#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 s SER 2 N 0.00 2.48 0.23 7.83 1.04 -1.26 -5.01 113.70 119.02 2jo0 s SER 2 Ca 0.00 1.67 0.21 0.00 0.48 0.00 0.00 55.95 58.31 2jo0 s SER 2 Cb 0.00 -2.31 0.04 0.00 0.10 0.00 0.00 66.02 63.85 2jo0 s SER 2 CO 0.00 -3.29 1.13 1.55 0.98 0.00 0.00 173.24 173.62 2jo0 h PRO 3 N -2.00 0.00 -6.94 4.02 0.13 -2.08 -3.48 132.00 121.65 2jo0 h PRO 3 Ca -0.52 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.09 2jo0 h PRO 3 Cb 1.30 0.00 0.07 0.00 0.13 0.00 0.00 31.00 32.50 2jo0 h PRO 3 CO 0.50 0.07 0.58 -0.08 -0.23 0.00 0.00 178.00 178.83 2jo0 s THR 4 N -3.25 2.79 0.31 1.56 -1.32 -1.26 -5.06 115.64 109.41 2jo0 s THR 4 Ca 0.01 0.70 0.03 0.00 -1.21 0.00 0.00 61.69 61.21 2jo0 s THR 4 Cb 0.08 -3.41 -0.01 0.00 -1.51 0.00 0.00 72.50 67.66 2jo0 s THR 4 CO 0.77 0.09 0.34 -1.54 -2.21 0.00 0.00 174.62 172.08 2jo0 n SER 5 N 0.14 -0.92 -0.24 8.08 3.41 -1.26 -5.04 113.62 117.78 2jo0 n SER 5 Ca 0.04 -2.84 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 2jo0 n SER 5 Cb 0.44 1.88 0.22 0.00 -0.26 0.00 0.00 64.21 66.50 2jo0 n SER 5 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 2jo0 h ILE 6 N 1.94 1.20 0.00 -1.33 -0.00 -1.90 -3.10 117.51 114.32 2jo0 h ILE 6 Ca -0.23 -0.37 0.00 0.00 -0.00 0.00 0.00 64.86 64.26 2jo0 h ILE 6 Cb 1.07 0.04 0.00 0.00 -0.00 0.00 0.00 36.82 37.93 2jo0 h ILE 6 CO 0.32 0.20 0.01 0.00 -0.00 0.00 0.00 178.15 178.67 2jo0 n LEU 7 N -4.41 0.00 0.00 0.16 -0.00 -1.26 -1.88 117.00 109.61 2jo0 n LEU 7 Ca 0.09 0.04 0.06 0.00 -0.00 0.00 0.00 56.01 56.19 2jo0 n LEU 7 Cb 0.03 -0.04 0.33 0.00 -0.00 0.00 0.00 43.42 43.74 2jo0 n LEU 7 CO 0.36 -0.04 0.55 0.47 -0.00 0.00 0.00 177.39 178.73 2jo0 n ASP 8 N -0.96 0.00 -4.54 1.45 8.00 -1.17 -4.71 116.55 114.62 2jo0 n ASP 8 Ca 0.00 -0.55 -0.25 0.00 0.71 0.00 0.00 54.79 54.70 2jo0 n ASP 8 Cb 0.01 0.00 -0.11 0.00 -0.02 0.00 0.00 41.12 41.00 2jo0 n ASP 8 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 2jo0 s ILE 9 N -2.00 1.92 -0.20 0.53 -4.36 -0.79 -5.05 121.20 111.25 2jo0 s ILE 9 Ca 0.17 -2.10 0.00 0.00 -0.26 0.00 0.00 60.65 58.46 2jo0 s ILE 9 Cb 0.08 -2.75 0.00 0.00 1.25 0.00 0.00 42.46 41.04 2jo0 s ILE 9 CO 0.13 -0.13 0.00 -2.11 0.24 0.00 0.00 174.94 173.08 2jo0 n ARG 10 N -0.80 0.00 0.00 0.37 -4.01 -1.26 -4.88 116.66 106.07 2jo0 n ARG 10 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 2jo0 n ARG 10 Cb 0.65 -1.23 0.00 0.00 -3.04 0.00 0.00 32.46 28.84 2jo0 n ARG 10 CO 0.00 0.00 0.00 0.94 -3.04 0.00 0.00 177.63 175.53 2jo0 n GLN 11 N 0.79 0.00 0.00 2.89 7.27 -1.26 -4.69 117.38 122.39 2jo0 n GLN 11 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 2jo0 n GLN 11 Cb 0.00 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.65 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2jo0 n GLY 