j28 h ALA 61 CO 0.09 1.20 0.00 -0.85 0.00 0.00 0.00 179.25 179.69 2j28 n GLU 62 N -3.52 -2.31 0.00 0.00 0.28 -1.26 -4.59 120.64 109.25 2j28 n GLU 62 Ca -0.29 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.71 2j28 n GLU 62 Cb 1.06 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.93 2j28 n GLU 62 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2j28 n VAL 63 N 0.85 0.00 -2.95 3.84 3.14 -1.23 -4.09 118.33 117.89 2j28 n VAL 63 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2j28 n VAL 63 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2j28 n VAL 63 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2j28 n VAL 64 N 0.00 0.00 -0.65 1.55 3.14 -1.20 -4.66 118.33 116.51 2j28 n VAL 64 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2j28 n VAL 64 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2j28 n VAL 64 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2j28 n ALA 65 N -3.00 0.00 -3.32 1.55 0.00 -1.26 -3.74 120.51 110.73 2j28 n ALA 65 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 2j28 n ALA 65 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2j28 n ALA 65 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 2j28 s HIS 66 N 2.38 -0.40 0.00 0.00 2.46 -1.26 -4.42 115.29 114.04 2j28 s HIS 66 Ca 0.00 0.71 0.00 0.00 0.47 0.00 0.00 55.06 56.24 2j28 s HIS 66 Cb 0.00 0.24 0.00 0.00 -0.13 0.00 0.00 32.58 32.69 2j28 s HIS 66 CO 0.00 -0.20 0.00 0.41 -2.47 0.00 0.00 174.74 172.48 2j28 n GLY 67 N 4.70 1.14 0.10 1.59 0.00 -1.26 -4.37 105.19 107.10 2j28 n GLY 67 Ca -0.08 -1.44 -0.13 0.00 0.00 0.00 0.00 46.02 44.37 2j28 n GLY 67 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2j28 h ARG 68 N 0.00 0.22 -4.98 1.61 3.08 -1.92 -3.41 114.38 108.97 2j28 h ARG 68 Ca 0.00 -0.09 -0.25 0.00 0.07 0.00 0.00 59.98 59.71 2j28 h ARG 68 Cb 0.00 -0.01 0.15 0.00 0.08 0.00 0.00 29.97 30.19 2j28 h ARG 68 CO 0.00 0.56 -0.65 0.41 -1.07 0.00 0.00 179.97 179.22 2j28 n GLY 69 N -0.01 -0.42 0.00 0.04 0.00 -1.26 -4.75 105.19 98.79 2j28 n GLY 69 Ca -0.06 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2j28 n GLY 69 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2j28 n GLU 70 N -3.32 0.00 -1.03 1.61 1.02 -1.23 -4.66 120.64 113.03 2j28 n GLU 70 Ca -0.17 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.97 2j28 n GLU 70 Cb 0.62 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.04 2j28 n GLU 70 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2j28 n LYS 71 N 0.00 -2.80 -3.73 3.49 4.76 -1.26 -4.31 118.16 114.30 2j28 n LYS 71 Ca 0.00 2.14 -0.30 0.00 -2.87 0.00 0.00 58.31 57.28 2j28 n LYS 71 Cb 0.00 -2.56 -0.15 0.00 -1.84 0.00 0.00 35.03 30.48 2j28 n LYS 71 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2j28 s VAL 72 N -4.12 0.86 0.02 -0.18 0.11 -1.26 -3.42 120.40 112.41 2j28 s VAL 72 Ca 