#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 -1.12 -1.84 3.17 2.88 -1.26 -4.92 113.62 110.53 2jo0 n SER 2 Ca 0.00 0.27 -0.05 0.00 -1.33 0.00 0.00 58.87 57.76 2jo0 n SER 2 Cb 0.00 1.34 -0.08 0.00 -0.75 0.00 0.00 64.21 64.73 2jo0 n SER 2 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 2jo0 n PRO 3 N -2.71 1.32 0.00 -1.46 -0.04 -1.26 -4.85 135.00 125.99 2jo0 n PRO 3 Ca 0.00 -0.46 0.00 0.00 -0.04 0.00 0.00 63.50 63.00 2jo0 n PRO 3 Cb 0.00 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 31.93 2jo0 n PRO 3 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jo0 n THR 4 N 2.10 0.00 -4.18 0.52 -2.24 -1.26 -5.14 114.28 104.08 2jo0 n THR 4 Ca 0.20 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.87 2jo0 n THR 4 Cb 0.62 0.00 -0.04 0.00 -2.10 0.00 0.00 70.33 68.81 2jo0 n THR 4 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 2jo0 n SER 5 N -0.09 0.20 0.16 3.42 7.64 -1.26 -0.68 113.62 123.00 2jo0 n SER 5 Ca 0.00 -2.09 -0.07 0.00 1.01 0.00 0.00 58.87 57.73 2jo0 n SER 5 Cb 0.00 0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 63.88 2jo0 n SER 5 CO 0.00 0.00 0.00 -0.29 -3.01 0.00 0.00 175.04 171.74 2jo0 h ILE 6 N 1.46 0.00 0.00 0.44 6.09 -1.89 -3.38 117.51 120.23 2jo0 h ILE 6 Ca -0.13 -0.27 0.00 0.00 -1.37 0.00 0.00 64.86 63.09 2jo0 h ILE 6 Cb 0.60 0.00 0.00 0.00 0.47 0.00 0.00 36.82 37.89 2jo0 h ILE 6 CO 0.20 0.00 0.05 0.00 -3.07 0.00 0.00 178.15 175.33 2jo0 n LEU 7 N -3.93 0.27 0.21 2.19 -0.00 -1.26 -1.88 117.00 112.61 2jo0 n LEU 7 Ca -0.05 0.60 0.05 0.00 -0.00 0.00 0.00 56.01 56.60 2jo0 n LEU 7 Cb 0.17 -0.62 0.47 0.00 -0.00 0.00 0.00 43.42 43.44 2jo0 n LEU 7 CO 0.13 -0.69 0.86 0.44 -0.00 0.00 0.00 177.39 178.13 2jo0 h ASP 8 N 0.00 0.00 -0.16 1.45 5.19 -2.00 -3.16 116.42 117.73 2jo0 h ASP 8 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2jo0 h ASP 8 Cb 0.10 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.61 2jo0 h ASP 8 CO 0.00 0.23 0.00 2.30 -3.12 0.00 0.00 179.24 178.65 2jo0 n ILE 9 N -4.25 1.56 -1.66 0.35 -5.35 -0.79 -5.04 119.36 104.19 2jo0 n ILE 9 Ca -0.02 -1.54 -0.57 0.00 -0.27 0.00 0.00 62.75 60.35 2jo0 n ILE 9 Cb 0.29 0.12 -0.08 0.00 -1.74 0.00 0.00 39.64 38.23 2jo0 n ILE 9 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2jo0 n ARG 10 N -0.45 1.04 0.00 6.28 5.12 -1.20 -4.74 116.66 122.70 2jo0 n ARG 10 Ca 0.13 0.37 0.00 0.00 -1.93 0.00 0.00 57.85 56.42 2jo0 n ARG 10 Cb 0.56 -2.09 0.00 0.00 -1.16 0.00 0.00 32.46 29.78 2jo0 n ARG 10 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 2jo0 n GLN 11 N 5.76 0.00 -3.60 5.56 6.02 -1.26 -5.07 117.38 124.78 2jo0 n GLN 11 Ca 0.30 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.06 2jo0 n GLN 11 Cb 0.12 -0.49 0.04 0.00 1.02 0.00 0.00 30.24 30.94 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 0.79 -0.62 0.00 1.08 0.00 -1.26 -4.84 105.19 100.33 2jo0 n GLY 12 Ca 0.00 0.29 0.03 0.00 0.00 0.00 0.00 46.02 46.34 2jo0 n GLY 12 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 13 N -4.05 0.19 -0.59 1.61 -0.04 -1.26 -4.84 135.00 126.02 2jo0 n PRO 13 Ca -0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.25 2jo0 n PRO 13 Cb 0.65 -1.49 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 2jo0 n PRO 13 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jo0 n LYS 14 N -0.99 -1.19 0.00 0.54 4.81 -1.26 -4.35 118.16 115.72 2jo0 n LYS 14 Ca 0.05 0.22 0.00 0.00 -0.87 0.00 0.00 58.31 57.70 2jo0 n LYS 14 Cb 0.02 -4.03 0.00 0.00 0.02 0.00 0.00 35.03 31.04 2jo0 n LYS 14 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2jo0 n GLU 15 N -0.05 0.00 -2.63 1.64 1.02 -1.26 -4.71 120.64 114.65 2jo0 n GLU 15 Ca 0.00 0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.82 2jo0 n GLU 15 Cb 0.22 -0.19 -0.04 0.00 -0.02 0.00 0.00 31.44 31.41 2jo0 n GLU 15 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 2jo0 s PRO 16 N -1.32 3.97 0.01 3.49 0.04 -1.26 -4.26 135.00 135.67 2jo0 s PRO 16 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 2jo0 s PRO 16 Cb 0.00 -2.22 0.00 0.00 0.04 0.00 0.00 34.50 32.32 2jo0 s PRO 16 CO 0.00 -0.14 0.00 1.19 0.04 0.00 0.00 177.00 178.09 2jo0 n PHE 17 N -1.25 -0.05 -0.35 0.56 3.01 -1.26 -4.87 117.46 113.26 2jo0 n PHE 17 Ca 0.06 0.01 0.02 0.00 1.01 0.00 0.00 57.45 58.55 2jo0 n PHE 17 Cb 0.54 0.21 0.19 0.00 -0.01 0.00 0.00 39.48 40.40 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.07 1.01 0.00 0.00 176.76 177.84 2jo0 h ARG 18 N 0.00 1.12 -0.23 -1.08 -0.00 -1.94 0.30 114.38 112.55 2jo0 h ARG 18 Ca 0.00 -0.07 -0.17 0.00 -0.00 0.00 0.00 59.98 59.74 2jo0 h ARG 18 Cb 0.00 -0.25 -0.00 0.00 -0.00 0.00 0.00 29.97 29.71 2jo0 h ARG 18 CO 0.00 0.74 -0.56 0.38 -0.00 0.00 0.00 179.97 180.53 2jo0 h ASP 19 N 1.15 0.78 0.39 0.08 2.03 -1.98 -2.99 116.42 115.88 2jo0 h ASP 19 Ca 0.41 -0.42 -0.31 0.00 -0.73 0.00 0.00 57.03 55.97 2jo0 h ASP 19 Cb 0.13 -0.22 -0.05 0.00 -0.83 0.00 0.00 39.33 38.36 2jo0 h ASP 19 CO -0.15 1.18 -1.81 0.00 -1.03 0.00 0.00 179.24 177.43 2jo0 n TYR 20 N -3.97 0.98 0.02 4.15 4.19 -1.15 -4.21 117.16 117.16 2jo0 n TYR 20 Ca -0.04 0.32 0.01 0.00 3.31 0.00 0.00 57.90 61.50 2jo0 n TYR 20 Cb 0.62 -1.17 0.33 0.00 0.49 0.00 0.00 39.34 39.62 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 0.01 1.18 -0.02 2.97 3.04 -0.96 0.10 116.25 122.57 2jo0 h VAL 21 Ca -0.33 -0.68 0.01 0.00 -1.01 0.00 0.00 66.70 64.69 2jo0 h VAL 21 Cb 2.03 0.91 -0.03 0.00 -2.01 0.00 0.00 31.29 32.20 2jo0 h VAL 21 CO 0.08 0.24 -0.27 -0.78 -1.01 0.00 0.00 177.57 175.83 2jo0 h ASP 22 N 0.47 -0.83 0.72 3.17 1.82 -1.71 0.05 116.42 120.11 2jo0 h ASP 22 Ca 0.10 0.09 -0.01 0.00 -0.39 0.00 0.00 57.03 56.83 2jo0 h ASP 22 Cb 0.27 0.32 -0.00 0.00 0.68 0.00 0.00 39.33 40.60 2jo0 h ASP 22 CO 0.01 -0.25 -0.05 0.03 -1.61 0.00 0.00 179.24 177.36 2jo0 h ARG 23 N -0.32 0.00 0.00 0.28 2.47 -1.56 -1.93 114.38 113.32 2jo0 h ARG 23 Ca 0.01 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.72 2jo0 h ARG 23 Cb 0.35 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.67 2jo0 h ARG 23 CO -0.19 0.05 -0.16 0.35 0.56 0.00 0.00 179.97 180.58 2jo0 h PHE 24 N 0.00 0.00 0.00 3.04 3.04 -0.77 -3.41 116.94 118.84 2jo0 h PHE 24 Ca -0.00 0.00 