12 N 0.00 -0.98 0.34 1.69 0.00 -1.26 -5.06 105.19 99.92 2jo0 n GLY 12 Ca 0.00 0.25 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.79 0.00 1.61 0.13 -1.88 -3.46 132.00 127.61 2jo0 h PRO 13 Ca 0.00 0.05 0.00 0.00 -0.87 0.00 0.00 66.00 65.18 2jo0 h PRO 13 Cb 0.00 0.18 0.00 0.00 0.13 0.00 0.00 31.00 31.31 2jo0 h PRO 13 CO 0.00 -0.48 0.00 1.63 -0.23 0.00 0.00 178.00 178.92 2jo0 n LYS 14 N -5.38 0.00 0.00 0.86 5.02 -1.26 -3.87 118.16 113.54 2jo0 n LYS 14 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2jo0 n LYS 14 Cb 0.35 -1.62 0.00 0.00 -0.02 0.00 0.00 35.03 33.74 2jo0 n LYS 14 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2jo0 n GLU 15 N -0.07 0.00 -1.83 1.97 2.13 -1.26 -4.74 120.64 116.85 2jo0 n GLU 15 Ca 0.00 0.00 -0.21 0.00 0.66 0.00 0.00 57.16 57.61 2jo0 n GLU 15 Cb 0.00 -0.02 -0.08 0.00 0.27 0.00 0.00 31.44 31.61 2jo0 n GLU 15 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 2jo0 s PRO 16 N -1.96 1.89 0.00 5.31 0.04 -1.25 -4.58 135.00 134.46 2jo0 s PRO 16 Ca 0.00 -0.52 -0.03 0.00 0.04 0.00 0.00 61.00 60.49 2jo0 s PRO 16 Cb 0.00 -5.05 -0.02 0.00 0.04 0.00 0.00 34.50 29.47 2jo0 s PRO 16 CO 0.00 -4.52 0.96 0.74 0.04 0.00 0.00 177.00 174.22 2jo0 h PHE 17 N 11.09 -0.09 -0.34 0.56 -1.00 -1.92 -3.32 116.94 121.92 2jo0 h PHE 17 Ca 0.09 -0.00 -0.10 0.00 2.81 0.00 0.00 57.97 60.77 2jo0 h PHE 17 Cb 0.98 0.03 -0.02 0.00 3.61 0.00 0.00 35.95 40.55 2jo0 h PHE 17 CO 1.13 -0.06 -0.20 0.07 -1.61 0.00 0.00 178.31 177.65 2jo0 h ARG 18 N -0.10 0.63 0.00 1.51 -0.00 -1.95 0.95 114.38 115.42 2jo0 h ARG 18 Ca -0.01 -0.23 0.00 0.00 -0.00 0.00 0.00 59.98 59.74 2jo0 h ARG 18 Cb 0.08 -0.04 0.00 0.00 -0.00 0.00 0.00 29.97 30.00 2jo0 h ARG 18 CO 0.02 0.79 0.00 -0.25 -0.00 0.00 0.00 179.97 180.53 2jo0 n ASP 19 N -4.13 0.00 0.00 0.08 8.00 -1.26 -1.96 116.55 117.28 2jo0 n ASP 19 Ca 0.00 -0.38 0.00 0.00 0.71 0.00 0.00 54.79 55.12 2jo0 n ASP 19 Cb 0.40 -0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.48 2jo0 n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2jo0 n TYR 20 N -1.02 0.00 -0.21 1.24 4.19 -1.04 -4.83 117.16 115.49 2jo0 n TYR 20 Ca 0.10 0.00 -0.01 0.00 3.31 0.00 0.00 57.90 61.29 2jo0 n TYR 20 Cb 0.05 0.00 0.10 0.00 0.49 0.00 0.00 39.34 39.97 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 0.87 -0.45 2.97 3.04 -0.15 0.24 116.25 122.77 2jo0 h VAL 21 Ca 0.00 -0.18 0.02 0.00 -1.01 0.00 0.00 66.70 65.53 2jo0 h VAL 21 Cb 0.61 0.30 -0.03 0.00 -2.01 0.00 0.00 31.29 30.16 2jo0 h VAL 21 CO 0.00 0.10 0.26 0.44 -1.01 0.00 0.00 177.57 177.36 2jo0 h ASP 22 N 0.53 0.41 1.42 3.17 3.32 -1.80 -0.60 116.42 122.87 2jo0 h ASP 22 Ca 0.29 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2jo0 h ASP 22 Cb 0.27 -0.08 0.00 0.00 0.22 0.00 0.00 39.33 39.74 2jo0 h ASP 22 CO -0.23 0.29 -0.11 0.03 -1.72 0.00 0.00 179.24 177.50 2jo0 h ARG 23 N 0.52 0.00 0.00 3.56 2.47 -1.47 -2.16 114.38 117.30 2jo0 h ARG 23 Ca 0.18 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.89 2jo0 h ARG 23 Cb 0.03 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2jo0 h ARG 23 CO -0.09 0.00 -0.19 0.35 0.56 0.00 0.00 179.97 180.60 2jo0 h PHE 24 N 0.00 0.00 -0.41 3.04 3.57 -0.53 -3.40 116.94 119.21 2jo0 h PHE 24 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 2jo0 h PHE 24 Cb 0.76 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2jo0 h PHE 24 CO 0.00 0.11 0.31 1.88 -2.23 0.00 0.00 178.31 178.38 2jo0 h TYR 25 N -1.00 0.00 -1.06 0.41 -1.99 -0.98 -1.64 116.97 110.71 2jo0 h TYR 25 Ca -0.01 0.00 0.31 0.00 2.00 0.00 0.00 58.73 61.03 2jo0 h TYR 25 Cb 0.25 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.94 2jo0 h TYR 25 CO -0.04 0.00 0.84 1.57 -0.00 0.00 0.00 178.16 180.53 2jo0 h LYS 26 N 0.00 0.00 0.00 4.88 5.09 -1.61 -2.87 116.57 122.06 2jo0 h LYS 26 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.93 2jo0 h LYS 26 Cb 0.82 0.00 0.00 0.00 0.10 0.00 0.00 32.23 33.15 2jo0 h LYS 26 CO -0.00 0.00 -0.91 2.41 -2.09 0.00 0.00 179.45 178.86 2jo0 n THR 27 N -3.98 0.00 -0.34 0.07 -1.04 -0.68 -4.73 114.28 103.58 2jo0 n THR 27 Ca 0.23 0.00 0.22 0.00 -2.04 0.00 0.00 64.05 62.46 2jo0 n THR 27 Cb 1.19 -0.87 0.46 0.00 -1.82 0.00 0.00 70.33 69.29 2jo0 n THR 27 CO 0.00 0.00 0.00 0.25 -0.64 0.00 0.00 175.07 174.68 2jo0 h LEU 28 N 0.00 0.56 0.00 -4.42 7.12 -1.30 0.10 115.31 117.37 2jo0 h LEU 28 Ca 0.00 0.16 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2jo0 h LEU 28 Cb 0.91 0.08 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 2jo0 h LEU 28 CO 0.00 -0.02 0.00 -2.11 -0.13 0.00 0.00 178.44 176.18 2jo0 n ARG 29 N -4.92 0.00 0.00 1.25 -4.01 -1.09 -0.66 116.66 107.23 2jo0 n ARG 29 Ca 0.30 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.11 2jo0 n ARG 29 Cb 0.91 -1.30 0.00 0.00 -3.04 0.00 0.00 32.46 29.02 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 -0.59 0.89 -0.10 2.89 0.00 0.36 -4.10 120.51 119.86 2jo0 n ALA 30 Ca 0.00 -0.12 -0.20 0.00 0.00 0.00 0.00 53.44 53.12 2jo0 n ALA 30 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2jo0 n ALA 30 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2jo0 n GLU 31 N -0.13 0.44 0.05 0.00 1.02 0.17 -4.57 120.64 117.62 2jo0 n GLU 31 Ca 0.00 0.17 0.11 0.00 -0.02 0.00 0.00 57.16 57.42 2jo0 n GLU 31 Cb 0.10 -1.26 0.01 0.00 -0.02 0.00 0.00 31.44 30.27 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 2jo0 n GLN 32 N -3.69 0.45 -0.94 3.49 1.13 -0.09 -4.98 117.38 112.75 2jo0 n GLN 32 Ca -0.38 0.03 -0.06 0.00 -1.94 0.00 0.00 57.00 54.65 2jo0 n GLN 32 Cb 0.80 -1.68 -0.02 0.00 0.11 0.00 0.00 30.24 29.45 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jo0 