#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 n SER 2 N 0.00 -0.71 -2.70 6.12 7.64 -1.26 -5.06 113.62 117.65 2jo0 n SER 2 Ca 0.00 0.29 -0.07 0.00 1.01 0.00 0.00 58.87 60.10 2jo0 n SER 2 Cb 0.00 -1.35 0.06 0.00 -1.01 0.00 0.00 64.21 61.91 2jo0 n SER 2 CO 0.00 0.00 0.00 -0.81 -3.01 0.00 0.00 175.04 171.22 2jo0 n PRO 3 N -3.56 -1.25 -3.89 1.43 -0.04 -1.26 -5.12 135.00 121.31 2jo0 n PRO 3 Ca 0.09 -0.46 -0.11 0.00 -0.04 0.00 0.00 63.50 62.98 2jo0 n PRO 3 Cb 0.53 -0.39 -0.10 0.00 -0.04 0.00 0.00 33.50 33.49 2jo0 n PRO 3 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 2jo0 s THR 4 N -1.56 0.08 1.16 0.52 -4.23 -1.26 -5.13 115.64 105.23 2jo0 s THR 4 Ca 0.18 -0.66 -0.18 0.00 -1.18 0.00 0.00 61.69 59.86 2jo0 s THR 4 Cb -0.01 -0.37 0.20 0.00 1.34 0.00 0.00 72.50 73.65 2jo0 s THR 4 CO 0.14 -0.36 0.36 -1.20 -0.54 0.00 0.00 174.62 173.02 2jo0 n SER 5 N 1.66 -2.72 -0.03 3.99 7.64 -1.26 -4.92 113.62 117.99 2jo0 n SER 5 Ca -0.22 -0.32 -0.02 0.00 1.01 0.00 0.00 58.87 59.32 2jo0 n SER 5 Cb 0.56 -0.96 -0.05 0.00 -1.01 0.00 0.00 64.21 62.74 2jo0 n SER 5 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2jo0 n ILE 6 N -4.75 0.38 0.08 0.44 -6.64 -1.26 -4.85 119.36 102.76 2jo0 n ILE 6 Ca 0.04 -0.26 0.01 0.00 -1.77 0.00 0.00 62.75 60.77 2jo0 n ILE 6 Cb 0.54 -0.65 0.04 0.00 -1.44 0.00 0.00 39.64 38.13 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jo0 n LEU 7 N -2.17 0.04 -0.11 7.28 -0.00 -1.26 -1.39 117.00 119.39 2jo0 n LEU 7 Ca -0.09 0.19 -0.08 0.00 -0.00 0.00 0.00 56.01 56.03 2jo0 n LEU 7 Cb 0.63 -0.10 -0.01 0.00 -0.00 0.00 0.00 43.42 43.95 2jo0 n LEU 7 CO 0.14 -0.21 1.02 -0.78 -0.00 0.00 0.00 177.39 177.56 2jo0 h ASP 8 N 0.00 0.42 -2.70 1.45 1.82 -2.03 -3.43 116.42 111.95 2jo0 h ASP 8 Ca 0.00 -0.02 -0.53 0.00 -0.39 0.00 0.00 57.03 56.09 2jo0 h ASP 8 Cb 1.06 -0.11 0.02 0.00 0.68 0.00 0.00 39.33 40.98 2jo0 h ASP 8 CO 0.00 0.31 0.99 0.27 -1.61 0.00 0.00 179.24 179.20 2jo0 s ILE 9 N -6.14 3.13 0.00 2.25 -4.36 -0.48 -4.46 121.20 111.14 2jo0 s ILE 9 Ca -0.13 0.55 0.00 0.00 -0.26 0.00 0.00 60.65 60.81 2jo0 s ILE 9 Cb 0.10 -3.35 0.00 0.00 1.25 0.00 0.00 42.46 40.46 2jo0 s ILE 9 CO 0.72 -0.01 0.00 -2.11 0.24 0.00 0.00 174.94 173.78 2jo0 n ARG 10 N 5.69 0.00 -1.20 0.37 -4.01 -1.26 -4.62 116.66 111.63 2jo0 n ARG 10 Ca 0.16 0.00 -0.39 0.00 -1.04 0.00 0.00 57.85 56.57 2jo0 n ARG 10 Cb 0.41 0.00 -0.12 0.00 -3.04 0.00 0.00 32.46 29.71 2jo0 n ARG 10 CO 0.00 0.00 0.00 1.04 -3.04 0.00 0.00 177.63 175.63 2jo0 n GLN 11 N 0.00 0.00 0.00 2.89 6.02 -1.26 -4.68 117.38 120.35 2jo0 n GLN 11 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2jo0 n GLN 11 Cb 0.00 -1.26 0.00 0.00 1.02 0.00 0.00 30.24 30.00 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2jo0 n GLY 12 N 5.72 -1.79 0.27 1.08 0.00 -1.26 -5.02 105.19 104.18 2jo0 n GLY 