0.00 -1.37 -0.00 0.00 -2.93 0.00 0.00 61.98 57.68 2j28 s VAL 72 Cb 0.00 -1.64 0.00 0.00 -1.53 0.00 0.00 36.38 33.21 2j28 s VAL 72 CO 0.00 -0.66 0.01 0.29 -3.33 0.00 0.00 175.10 171.41 2j28 n LYS 73 N 4.86 -0.76 -3.91 1.54 4.01 -0.34 -4.72 118.16 118.84 2j28 n LYS 73 Ca -0.02 -0.02 -0.11 0.00 -0.51 0.00 0.00 58.31 57.65 2j28 n LYS 73 Cb 0.42 -0.03 -0.13 0.00 -0.51 0.00 0.00 35.03 34.78 2j28 n LYS 73 CO 0.00 0.00 0.00 -1.50 -1.11 0.00 0.00 177.40 174.79 2j28 s ILE 74 N -0.71 0.04 0.00 -0.18 2.07 -1.26 -3.94 121.20 117.22 2j28 s ILE 74 Ca 0.01 -0.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.94 2j28 s ILE 74 Cb -0.00 -0.10 0.00 0.00 0.13 0.00 0.00 42.46 42.49 2j28 s ILE 74 CO 0.01 -0.17 0.00 1.33 -1.91 0.00 0.00 174.94 174.20 2j28 n VAL 75 N 2.58 0.00 0.26 4.00 0.24 -1.18 -5.02 118.33 119.21 2j28 n VAL 75 Ca -0.16 0.00 -0.15 0.00 -2.04 0.00 0.00 64.34 61.99 2j28 n VAL 75 Cb 0.58 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.87 2j28 n VAL 75 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 2j28 h LYS 76 N 0.00 -0.63 -2.69 7.34 1.79 -1.89 -3.35 116.57 117.14 2j28 h LYS 76 Ca 0.00 0.04 0.30 0.00 -2.18 0.00 0.00 60.65 58.81 2j28 h LYS 76 Cb 0.00 0.14 -0.12 0.00 -1.58 0.00 0.00 32.23 30.67 2j28 h LYS 76 CO 0.00 -0.34 -0.73 1.19 -1.08 0.00 0.00 179.45 178.49 2j28 n PHE 77 N -5.30 -3.00 -4.09 -1.35 3.01 -1.26 -2.95 117.46 102.51 2j28 n PHE 77 Ca -0.11 1.58 -0.11 0.00 1.01 0.00 0.00 57.45 59.82 2j28 n PHE 77 Cb 0.30 -2.73 -0.07 0.00 -0.01 0.00 0.00 39.48 36.97 2j28 n PHE 77 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 2j28 s ARG 78 N -3.03 1.42 -0.31 -1.08 1.81 -1.26 -4.12 118.95 112.39 2j28 s ARG 78 Ca 0.00 -1.45 -0.13 0.00 -1.72 0.00 0.00 55.73 52.43 2j28 s ARG 78 Cb 0.00 0.38 0.19 0.00 -0.45 0.00 0.00 34.95 35.07 2j28 s ARG 78 CO 0.00 -0.54 1.11 0.50 -0.68 0.00 0.00 175.30 175.69 2j28 s ARG 79 N -4.02 0.08 -0.49 3.54 3.00 -1.25 -4.97 118.95 114.85 2j28 s ARG 79 Ca 0.30 0.02 0.07 0.00 -1.00 0.00 0.00 55.73 55.12 2j28 s ARG 79 Cb 0.03 0.02 0.25 0.00 0.00 0.00 0.00 34.95 35.24 2j28 s ARG 79 CO 0.11 -0.13 0.60 2.89 0.00 0.00 0.00 175.30 178.77 2j28 n ARG 80 N 4.32 1.40 -1.13 5.12 1.85 -1.26 -4.23 116.66 122.73 2j28 n ARG 80 Ca 0.08 -3.79 -0.37 0.00 -1.00 0.00 0.00 57.85 52.76 2j28 n ARG 80 Cb 0.61 -1.64 0.03 0.00 -1.05 0.00 0.00 32.46 30.41 2j28 n ARG 80 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2j28 n LYS 81 N 1.26 0.02 -0.15 2.89 5.02 -1.26 -4.53 118.16 121.40 2j28 n LYS 81 Ca 0.25 0.01 0.12 0.00 -2.02 0.00 0.00 58.31 56.67 2j28 n LYS 81 Cb 0.48 -1.08 0.20 0.00 -0.02 0.00 0.00 35.03 34.61 2j28 n LYS 81 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2j28 n HIS 82 N -2.07 0.11 -1.06 2.13 -0.00 -1.26 -4.04 115.22 109.04 2j28 n HIS 82 Ca 0.04 0.11 -0.17 0.00 -0.00 0.00 0.00 57.72 57.70 