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 2jo0 h PHE 24 Cb 0.43 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.92 2jo0 h PHE 24 CO 0.00 0.09 -0.40 1.88 -2.02 0.00 0.00 178.31 177.86 2jo0 h TYR 25 N -1.00 0.00 -1.02 0.41 -1.99 -0.79 -0.59 116.97 111.99 2jo0 h TYR 25 Ca -0.01 0.00 0.30 0.00 2.00 0.00 0.00 58.73 61.02 2jo0 h TYR 25 Cb 0.21 0.00 -0.04 0.00 2.00 0.00 0.00 36.73 38.90 2jo0 h TYR 25 CO -0.04 0.40 0.81 1.57 -0.00 0.00 0.00 178.16 180.90 2jo0 h LYS 26 N 0.00 0.00 0.00 4.88 -0.00 -1.57 -2.96 116.57 116.92 2jo0 h LYS 26 Ca -0.00 0.00 -0.15 0.00 -0.00 0.00 0.00 60.65 60.50 2jo0 h LYS 26 Cb 0.70 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.91 2jo0 h LYS 26 CO 0.05 0.00 -1.52 0.25 -0.00 0.00 0.00 179.45 178.23 2jo0 n THR 27 N -3.99 0.52 -0.30 0.07 -2.24 -1.03 -4.77 114.28 102.52 2jo0 n THR 27 Ca 0.22 -0.16 0.14 0.00 -2.27 0.00 0.00 64.05 61.97 2jo0 n THR 27 Cb 1.15 -1.22 0.31 0.00 -2.10 0.00 0.00 70.33 68.47 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 -0.17 0.16 -0.73 3.22 7.12 -0.95 -0.38 115.31 123.58 2jo0 h LEU 28 Ca -0.22 0.18 0.00 0.00 0.13 0.00 0.00 57.88 57.97 2jo0 h LEU 28 Cb 1.26 0.20 0.00 0.00 -0.53 0.00 0.00 40.66 41.59 2jo0 h LEU 28 CO -0.09 -0.09 0.31 -2.11 -0.13 0.00 0.00 178.44 176.33 2jo0 n ARG 29 N -5.14 0.08 -0.01 1.25 1.85 -1.14 -0.77 116.66 112.77 2jo0 n ARG 29 Ca 0.22 0.53 0.00 0.00 -1.00 0.00 0.00 57.85 57.60 2jo0 n ARG 29 Cb 0.69 -2.05 0.01 0.00 -1.05 0.00 0.00 32.46 30.05 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jo0 n ALA 30 N -1.52 1.66 0.00 2.89 0.00 -0.16 -4.18 120.51 119.20 2jo0 n ALA 30 Ca -0.01 -0.89 0.00 0.00 0.00 0.00 0.00 53.44 52.55 2jo0 n ALA 30 Cb 0.33 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -0.35 2.31 0.00 0.00 1.02 0.05 -4.86 120.64 118.81 2jo0 n GLU 31 Ca 0.01 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.15 2jo0 n GLU 31 Cb 0.36 -0.80 0.00 0.00 -0.02 0.00 0.00 31.44 30.98 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 -0.93 4.64 0.00 3.49 1.13 -0.32 -5.05 117.38 120.35 2jo0 n GLN 32 Ca 0.00 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.06 2jo0 n GLN 32 Cb 0.00 -0.45 0.00 0.00 0.11 0.00 0.00 30.24 29.90 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 -0.07 0.00 -0.40 -1.58 0.00 -0.70 -5.00 120.51 112.75 2jo0 n ALA 33 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.27 2jo0 n ALA 33 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2jo0 n SER 34 N 0.00 1.88 -1.06 0.00 7.64 -1.26 -4.70 113.62 116.12 2jo0 n SER 34 Ca 0.00 -2.23 0.00 0.00 1.01 0.00 0.00 58.87 57.65 2jo0 n SER 34 Cb 0.00 -0.74 0.00 0.00 -1.01 0.00 0.00 64.21 62.46 2jo0 n SER 34 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2jo0 n GLN 35 N 5.33 0.86 -4.16 1.43 7.27 -1.26 -4.45 117.38 122.40 2jo0 n GLN 35 Ca 0.24 0.00 -0.16 0.00 0.07 0.00 0.00 57.00 57.16 2jo0 n GLN 35 Cb 0.13 -1.07 -0.06 0.00 2.41 0.00 0.00 30.24 31.65 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 0.15 1.77 0.59 3.69 2.12 -1.26 -5.01 118.70 120.75 2jo0 s GLU 36 Ca 0.00 -1.81 0.29 0.00 0.36 0.00 0.00 54.97 53.82 2jo0 s GLU 36 Cb 0.00 0.39 1.39 0.00 0.26 0.00 0.00 34.13 36.17 2jo0 s GLU 36 CO 0.00 -0.70 1.79 0.28 -0.54 0.00 0.00 175.26 176.09 2jo0 h VAL 37 N 2.18 0.30 0.00 3.70 2.07 -2.01 -0.56 116.25 121.93 2jo0 h VAL 37 Ca -0.28 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.24 2jo0 h VAL 37 Cb 1.24 0.