12 Ca 0.53 0.78 0.17 0.00 0.00 0.00 0.00 46.02 47.49 2jo0 n GLY 12 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jo0 h PRO 13 N 0.00 0.00 0.00 1.61 0.13 -1.90 -3.42 132.00 128.42 2jo0 h PRO 13 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jo0 h PRO 13 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jo0 h PRO 13 CO 0.00 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.40 2jo0 n LYS 14 N -3.06 0.00 -0.16 0.86 5.02 -1.26 -1.01 118.16 118.54 2jo0 n LYS 14 Ca 0.01 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.22 2jo0 n LYS 14 Cb 0.33 -0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.34 2jo0 n LYS 14 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2jo0 h GLU 15 N 0.00 0.69 -1.97 1.97 5.08 -1.79 -3.21 114.58 115.34 2jo0 h GLU 15 Ca 0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2jo0 h GLU 15 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2jo0 h GLU 15 CO 0.00 0.61 0.00 -0.35 -1.00 0.00 0.00 179.01 178.27 2jo0 n PRO 16 N -4.60 0.98 -0.32 2.33 -0.04 -0.89 -4.69 135.00 127.78 2jo0 n PRO 16 Ca 0.01 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2jo0 n PRO 16 Cb 0.14 -1.01 0.22 0.00 -0.04 0.00 0.00 33.50 32.82 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2jo0 h PHE 17 N 1.02 0.92 -0.32 0.54 3.57 -1.21 0.76 116.94 122.21 2jo0 h PHE 17 Ca 0.00 0.03 -0.17 0.00 3.53 0.00 0.00 57.97 61.37 2jo0 h PHE 17 Cb 0.98 -0.27 -0.00 0.00 2.79 0.00 0.00 35.95 39.45 2jo0 h PHE 17 CO 0.23 0.30 -0.46 0.07 -2.23 0.00 0.00 178.31 176.21 2jo0 h ARG 18 N 0.77 0.85 0.00 1.11 -0.00 -1.87 0.11 114.38 115.35 2jo0 h ARG 18 Ca 0.47 -0.49 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2jo0 h ARG 18 Cb 0.57 0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.57 2jo0 h ARG 18 CO -0.31 1.12 0.00 -3.47 -0.00 0.00 0.00 179.97 177.31 2jo0 n ASP 19 N -4.03 0.00 -0.00 0.08 2.03 0.11 -2.85 116.55 111.89 2jo0 n ASP 19 Ca -0.03 -0.63 -0.00 0.00 0.52 0.00 0.00 54.79 54.65 2jo0 n ASP 19 Cb 0.58 -0.08 -0.00 0.00 -0.72 0.00 0.00 41.12 40.90 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jo0 n TYR 20 N -1.08 0.00 -0.25 -0.67 4.19 -0.30 -4.68 117.16 114.37 2jo0 n TYR 20 Ca 0.18 0.00 -0.06 0.00 3.31 0.00 0.00 57.90 61.33 2jo0 n TYR 20 Cb 0.12 -0.01 0.05 0.00 0.49 0.00 0.00 39.34 39.99 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.91 0.00 0.00 176.86 177.53 2jo0 h VAL 21 N -0.00 1.21 -0.07 2.97 3.04 -0.97 -1.00 116.25 121.42 2jo0 h VAL 21 Ca -0.01 -0.48 -0.01 0.00 -1.01 0.00 0.00 66.70 65.19 2jo0 h VAL 21 Cb 1.01 0.26 -0.00 0.00 -2.01 0.00 0.00 31.29 30.55 2jo0 h VAL 21 CO -0.00 0.22 0.00 0.44 -1.01 0.00 0.00 177.57 177.22 2jo0 h ASP 22 N 0.95 0.11 -0.59 3.17 5.19 -1.77 0.25 116.42 123.73 2jo0 h ASP 22 Ca 0.25 -0.29 0.10 0.00 -0.62 0.00 0.00 57.03 56.47 2jo0 h ASP 22 Cb -0.00 