2j28 n HIS 82 Cb 0.51 -0.37 -0.07 0.00 -0.00 0.00 0.00 29.99 30.06 2j28 n HIS 82 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 2j28 n TYR 83 N -2.91 0.30 -3.12 1.57 4.01 -1.26 -4.63 117.16 111.11 2j28 n TYR 83 Ca 0.11 -0.19 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2j28 n TYR 83 Cb 0.47 -1.26 0.00 0.00 -0.31 0.00 0.00 39.34 38.24 2j28 n TYR 83 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94 2j28 n ARG 84 N 6.52 0.00 -4.12 -0.72 3.00 -1.26 -4.71 116.66 115.37 2j28 n ARG 84 Ca 0.27 0.00 -0.10 0.00 -0.01 0.00 0.00 57.85 58.00 2j28 n ARG 84 Cb 0.42 0.00 -0.10 0.00 0.00 0.00 0.00 32.46 32.78 2j28 n ARG 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.63 176.04 2j28 s LYS 85 N 0.00 0.70 0.00 5.56 0.00 -1.26 -4.70 119.74 120.04 2j28 s LYS 85 Ca 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 55.97 54.82 2j28 s LYS 85 Cb 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 37.83 37.70 2j28 s LYS 85 CO 0.00 -0.02 0.00 1.04 0.00 0.00 0.00 175.35 176.37 2j28 n GLN 86 N 0.39 -2.50 0.00 1.78 3.00 -1.26 -5.13 117.38 113.67 2j28 n GLN 86 Ca -0.15 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.84 2j28 n GLN 86 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.83 2j28 n GLN 86 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2j28 n GLN 87 N -0.05 0.00 0.00 -1.09 3.00 -1.26 -4.39 117.38 113.59 2j28 n GLN 87 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2j28 n GLN 87 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 2j28 n GLN 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2j28 n GLY 88 N 0.00 0.02 4.42 1.08 0.00 -1.26 -4.90 105.19 104.55 2j28 n GLY 88 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 46.02 46.13 2j28 n GLY 88 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2j28 n HIS 89 N 0.00 -1.50 -3.65 1.61 1.44 -1.26 -3.77 115.22 108.09 2j28 n HIS 89 Ca 0.00 0.07 -0.04 0.00 -2.01 0.00 0.00 57.72 55.74 2j28 n HIS 89 Cb 0.00 -0.11 -0.07 0.00 0.12 0.00 0.00 29.99 29.93 2j28 n HIS 89 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 2j28 s ARG 90 N -0.42 0.12 -0.01 -1.40 0.52 -1.26 -4.67 118.95 111.83 2j28 s ARG 90 Ca 0.00 0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.35 2j28 s ARG 90 Cb 0.00 0.06 0.01 0.00 0.52 0.00 0.00 34.95 35.54 2j28 s ARG 90 CO 0.00 -0.01 0.02 -1.14 0.02 0.00 0.00 175.30 174.18 2j28 s GLN 91 N 0.06 -0.00 0.00 3.54 2.00 -1.15 -4.95 119.66 119.15 2j28 s GLN 91 Ca 0.07 0.08 0.00 0.00 -2.00 0.00 0.00 55.36 53.50 2j28 s GLN 91 Cb -0.05 -0.08 0.00 0.00 0.80 0.00 0.00 33.01 33.68 2j28 s GLN 91 CO -0.14 -0.06 0.00 -2.67 -0.50 0.00 0.00 175.29 171.92 2j28 n TRP 92 N 3.45 0.00 0.00 1.67 4.27 -1.26 -2.85 117.44 122.72 2j28 n TRP 92 Ca -0.17 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.44 2j28 n TRP 92 Cb 0.57 