n ALA 33 N -2.01 -0.09 -3.69 -1.58 0.00 -1.16 -4.92 120.51 107.07 2jo0 n ALA 33 Ca 0.01 0.09 -0.20 0.00 0.00 0.00 0.00 53.44 53.33 2jo0 n ALA 33 Cb 0.49 -0.97 -0.17 0.00 0.00 0.00 0.00 19.45 18.80 2jo0 n ALA 33 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 2jo0 s SER 34 N -1.48 1.05 0.00 0.00 0.01 -1.26 -4.90 113.70 107.12 2jo0 s SER 34 Ca 0.00 -0.09 0.28 0.00 1.31 0.00 0.00 55.95 57.45 2jo0 s SER 34 Cb 0.00 -0.40 1.12 0.00 0.21 0.00 0.00 66.02 66.95 2jo0 s SER 34 CO 0.00 -0.11 1.80 1.67 0.41 0.00 0.00 173.24 177.01 2jo0 n GLN 35 N 4.43 0.70 -2.45 12.44 7.27 -1.26 -4.73 117.38 133.78 2jo0 n GLN 35 Ca -0.19 -0.28 -0.36 0.00 0.07 0.00 0.00 57.00 56.24 2jo0 n GLN 35 Cb 0.50 -1.49 -0.03 0.00 2.41 0.00 0.00 30.24 31.63 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2jo0 s GLU 36 N -2.49 3.90 0.39 3.69 2.12 -1.26 -4.87 118.70 120.17 2jo0 s GLU 36 Ca 0.27 1.55 0.13 0.00 0.36 0.00 0.00 54.97 57.29 2jo0 s GLU 36 Cb 0.20 -2.35 0.72 0.00 0.26 0.00 0.00 34.13 32.96 2jo0 s GLU 36 CO 0.49 -0.38 1.30 0.28 -0.54 0.00 0.00 175.26 176.41 2jo0 h VAL 37 N 1.87 0.00 0.00 3.70 2.07 -1.97 -1.70 116.25 120.22 2jo0 h VAL 37 Ca -0.49 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.03 2jo0 h VAL 37 Cb 1.23 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.29 2jo0 h VAL 37 CO 0.60 0.00 0.00 2.29 0.02 0.00 0.00 177.57 180.48 2jo0 n LYS 38 N -2.15 0.62 -1.45 1.57 2.85 -1.26 -4.58 118.16 113.77 2jo0 n LYS 38 Ca -0.01 0.00 -0.48 0.00 -1.05 0.00 0.00 58.31 56.77 2jo0 n LYS 38 Cb 0.41 -1.30 -0.08 0.00 -0.65 0.00 0.00 35.03 33.41 2jo0 n LYS 38 CO 0.00 0.00 0.00 0.27 -0.05 0.00 0.00 177.40 177.62 2jo0 n ASN 39 N -0.80 1.69 -0.89 -5.58 6.94 -0.64 -4.90 115.26 111.08 2jo0 n ASN 39 Ca 0.09 0.27 0.00 0.00 -0.02 0.00 0.00 54.58 54.92 2jo0 n ASN 39 Cb 0.04 -1.21 0.00 0.00 -2.36 0.00 0.00 39.78 36.25 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 10.56 0.00 -0.67 -2.53 0.00 -1.26 -4.93 120.51 121.68 2jo0 n ALA 40 Ca 0.46 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.90 2jo0 n ALA 40 Cb 0.21 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.66 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 -1.00 -1.50 0.00 2.81 -1.26 -4.82 117.12 111.36 2jo0 n MET 41 Ca 0.00 0.22 0.00 0.00 -1.81 0.00 0.00 57.70 56.11 2jo0 n MET 41 Cb 0.00 -4.45 0.00 0.00 -0.71 0.00 0.00 33.22 28.06 2jo0 n MET 41 CO 0.00 0.00 0.00 0.25 1.51 0.00 0.00 175.97 177.73 2jo0 n THR 42 N -1.75 0.00 0.34 2.03 -2.24 -1.26 -5.00 114.28 106.40 2jo0 n THR 42 Ca 0.00 0.00 0.22 0.00 -2.27 0.00 0.00 64.05 62.00 2jo0 n THR 42 Cb 0.22 0.00 1.15 0.00 -2.10 0.00 0.00 70.33 69.61 2jo0 n THR 42 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2jo0 h GLU 43 N 0.00 0.00 -1.74 -0.78 -0.00 -2.02 -3.47 114.58 106.57 2jo0 h GLU 43 