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 39.40 2jo0 h ASP 22 CO -0.04 0.38 0.16 0.03 -3.12 0.00 0.00 179.24 176.64 2jo0 h ARG 23 N -0.16 0.29 0.21 3.56 2.47 -1.79 -1.92 114.38 117.04 2jo0 h ARG 23 Ca 0.02 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2jo0 h ARG 23 Cb 0.32 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.57 2jo0 h ARG 23 CO 0.00 0.19 -0.10 0.35 0.56 0.00 0.00 179.97 180.98 2jo0 h PHE 24 N 0.30 -0.26 -0.14 3.04 3.04 -1.04 -3.31 116.94 118.57 2jo0 h PHE 24 Ca 0.31 -0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.29 2jo0 h PHE 24 Cb 0.43 0.09 -0.01 0.00 2.56 0.00 0.00 35.95 39.02 2jo0 h PHE 24 CO -0.22 -0.16 0.12 1.88 -2.02 0.00 0.00 178.31 177.91 2jo0 h TYR 25 N -1.07 0.00 -0.70 0.41 -1.99 -0.96 0.20 116.97 112.85 2jo0 h TYR 25 Ca -0.03 0.00 0.13 0.00 2.00 0.00 0.00 58.73 60.83 2jo0 h TYR 25 Cb 0.22 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.90 2jo0 h TYR 25 CO 0.00 0.00 0.47 -0.22 -0.00 0.00 0.00 178.16 178.41 2jo0 h LYS 26 N 0.00 0.39 0.00 4.88 3.11 -1.46 -1.96 116.57 121.53 2jo0 h LYS 26 Ca 0.06 -0.02 -0.34 0.00 -2.81 0.00 0.00 60.65 57.54 2jo0 h LYS 26 Cb 0.31 -0.09 -0.06 0.00 -1.00 0.00 0.00 32.23 31.39 2jo0 h LYS 26 CO -0.00 0.26 -2.26 0.25 -2.81 0.00 0.00 179.45 174.89 2jo0 n THR 27 N -4.47 1.27 -0.29 1.00 -2.24 0.43 -4.49 114.28 105.49 2jo0 n THR 27 Ca 0.13 -0.47 0.11 0.00 -2.27 0.00 0.00 64.05 61.55 2jo0 n THR 27 Cb 0.48 -1.33 0.27 0.00 -2.10 0.00 0.00 70.33 67.66 2jo0 n THR 27 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 2jo0 h LEU 28 N -0.07 0.19 -0.25 3.22 6.46 -0.85 0.11 115.31 124.12 2jo0 h LEU 28 Ca -0.50 0.16 0.00 0.00 -0.12 0.00 0.00 57.88 57.42 2jo0 h LEU 28 Cb 1.74 0.17 0.00 0.00 -0.73 0.00 0.00 40.66 41.85 2jo0 h LEU 28 CO -0.10 -0.04 0.00 -2.11 -0.62 0.00 0.00 178.44 175.57 2jo0 n ARG 29 N -5.11 0.27 -0.01 1.25 -4.01 -0.74 -0.80 116.66 107.52 2jo0 n ARG 29 Ca 0.20 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.01 2jo0 n ARG 29 Cb 0.61 -1.03 0.00 0.00 -3.04 0.00 0.00 32.46 29.00 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 n ALA 30 N -0.28 1.15 0.10 2.89 0.00 0.37 -4.76 120.51 119.98 2jo0 n ALA 30 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2jo0 n ALA 30 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2jo0 n ALA 30 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2jo0 n GLU 31 N -0.07 0.00 0.03 0.00 4.07 -0.62 -4.88 120.64 119.17 2jo0 n GLU 31 Ca 0.00 0.00 0.05 0.00 -0.06 0.00 0.00 57.16 57.15 2jo0 n GLU 31 Cb 0.48 -0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.77 2jo0 n GLU 31 CO 0.00 0.00 0.00 0.94 -0.06 0.00 0.00 177.13 178.01 2jo0 n GLN 32 N -3.19 0.63 0.00 5.31 -0.06 -0.04 -4.99 117.38 115.04 2jo0 n GLN 32 Ca 0.00 0.08 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2jo0 n GLN 