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 30.52 2j28 n TRP 92 CO 0.00 0.00 0.00 0.34 -2.29 0.00 0.00 177.69 175.74 2j28 n PHE 93 N 0.00 0.00 -3.26 -2.67 7.35 -1.25 -4.71 117.46 112.92 2j28 n PHE 93 Ca 0.00 0.00 -0.38 0.00 -0.76 0.00 0.00 57.45 56.31 2j28 n PHE 93 Cb 0.00 0.00 -0.06 0.00 0.35 0.00 0.00 39.48 39.77 2j28 n PHE 93 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 2j28 s THR 94 N 0.00 4.73 0.33 -2.13 -4.23 -1.26 -1.19 115.64 111.88 2j28 s THR 94 Ca 0.00 1.16 0.06 0.00 -1.18 0.00 0.00 61.69 61.73 2j28 s THR 94 Cb 0.00 -3.87 -0.03 0.00 1.34 0.00 0.00 72.50 69.94 2j28 s THR 94 CO 0.00 0.44 0.24 1.51 -0.54 0.00 0.00 174.62 176.27 2j28 s ASP 95 N -1.31 1.71 -0.03 3.99 -4.77 -1.22 -4.77 116.67 110.26 2j28 s ASP 95 Ca 0.33 -1.71 0.02 0.00 -3.30 0.00 0.00 52.55 47.90 2j28 s ASP 95 Cb -0.18 0.53 0.01 0.00 -1.09 0.00 0.00 42.92 42.18 2j28 s ASP 95 CO 0.20 -1.02 -0.08 0.54 0.70 0.00 0.00 175.17 175.51 2j28 s VAL 96 N -3.48 0.76 0.00 2.11 0.11 -0.63 -3.57 120.40 115.71 2j28 s VAL 96 Ca 0.38 -0.32 0.00 0.00 -2.93 0.00 0.00 61.98 59.11 2j28 s VAL 96 Cb 0.03 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.18 2j28 s VAL 96 CO 0.24 0.25 0.00 0.29 -3.33 0.00 0.00 175.10 172.55 2j28 n LYS 97 N 3.51 0.00 -0.64 1.54 4.76 -1.26 -0.13 118.16 125.94 2j28 n LYS 97 Ca -0.20 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.24 2j28 n LYS 97 Cb 0.53 -0.28 0.00 0.00 -1.84 0.00 0.00 35.03 33.44 2j28 n LYS 97 CO 0.00 0.00 0.00 -0.89 -1.37 0.00 0.00 177.40 175.14 2j28 n ILE 98 N 0.00 -2.65 -0.01 -0.18 2.08 -1.26 -3.18 119.36 114.16 2j28 n ILE 98 Ca 0.00 0.92 -0.01 0.00 0.56 0.00 0.00 62.75 64.22 2j28 n ILE 98 Cb 0.00 -1.80 -0.00 0.00 -0.75 0.00 0.00 39.64 37.09 2j28 n ILE 98 CO 0.00 0.00 0.00 1.07 0.56 0.00 0.00 176.55 178.18 2j28 n THR 99 N -0.22 0.23 0.00 1.39 5.66 -1.26 -1.83 114.28 118.25 2j28 n THR 99 Ca 0.00 0.30 0.00 0.00 -3.05 0.00 0.00 64.05 61.30 2j28 n THR 99 Cb 0.00 -1.43 0.00 0.00 -1.55 0.00 0.00 70.33 67.35 2j28 n THR 99 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2j28 n GLY 100 N 2.27 2.87 3.26 1.09 0.00 -1.26 -3.92 105.19 109.49 2j28 n GLY 100 Ca -0.01 -1.06 -0.21 0.00 0.00 0.00 0.00 46.02 44.73 2j28 n GLY 100 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 2j28 s ILE 101 N 0.00 1.53 -0.43 -0.61 2.07 -1.25 -4.62 121.20 117.91 2j28 s ILE 101 Ca 0.00 -1.58 -0.25 0.00 -1.41 0.00 0.00 60.65 57.41 2j28 s ILE 101 Cb 0.00 -1.49 0.03 0.00 0.13 0.00 0.00 42.46 41.13 2j28 s ILE 101 CO 0.00 -0.20 0.60 -1.20 -1.91 0.00 0.00 174.94 172.23 2j28 n SER 102 N 0.90 -6.95 0.00 4.50 7.64 -1.26 -3.24 113.62 115.22 2j28 n SER 102 Ca -0.18 0.28 0.15 0.00 1.01 0.00 0.00 58.87 60.13 2j28 n SER 102 Cb 0.55 -3.81 0.87 0.00 -1.01 0.00 0.00 64.21 60.81 2j28 n SER 102 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03