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 59.36 59.13 2jo0 h GLU 43 Cb 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 28.74 2jo0 h GLU 43 CO 0.00 0.00 0.33 -2.37 -0.00 0.00 0.00 179.01 176.97 2jo0 n THR 44 N -3.04 0.00 -1.86 -1.06 5.66 -1.26 -4.94 114.28 107.78 2jo0 n THR 44 Ca -0.03 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.01 2jo0 n THR 44 Cb 0.12 -0.15 0.05 0.00 -1.55 0.00 0.00 70.33 68.81 2jo0 n THR 44 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2jo0 n LEU 45 N 1.88 0.95 -3.83 1.09 -0.00 -1.26 -4.91 117.00 110.92 2jo0 n LEU 45 Ca 0.14 -1.91 0.04 0.00 -0.00 0.00 0.00 56.01 54.28 2jo0 n LEU 45 Cb -0.01 -0.14 0.01 0.00 -0.00 0.00 0.00 43.42 43.27 2jo0 n LEU 45 CO 0.26 0.50 1.20 -1.48 -0.00 0.00 0.00 177.39 177.87 2jo0 s LEU 46 N -0.92 -0.00 -0.04 1.47 -0.00 -1.26 -4.95 118.68 112.98 2jo0 s LEU 46 Ca 0.17 -0.02 -0.01 0.00 -0.00 0.00 0.00 54.13 54.27 2jo0 s LEU 46 Cb 0.17 1.04 0.03 0.00 -0.00 0.00 0.00 46.19 47.43 2jo0 s LEU 46 CO -0.03 -0.03 0.08 -0.69 -0.00 0.00 0.00 176.35 175.68 2jo0 s VAL 47 N -2.02 -0.07 0.23 1.48 1.01 -1.26 -5.04 120.40 114.73 2jo0 s VAL 47 Ca 0.25 0.22 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 2jo0 s VAL 47 Cb 0.03 -0.15 0.19 0.00 0.00 0.00 0.00 36.38 36.45 2jo0 s VAL 47 CO -0.04 0.09 1.73 1.56 0.00 0.00 0.00 175.10 178.44 2jo0 h GLN 48 N 7.39 0.41 0.00 2.72 4.20 -1.90 -1.43 115.11 126.51 2jo0 h GLN 48 Ca -0.41 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2jo0 h GLN 48 Cb 1.13 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.81 2jo0 h GLN 48 CO 0.42 0.27 0.00 -1.71 -0.67 0.00 0.00 178.83 177.15 2jo0 n ASN 49 N -5.01 0.00 -4.74 1.46 5.15 -1.26 -4.80 115.26 106.06 2jo0 n ASN 49 Ca 0.12 0.20 -0.38 0.00 -0.60 0.00 0.00 54.58 53.92 2jo0 n ASN 49 Cb 0.35 -0.22 0.05 0.00 -0.53 0.00 0.00 39.78 39.44 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 s ALA 50 N -2.43 2.65 0.46 5.20 0.00 -0.54 -4.77 121.76 122.33 2jo0 s ALA 50 Ca 0.01 1.28 0.07 0.00 0.00 0.00 0.00 51.96 53.32 2jo0 s ALA 50 Cb 0.01 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.58 2jo0 s ALA 50 CO 0.02 -1.44 0.43 0.54 0.00 0.00 0.00 175.76 175.30 2jo0 s ASN 51 N -1.14 4.96 0.37 0.00 4.22 -1.26 -4.93 114.94 117.16 2jo0 s ASN 51 Ca 0.76 -0.87 0.07 0.00 -2.14 0.00 0.00 52.86 50.67 2jo0 s ASN 51 Cb -0.39 -0.24 0.72 0.00 1.28 0.00 0.00 41.25 42.62 2jo0 s ASN 51 CO 0.44 -0.84 1.92 1.55 -2.04 0.00 0.00 177.10 178.13 2jo0 h PRO 52 N 0.86 0.42 0.27 3.55 0.13 -1.96 -2.30 132.00 132.97 2jo0 h PRO 52 Ca -0.39 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 64.65 2jo0 h PRO 52 Cb 1.28 -0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jo0 h PRO 52 CO 0.55 0.45 -0.13 -0.44 -0.23 0.00 0.00 178.00 178.21 2jo0 h ASP 53 N 0.41 -0.30 -0.30 1.44 5.19 -1.98 -1.01 116.42 119.86 2jo0 h ASP 53 Ca 0.09 -0.18 0.07 0.00 -0.62 0.00 0.00 57.03 56.40 2jo0 h ASP 53 Cb 0.28 0.08 -0.07 0.00 0.18 0.00 0.00 39.33 39.79 2jo0 h ASP 53 CO 0.01 0.02 -0.21 0.00 -3.12 0.00 0.00 179.24 175.94 2jo0 h LYS 55 N -0.18 -0.07 0.00 0.00 6.56 -1.39 -0.63 116.57 120.86 2jo0 h LYS 55 Ca 0.16 0.01 -0.01 0.00 -1.06 0.00 0.00 60.65 59.74 2jo0 h LYS 55 Cb 0.42 0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.10 2jo0 h LYS 55 CO -0.41 -0.05 -0.06 1.15 -2.06 0.00 0.00 179.45 178.02 2jo0 h THR 56 N -0.08 0.33 0.00 -0.16 2.02 -0.57 -2.83 112.91 111.63 2jo0 h THR 56 Ca 0.14 -0.38 0.00 0.00 0.77 0.00 0.00 66.41 66.94 2jo0 h THR 56 Cb 0.29 1.28 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 2jo0 h THR 56 CO -0.33 0.06 -0.05 0.40 0.37 0.00 0.00 175.52 175.97 2jo0 h ILE 57 N 0.00 0.00 0.00 3.11 2.04 0.49 -3.36 117.51 119.79 2jo0 h ILE 57 Ca -0.00 -0.65 -0.01 0.00 1.00 0.00 0.00 64.86 65.20 2jo0 h ILE 57 Cb 0.27 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.35 2jo0 h ILE 57 CO 0.01 0.00 -0.04 -0.07 0.00 0.00 0.00 178.15 178.05 2jo0 h LEU 58 N -0.65 0.00 -1.42 1.44 4.07 -1.27 0.09 115.31 117.57 2jo0 h LEU 58 Ca 0.00 0.00 0.19 0.00 0.08 0.00 0.00 57.88 58.15 2jo0 h LEU 58 Cb 0.05 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.77 2jo0 h LEU 58 CO 0.00 0.04 0.84 0.11 -1.08 0.00 0.00 178.44 178.34 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.65 -1.12 116.57 116.72 2jo0 h LYS 59 Ca -0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2jo0 h LYS 59 Cb 0.20 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.85 2jo0 h LYS 59 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.37 2jo0 n ALA 60 N -2.20 1.62 -2.27 3.86 0.00 -0.05 -4.92 120.51 116.56 2jo0 n ALA 60 Ca 0.14 -0.50 -0.10 0.00 0.00 0.00 0.00 53.44 52.97 2jo0 n ALA 60 Cb 1.05 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.56 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 -0.12 3.25 -3.31 0.00 7.94 -0.43 -4.90 117.00 119.43 2jo0 n LEU 61 Ca 0.00 -3.86 -0.36 0.00 -1.11 0.00 0.00 56.01 50.68 2jo0 n LEU 61 Cb 0.18 -0.07 0.00 0.00 0.53 0.00 0.00 43.42 44.06 2jo0 n LEU 61 CO 0.00 1.54 1.02 0.61 -1.11 0.00 0.00 177.39 179.45 2jo0 n GLY 62 N -0.62 5.93 1.89 -3.96 0.00 -1.19 -4.31 105.19 102.93 2jo0 n GLY 62 Ca 0.26 -2.64 -0.05 0.00 0.00 0.00 0.00 46.02 43.59 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 -0.18 1.21 -0.67 1.61 -0.04 -1.26 -4.77 135.00 130.90 2jo0 n PRO 63 Ca 0.43 -0.43 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2jo0 n PRO 63 Cb 0.31 -1.55 0.00 0.00 -0.04 0.00 0.00 33.50 32.23 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 2.17 0.00 0.09 0.55 0.00 -1.26 -4.48 120.51 117.58 2jo0 n ALA 64 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2jo0 