32 Cb 0.00 -1.72 0.00 0.00 -4.06 0.00 0.00 30.24 24.46 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2jo0 n ALA 33 N -2.34 0.00 -0.26 1.69 0.00 0.02 -4.83 120.51 114.78 2jo0 n ALA 33 Ca -0.08 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.37 2jo0 n ALA 33 Cb 0.73 -0.07 0.05 0.00 0.00 0.00 0.00 19.45 20.16 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jo0 n SER 34 N 0.00 -0.39 -3.59 0.00 2.88 -1.26 -4.83 113.62 106.44 2jo0 n SER 34 Ca 0.00 1.21 -0.20 0.00 -1.33 0.00 0.00 58.87 58.55 2jo0 n SER 34 Cb 0.00 -0.31 -0.06 0.00 -0.75 0.00 0.00 64.21 63.09 2jo0 n SER 34 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2jo0 n GLN 35 N -5.06 -0.94 -4.09 -1.46 -0.06 -1.26 -4.94 117.38 99.56 2jo0 n GLN 35 Ca 0.08 0.06 -0.08 0.00 -2.00 0.00 0.00 57.00 55.06 2jo0 n GLN 35 Cb 0.30 -2.30 -0.10 0.00 -4.06 0.00 0.00 30.24 24.08 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 -0.20 0.00 0.00 177.06 174.86 2jo0 s GLU 36 N -5.58 0.79 0.57 3.69 2.12 -1.26 -5.05 118.70 113.98 2jo0 s GLU 36 Ca 0.07 -1.28 0.43 0.00 0.36 0.00 0.00 54.97 54.55 2jo0 s GLU 36 Cb -0.04 0.24 1.49 0.00 0.26 0.00 0.00 34.13 36.09 2jo0 s GLU 36 CO 0.62 -0.20 1.50 0.28 -0.54 0.00 0.00 175.26 176.92 2jo0 h VAL 37 N 2.97 0.01 0.00 3.70 2.07 -2.02 -1.76 116.25 121.23 2jo0 h VAL 37 Ca -0.34 0.00 -0.08 0.00 0.82 0.00 0.00 66.70 67.10 2jo0 h VAL 37 Cb 1.17 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 2jo0 h VAL 37 CO 0.61 0.00 -0.38 0.11 0.02 0.00 0.00 177.57 177.94 2jo0 h LYS 38 N 0.00 0.00 0.00 1.57 1.79 -1.96 -3.46 116.57 114.51 2jo0 h LYS 38 Ca 0.80 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.27 2jo0 h LYS 38 Cb 3.50 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 34.15 2jo0 h LYS 38 CO -0.01 0.38 0.00 0.27 -1.08 0.00 0.00 179.45 179.01 2jo0 n ASN 39 N -3.46 0.00 -2.09 0.86 6.94 -0.66 -4.72 115.26 112.13 2jo0 n ASN 39 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 2jo0 n ASN 39 Cb 0.54 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.96 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jo0 n ALA 40 N 0.00 0.00 -1.26 -2.53 0.00 -1.26 -4.67 120.51 110.79 2jo0 n ALA 40 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2jo0 n ALA 40 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2jo0 n ALA 40 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2jo0 n MET 41 N 0.00 -1.74 -4.03 0.00 2.81 -1.26 -4.85 117.12 108.04 2jo0 n MET 41 Ca 0.00 0.81 -0.13 0.00 -1.81 0.00 0.00 57.70 56.57 2jo0 n MET 41 Cb 0.00 -5.25 -0.03 0.00 -0.71 0.00 0.00 33.22 27.23 2jo0 n MET 41 CO 0.00 0.00 0.00 0.95 1.51 0.00 0.00 175.97 178.43 2jo0 s THR 42 N -1.77 0.00 -0.76 2.03 -4.23 -1.26 -5.03 115.64 104.62 2jo0 s THR 42 Ca 0.00 -1.49 0.00 0.00 -1.18 0.00 0.00 61.69 59.02 2jo0 s THR 42 Cb 0.00 -2.63 0.00 0.00 1.34 0.00 0.00 72.50 71.21 2jo0 s THR 42 CO 0.00 0.00 0.85 -1.84 -0.54 0.00 0.00 174.62 173.09 2jo0 n GLU 43 N -0.54 0.00 -1.55 3.99 0.28 -1.26 -4.75 120.64 116.82 2jo0 n GLU 43 Ca -0.01 0.35 -0.30 0.00 -0.16 0.00 0.00 57.16 57.04 2jo0 n GLU 43 Cb 0.61 -1.63 -0.06 0.00 1.43 0.00 0.00 31.44 31.80 2jo0 n GLU 43 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 2jo0 n THR 44 N -1.35 -0.06 -0.67 3.84 -1.04 -1.26 -4.82 114.28 108.92 2jo0 n THR 44 Ca 0.00 -0.66 0.06 0.00 -2.04 0.00 0.00 64.05 61.42 2jo0 n THR 44 Cb 0.13 -2.34 0.12 0.00 -1.82 0.00 0.00 70.33 66.41 2jo0 n THR 44 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 n LEU 45 N 15.89 2.50 -3.71 -4.42 -0.00 -1.26 -4.26 117.00 121.74 2jo0 n LEU 45 Ca 0.43 -2.67 0.02 0.00 -0.00 0.00 0.00 56.01 53.79 2jo0 n LEU 45 Cb 0.46 -0.30 0.00 0.00 -0.00 0.00 0.00 43.42 43.58 2jo0 n LEU 45 CO 0.70 0.64 1.10 -1.48 -0.00 0.00 0.00 177.39 178.35 2jo0 s LEU 46 N -2.16 -0.03 -0.13 1.47 2.34 -1.26 -4.89 118.68 114.02 2jo0 s LEU 46 Ca 0.23 -0.13 -0.08 0.00 0.06 0.00 0.00 54.13 54.20 2jo0 s LEU 46 Cb 0.19 1.31 0.04 0.00 -0.56 0.00 0.00 46.19 47.17 2jo0 s LEU 46 CO 0.04 -0.25 0.31 -0.69 -1.06 0.00 0.00 176.35 174.70 2jo0 s VAL 47 N -2.25 -0.02 0.36 1.48 1.01 -1.25 -5.03 120.40 114.70 2jo0 s VAL 47 Ca 0.18 0.08 0.19 0.00 0.00 0.00 0.00 61.98 62.43 2jo0 s VAL 47 Cb 0.04 -0.46 0.34 0.00 0.00 0.00 0.00 36.38 36.30 2jo0 s VAL 47 CO -0.03 0.03 1.61 1.56 0.00 0.00 0.00 175.10 178.27 2jo0 h GLN 48 N 6.60 0.13 -0.36 2.72 4.20 -1.93 -2.19 115.11 124.29 2jo0 h GLN 48 Ca -0.34 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2jo0 h GLN 48 Cb 1.18 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2jo0 h GLN 48 CO 0.33 0.08 0.00 -1.71 -0.67 0.00 0.00 178.83 176.87 2jo0 n ASN 49 N -5.17 0.36 -4.70 1.46 5.15 -1.26 -4.88 115.26 106.23 2jo0 n ASN 49 Ca 0.36 -1.43 -0.44 0.00 -0.60 0.00 0.00 54.58 52.47 2jo0 n ASN 49 Cb 1.17 -0.18 -0.03 0.00 -0.53 0.00 0.00 39.78 40.21 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 n ALA 50 N -0.18 2.03 -3.10 5.20 0.00 -0.82 -4.75 120.51 118.90 2jo0 n ALA 50 Ca 0.00 0.42 -0.09 0.00 0.00 0.00 0.00 53.44 53.77 2jo0 n ALA 50 Cb 0.09 -2.42 0.02 0.00 0.00 0.00 0.00 19.45 17.14 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2jo0 n ASN 51 N 3.44 0.86 -0.16 0.00 6.94 -1.26 -4.99 115.26 120.09 2jo0 n ASN 51 Ca 0.15 -1.56 -0.07 0.00 -0.02 0.00 0.00 54.58 53.08 2jo0 n ASN 51 Cb 0.32 -0.13 0.08 0.00 -2.36 0.00 0.00 39.78 37.68 2jo0 n ASN 51 CO 0.00 0.00 0.00 1.55 -1.03 0.00 0.00 177.26 177.78 2jo0 h PRO 52 N 0.00 0.94 0.54 -0.53 0.13 -1.93 -3.33 132.00 127.81 2jo0 h PRO 52 Ca -0.10 -0.30 -0.03 0.00 -0.87 0.00 0.00 66.00 64.70 2jo0 h PRO 52 Cb 0.44 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.49 2jo0 h PRO 52 CO 0.14 0.96 -0.26 0.22 -0.23 0.00 0.00 178.00 