n ALA 64 Cb 0.57 -1.15 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.98 3.00 0.33 0.00 0.00 -1.26 -4.92 120.51 118.63 2jo0 n ALA 65 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2jo0 n ALA 65 Cb 0.20 0.10 0.76 0.00 0.00 0.00 0.00 19.45 20.51 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 0.01 -0.76 0.00 2.02 -1.87 -1.98 112.91 110.35 2jo0 h THR 66 Ca 0.00 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.33 2jo0 h THR 66 Cb 0.08 0.62 -0.10 0.00 -1.74 0.00 0.00 68.15 67.01 2jo0 h THR 66 CO 0.00 0.00 0.27 0.25 0.37 0.00 0.00 175.52 176.41 2jo0 h LEU 67 N 0.00 0.21 -0.98 2.58 6.46 -1.92 -2.63 115.31 119.03 2jo0 h LEU 67 Ca 0.01 0.12 0.32 0.00 -0.12 0.00 0.00 57.88 58.21 2jo0 h LEU 67 Cb 0.78 0.12 -0.15 0.00 -0.73 0.00 0.00 40.66 40.68 2jo0 h LEU 67 CO -0.00 0.06 0.49 -0.33 -0.62 0.00 0.00 178.44 178.04 2jo0 h GLU 68 N 0.39 0.25 -0.09 1.25 5.08 -1.75 0.36 114.58 120.08 2jo0 h GLU 68 Ca 0.42 -0.02 -0.20 0.00 -1.00 0.00 0.00 59.36 58.57 2jo0 h GLU 68 Cb 0.68 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.88 2jo0 h GLU 68 CO -0.44 0.17 -0.73 1.05 -1.00 0.00 0.00 179.01 178.06 2jo0 h GLU 69 N 0.26 0.65 0.00 2.33 -0.00 -1.72 -3.36 114.58 112.74 2jo0 h GLU 69 Ca 0.71 -0.58 -0.06 0.00 -0.00 0.00 0.00 59.36 59.43 2jo0 h GLU 69 Cb 1.62 0.14 -0.01 0.00 -0.00 0.00 0.00 28.75 30.50 2jo0 h GLU 69 CO -0.64 1.19 -0.30 0.52 -0.00 0.00 0.00 179.01 179.78 2jo0 h MET 70 N 0.30 0.00 -0.13 1.06 2.86 -0.22 0.30 114.93 119.10 2jo0 h MET 70 Ca -0.07 0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.62 2jo0 h MET 70 Cb 1.38 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.99 2jo0 h MET 70 CO 0.15 0.30 -0.20 1.98 1.06 0.00 0.00 176.91 180.20 2jo0 h MET 71 N 0.00 -0.24 -0.17 1.72 1.85 -1.02 -2.84 114.93 114.22 2jo0 h MET 71 Ca -0.00 0.02 -0.22 0.00 -0.61 0.00 0.00 59.70 58.89 2jo0 h MET 71 Cb 0.57 0.06 0.01 0.00 0.43 0.00 0.00 31.60 32.66 2jo0 h MET 71 CO 0.04 -0.16 -0.74 1.15 -0.40 0.00 0.00 176.91 176.79 2jo0 h THR 72 N -0.25 1.28 -0.39 -0.77 2.02 -1.49 -3.33 112.91 109.98 2jo0 h THR 72 Ca 0.10 -1.94 0.07 0.00 0.77 0.00 0.00 66.41 65.41 2jo0 h THR 72 Cb 0.40 1.93 -0.02 0.00 -1.74 0.00 0.00 68.15 68.72 2jo0 h THR 72 CO -0.27 0.62 0.27 0.00 0.37 0.00 0.00 175.52 176.50 2jo0 h ALA 73 N 0.59 2.09 -0.39 6.16 0.00 -0.75 -1.55 119.26 125.40 2jo0 h ALA 73 Ca -0.04 -0.01 0.11 0.00 0.00 0.00 0.00 54.91 54.97 2jo0 h ALA 73 Cb 1.37 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2jo0 h ALA 73 CO 0.15 -0.18 0.67 0.00 0.00 0.00 0.00 179.25 179.90 2jo0 n GLN 75 N -3.23 0.05 0.00 0.00 -0.00 -0.58 -4.04 117.38 109.58 2jo0 n GLN 75 Ca 0.08 0.32 0.00 0.00 -0.00 0.00 0.00 57.00 57.40 2jo0 n GLN 75 Cb 0.82 -1.60 0.00 0.00 -0.00 0.00 0.00 30.24 29.47 2jo0 n GLN 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jo0 