178.83 2jo0 h ASP 53 N 0.86 -0.61 -0.22 1.44 3.58 -1.92 -2.75 116.42 116.81 2jo0 h ASP 53 Ca 0.15 0.02 0.05 0.00 0.42 0.00 0.00 57.03 57.67 2jo0 h ASP 53 Cb 0.57 0.16 -0.07 0.00 1.72 0.00 0.00 39.33 41.70 2jo0 h ASP 53 CO 0.03 -0.43 -0.40 0.00 -2.88 0.00 0.00 179.24 175.57 2jo0 h LYS 55 N -0.42 0.38 -0.04 0.00 6.56 -1.66 0.11 116.57 121.50 2jo0 h LYS 55 Ca 0.10 -0.02 0.01 0.00 -1.06 0.00 0.00 60.65 59.68 2jo0 h LYS 55 Cb 0.60 -0.09 -0.00 0.00 -0.57 0.00 0.00 32.23 32.17 2jo0 h LYS 55 CO -0.44 0.25 0.04 1.15 -2.06 0.00 0.00 179.45 178.39 2jo0 h THR 56 N 0.39 0.60 0.00 -0.16 2.02 -1.03 -2.87 112.91 111.87 2jo0 h THR 56 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 2jo0 h THR 56 Cb 0.28 0.97 0.00 0.00 -1.74 0.00 0.00 68.15 67.65 2jo0 h THR 56 CO -0.25 0.00 -0.61 -0.38 0.37 0.00 0.00 175.52 174.65 2jo0 n ILE 57 N -3.97 1.14 0.34 3.11 5.41 0.17 -4.40 119.36 121.17 2jo0 n ILE 57 Ca -0.02 0.25 0.21 0.00 1.00 0.00 0.00 62.75 64.19 2jo0 n ILE 57 Cb 0.13 -2.18 1.13 0.00 -0.71 0.00 0.00 39.64 38.01 2jo0 n ILE 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 2jo0 h LEU 58 N -0.78 0.00 -1.04 1.39 4.07 -1.12 -0.07 115.31 117.76 2jo0 h LEU 58 Ca 0.00 0.00 0.39 0.00 0.08 0.00 0.00 57.88 58.35 2jo0 h LEU 58 Cb 0.61 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.21 2jo0 h LEU 58 CO 0.00 0.00 0.63 0.29 -1.08 0.00 0.00 178.44 178.28 2jo0 n LYS 59 N -3.08 -0.04 -0.00 1.13 4.76 -1.08 -1.35 118.16 118.49 2jo0 n LYS 59 Ca -0.03 1.15 0.01 0.00 -2.87 0.00 0.00 58.31 56.58 2jo0 n LYS 59 Cb 0.14 -2.16 -0.02 0.00 -1.84 0.00 0.00 35.03 31.14 2jo0 n LYS 59 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jo0 n ALA 60 N -2.45 2.10 -1.82 7.82 0.00 -0.17 -3.92 120.51 122.08 2jo0 n ALA 60 Ca 0.34 -0.09 -0.40 0.00 0.00 0.00 0.00 53.44 53.29 2jo0 n ALA 60 Cb 1.25 -0.08 -0.01 0.00 0.00 0.00 0.00 19.45 20.61 2jo0 n ALA 60 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2jo0 n LEU 61 N -1.65 7.98 -2.51 0.00 7.94 -0.44 -4.55 117.00 123.78 2jo0 n LEU 61 Ca -0.01 -4.65 -0.29 0.00 -1.11 0.00 0.00 56.01 49.95 2jo0 n LEU 61 Cb 0.13 -1.46 0.01 0.00 0.53 0.00 0.00 43.42 42.63 2jo0 n LEU 61 CO 0.07 1.90 0.49 0.61 -1.11 0.00 0.00 177.39 179.34 2jo0 n GLY 62 N 2.60 5.96 1.86 -3.96 0.00 -1.24 -4.25 105.19 106.16 2jo0 n GLY 62 Ca 0.63 -2.69 -0.05 0.00 0.00 0.00 0.00 46.02 43.92 2jo0 n GLY 62 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 63 N -0.53 1.15 0.00 1.61 -0.04 -1.26 -4.79 135.00 131.14 2jo0 n PRO 63 Ca 0.43 -0.38 0.00 0.00 -0.04 0.00 0.00 63.50 63.51 2jo0 n PRO 63 Cb 0.61 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2jo0 n PRO 63 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2jo0 n ALA 64 N 2.11 0.00 0.00 0.55 0.00 -1.26 -4.33 120.51 117.57 2jo0 n ALA 64 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2jo0 n ALA 64 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 19.45 19.94 2jo0 n ALA 64 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n ALA 65 N 0.61 2.73 0.32 0.00 0.00 -1.26 -4.76 120.51 118.15 2jo0 n ALA 65 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 2jo0 n ALA 65 Cb 0.00 0.29 1.14 0.00 0.00 0.00 0.00 19.45 20.88 2jo0 n ALA 65 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2jo0 h THR 66 N 0.00 0.00 -0.76 0.00 2.02 -1.90 -1.75 112.91 110.51 2jo0 h THR 66 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 2jo0 h THR 66 Cb 0.58 0.93 -0.10 0.00 -1.74 0.00 0.00 68.15 67.82 2jo0 h THR 66 CO 0.00 0.00 0.28 0.25 0.37 0.00 0.00 175.52 176.42 2jo0 h LEU 67 N 0.00 0.21 -1.00 2.58 6.46 -1.86 -2.78 115.31 118.92 2jo0 h LEU 67 Ca 0.00 0.12 0.35 0.00 -0.12 0.00 0.00 57.88 58.23 2jo0 h LEU 67 Cb 0.05 0.12 -0.16 0.00 -0.73 0.00 0.00 40.66 39.94 2jo0 h LEU 67 CO 0.00 0.05 0.56 -0.33 -0.62 0.00 0.00 178.44 178.10 2jo0 h GLU 68 N 0.39 0.24 0.17 1.25 4.39 -1.65 0.50 114.58 119.87 2jo0 h GLU 68 Ca 0.43 -0.01 -0.23 0.00 0.34 0.00 0.00 59.36 59.89 2jo0 h GLU 68 Cb 0.70 -0.05 0.03 0.00 -0.10 0.00 0.00 28.75 29.32 2jo0 h GLU 68 CO -0.45 0.16 -1.00 1.05 -1.16 0.00 0.00 179.01 177.61 2jo0 h GLU 69 N 0.25 0.38 0.00 2.33 4.11 -1.72 -3.38 114.58 116.54 2jo0 h GLU 69 Ca 0.76 -0.63 -0.03 0.00 0.07 0.00 0.00 59.36 59.53 2jo0 h GLU 69 Cb 1.82 0.23 -0.00 0.00 0.50 0.00 0.00 28.75 31.30 2jo0 h GLU 69 CO -0.65 1.30 -0.13 0.52 0.07 0.00 0.00 179.01 180.13 2jo0 h MET 70 N -0.21 0.00 -1.04 1.06 2.86 0.07 0.14 114.93 117.81 2jo0 h MET 70 Ca -0.17 0.00 0.42 0.00 -2.06 0.00 0.00 59.70 57.89 2jo0 h MET 70 Cb 1.78 0.00 -0.17 0.00 0.06 0.00 0.00 31.60 33.27 2jo0 h MET 70 CO 0.19 0.13 0.58 1.98 1.06 0.00 0.00 176.91 180.84 2jo0 h MET 71 N 0.00 0.02 0.00 1.72 -1.53 -0.84 -3.28 114.93 111.02 2jo0 h MET 71 Ca -0.00 -0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 2jo0 h MET 71 Cb 0.33 -0.01 0.00 0.00 -0.55 0.00 0.00 31.60 31.37 2jo0 h MET 71 CO 0.02 0.01 -0.09 2.41 0.14 0.00 0.00 176.91 179.40 2jo0 n THR 72 N -5.19 0.00 -0.03 -0.77 -1.04 -0.94 -3.94 114.28 102.37 2jo0 n THR 72 Ca 0.38 -0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.51 2jo0 n THR 72 Cb 1.30 0.05 0.54 0.00 -1.82 0.00 0.00 70.33 70.39 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 h ALA 73 N 0.00 2.05 0.00 2.41 0.00 -0.80 0.14 119.26 123.06 2jo0 h ALA 73 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2jo0 h ALA 73 Cb 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2jo0 h ALA 73 CO 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 179.25 179.09 2jo0 h GLN 75 N 0.00 0.00 -0.82 0.00 -0.00 -1.25 -3.17 115.11 109.87 2jo0 h GLN 75 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.65 58.55 2jo0 h GLN 75 