n GLY 76 N -0.17 0.68 0.41 2.61 0.00 -0.96 -4.88 105.19 102.88 2jo0 n GLY 76 Ca 0.03 0.00 0.25 0.00 0.00 0.00 0.00 46.02 46.30 2jo0 n GLY 76 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 2jo0 h VAL 77 N 0.28 0.42 0.00 1.61 3.04 -1.22 -0.13 116.25 120.26 2jo0 h VAL 77 Ca 0.00 -0.12 -0.01 0.00 -1.01 0.00 0.00 66.70 65.56 2jo0 h VAL 77 Cb 0.14 0.05 -0.02 0.00 -2.01 0.00 0.00 31.29 29.45 2jo0 h VAL 77 CO 0.00 0.06 -0.26 0.61 -1.01 0.00 0.00 177.57 176.98 2jo0 n GLY 78 N -1.45 4.20 0.19 3.17 0.00 -1.26 -4.94 105.19 105.10 2jo0 n GLY 78 Ca 0.28 -1.03 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 2jo0 n GLY 78 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2jo0 h GLY 79 N 0.33 0.51 -5.95 -0.02 0.00 -1.35 -3.00 103.07 93.60 2jo0 h GLY 79 Ca -0.01 0.05 -0.60 0.00 0.00 0.00 0.00 47.33 46.77 2jo0 h GLY 79 CO 0.01 -0.12 2.73 -1.55 0.00 0.00 0.00 176.54 177.60 2jo0 n PRO 80 N -5.21 2.18 -0.62 4.80 -0.04 -1.26 -4.85 135.00 130.00 2jo0 n PRO 80 Ca 0.05 -1.95 -0.13 0.00 -0.04 0.00 0.00 63.50 61.44 2jo0 n PRO 80 Cb 0.26 -2.86 -0.06 0.00 -0.04 0.00 0.00 33.50 30.79 2jo0 n PRO 80 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2jo0 n GLY 81 N 4.14 2.50 0.43 0.55 0.00 -1.13 -4.78 105.19 106.88 2jo0 n GLY 81 Ca 0.52 -0.73 0.37 0.00 0.00 0.00 0.00 46.02 46.17 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 3.34 0.68 0.30 1.61 1.44 -1.26 -0.91 115.22 120.42 2jo0 n HIS 82 Ca 0.32 0.68 0.16 0.00 -2.01 0.00 0.00 57.72 56.87 2jo0 n HIS 82 Cb 0.35 -1.11 0.94 0.00 0.12 0.00 0.00 29.99 30.29 2jo0 n HIS 82 CO 0.00 0.00 0.00 -0.22 -2.81 0.00 0.00 176.34 173.31 2jo0 h LYS 83 N 0.00 0.00 -1.51 -1.40 3.64 -2.00 -3.47 116.57 111.83 2jo0 h LYS 83 Ca 0.81 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.19 2jo0 h LYS 83 Cb 2.58 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.40 2jo0 h LYS 83 CO -0.45 0.02 0.00 0.00 -2.27 0.00 0.00 179.45 176.75 2jo0 n ALA 84 N -2.27 -1.65 -2.32 5.00 0.00 -0.09 -5.09 120.51 114.09 2jo0 n ALA 84 Ca -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2jo0 n ALA 84 Cb 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.54 2jo0 n ALA 84 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2jo0 n ARG 85 N 0.68 0.17 -0.26 0.00 0.63 -1.26 -4.82 116.66 111.81 2jo0 n ARG 85 Ca 0.00 -1.63 0.00 0.00 -0.92 0.00 0.00 57.85 55.30 2jo0 n ARG 85 Cb 0.00 0.13 0.00 0.00 0.45 0.00 0.00 32.46 33.04 2jo0 n ARG 85 CO 0.00 0.00 0.00 1.55 -2.51 0.00 0.00 177.63 176.67 2jo0 n VAL 86 N 0.13 0.00 0.00 5.15 3.14 -1.26 -5.13 118.33 120.36 2jo0 n VAL 86 Ca -0.09 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.29 2jo0 n VAL 86 Cb 0.93 0.66 0.00 0.00 -1.06 0.00 0.00 33.84 34.37 2jo0 n VAL 86 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26