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 27.48 27.42 2jo0 h GLN 75 CO 0.00 0.13 0.12 0.41 -0.00 0.00 0.00 178.83 179.50 2jo0 n GLY 76 N -0.87 2.77 2.77 0.06 0.00 -1.03 -4.80 105.19 104.09 2jo0 n GLY 76 Ca -0.02 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.20 2jo0 n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jo0 s VAL 77 N -2.08 -0.28 -0.17 1.61 0.11 -1.20 -5.14 120.40 113.26 2jo0 s VAL 77 Ca 0.34 0.03 -0.22 0.00 -2.93 0.00 0.00 61.98 59.21 2jo0 s VAL 77 Cb 0.27 -0.54 0.06 0.00 -1.53 0.00 0.00 36.38 34.64 2jo0 s VAL 77 CO 0.09 -0.10 0.58 -0.83 -3.33 0.00 0.00 175.10 171.51 2jo0 s GLY 78 N 2.29 -0.44 0.00 6.54 0.00 -1.26 -4.89 107.32 109.56 2jo0 s GLY 78 Ca 0.05 1.45 0.00 0.00 0.00 0.00 0.00 44.72 46.22 2jo0 s GLY 78 CO -0.10 1.20 0.00 0.61 0.00 0.00 0.00 173.10 174.82 2jo0 n GLY 79 N 2.24 -1.58 3.78 0.20 0.00 -1.26 -5.15 105.19 103.43 2jo0 n GLY 79 Ca -0.16 -1.17 -0.32 0.00 0.00 0.00 0.00 46.02 44.37 2jo0 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jo0 s PRO 80 N -1.70 2.82 0.19 1.61 0.04 -1.26 -5.08 135.00 131.62 2jo0 s PRO 80 Ca 0.00 1.28 -0.15 0.00 0.04 0.00 0.00 61.00 62.17 2jo0 s PRO 80 Cb 0.00 -1.96 0.06 0.00 0.04 0.00 0.00 34.50 32.64 2jo0 s PRO 80 CO 0.00 -1.22 0.76 0.41 0.04 0.00 0.00 177.00 176.99 2jo0 n GLY 81 N -0.84 0.88 2.69 0.56 0.00 -1.26 -5.20 105.19 102.02 2jo0 n GLY 81 Ca 0.10 -1.13 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2jo0 n HIS 82 N -0.53 -0.42 -4.25 1.61 1.44 -1.26 -5.19 115.22 106.62 2jo0 n HIS 82 Ca -0.03 -2.27 -0.14 0.00 -2.01 0.00 0.00 57.72 53.26 2jo0 n HIS 82 Cb 0.46 0.16 -0.10 0.00 0.12 0.00 0.00 29.99 30.63 2jo0 n HIS 82 CO 0.00 0.00 0.00 -1.59 -2.81 0.00 0.00 176.34 171.94 2jo0 s LYS 83 N -3.17 1.08 0.00 -1.40 0.00 -1.26 -5.18 119.74 109.81 2jo0 s LYS 83 Ca 0.28 -1.48 0.00 0.00 0.00 0.00 0.00 55.97 54.77 2jo0 s LYS 83 Cb 0.01 -0.54 0.00 0.00 0.00 0.00 0.00 37.83 37.30 2jo0 s LYS 83 CO 0.20 0.02 0.00 0.00 0.00 0.00 0.00 175.35 175.57 2jo0 n ALA 84 N -0.22 0.00 -2.18 0.59 0.00 -1.26 -5.06 120.51 112.39 2jo0 n ALA 84 Ca -0.09 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.36 2jo0 n ALA 84 Cb 0.61 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.07 2jo0 n ALA 84 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jo0 n ARG 85 N -0.98 0.00 0.00 0.00 1.74 -1.26 -4.84 116.66 111.32 2jo0 n ARG 85 Ca 0.00 -1.31 0.00 0.00 -0.77 0.00 0.00 57.85 55.77 2jo0 n ARG 85 Cb 0.00 -0.27 0.00 0.00 -1.02 0.00 0.00 32.46 31.17 2jo0 n ARG 85 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 2jo0 n VAL 86 N 0.18 0.00 -1.87 1.55 0.24 -1.26 -5.42 118.33 111.75 2jo0 n VAL 86 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 2jo0 n VAL 86 Cb 0.85 0.94 0.00 0.00 -1.47 0.00 0.00 33.84 34.17 2jo0 n VAL 86 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58