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.50 2jo0 h VAL 37 CO 0.39 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.27 2jo0 n LYS 38 N -3.67 0.00 -0.40 1.57 5.02 -1.26 -3.71 118.16 115.72 2jo0 n LYS 38 Ca 0.13 0.00 0.34 0.00 -2.02 0.00 0.00 58.31 56.75 2jo0 n LYS 38 Cb 0.87 -1.00 0.65 0.00 -0.02 0.00 0.00 35.03 35.53 2jo0 n LYS 38 CO 0.00 0.00 0.00 -0.97 -0.52 0.00 0.00 177.40 175.91 2jo0 h ASN 39 N 0.55 0.22 -2.56 4.39 -0.73 -1.31 -3.44 115.58 112.70 2jo0 h ASN 39 Ca 0.00 0.07 -0.56 0.00 1.87 0.00 0.00 56.30 57.68 2jo0 h ASN 39 Cb 0.00 0.04 0.21 0.00 0.27 0.00 0.00 38.32 38.85 2jo0 h ASN 39 CO 0.00 -0.03 -1.16 0.00 -0.37 0.00 0.00 177.43 175.87 2jo0 n ALA 40 N -2.61 -3.65 -1.07 1.57 0.00 -1.24 -3.63 120.51 109.87 2jo0 n ALA 40 Ca 0.31 -0.48 -0.05 0.00 0.00 0.00 0.00 53.44 53.23 2jo0 n ALA 40 Cb 1.26 -1.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.22 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 0.74 -1.86 -4.48 0.00 2.81 -1.26 -4.94 117.12 108.12 2jo0 n MET 41 Ca 0.04 0.62 -0.23 0.00 -1.81 0.00 0.00 57.70 56.32 2jo0 n MET 41 Cb 0.53 -4.96 -0.11 0.00 -0.71 0.00 0.00 33.22 27.97 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 -1.32 1.27 -0.82 2.03 -4.23 -1.24 -5.04 115.64 106.29 2jo0 s THR 42 Ca 0.00 -2.00 0.06 0.00 -1.18 0.00 0.00 61.69 58.57 2jo0 s THR 42 Cb 0.00 -2.80 0.06 0.00 1.34 0.00 0.00 72.50 71.11 2jo0 s THR 42 CO 0.00 0.00 1.20 -1.84 -0.54 0.00 0.00 174.62 173.44 2jo0 n GLU 43 N -0.74 0.03 -0.25 3.99 0.28 -1.26 -4.62 120.64 118.07 2jo0 n GLU 43 Ca -0.03 0.51 0.00 0.00 -0.16 0.00 0.00 57.16 57.48 2jo0 n GLU 43 Cb 0.67 -1.61 0.00 0.00 1.43 0.00 0.00 31.44 31.93 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 -1.68 0.00 0.63 3.84 -1.04 -1.26 -4.80 114.28 109.97 2jo0 n THR 44 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2jo0 n THR 44 Cb 0.03 -0.34 0.00 0.00 -1.82 0.00 0.00 70.33 68.20 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 2.63 0.09 -3.82 -4.42 -0.00 -1.26 -4.78 117.00 105.44 2jo0 n LEU 45 Ca 0.00 -0.05 -0.09 0.00 -0.00 0.00 0.00 56.01 55.87 2jo0 n LEU 45 Cb 0.00 -0.05 0.02 0.00 -0.00 0.00 0.00 43.42 43.39 2jo0 n LEU 45 CO 0.09 0.02 0.51 -1.48 -0.00 0.00 0.00 177.39 176.54 2jo0 s LEU 46 N -0.74 0.05 -0.05 1.47 -0.00 -1.26 -5.03 118.68 113.12 2jo0 s LEU 46 Ca 0.00 -1.15 0.03 0.00 -0.00 0.00 0.00 54.13 53.01 2jo0 s LEU 46 Cb 0.00 2.78 0.00 0.00 -0.00 0.00 0.00 46.19 48.97 2jo0 s LEU 46 CO 0.00 -1.66 -0.14 -0.69 -0.00 0.00 0.00 176.35 173.85 2jo0 s VAL 47 N -2.39 1.22 0.19 1.48 1.01 -1.26 -5.05 120.40 115.60 2jo0 s VAL 47 Ca 0.16 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.40 2jo0 s VAL 47 Cb -0.05 -1.07 0.17 0.00 0.00 0.00 0.00 36.38 35.43 2jo0 s VAL 47 CO 0.12 0.36 1.63 1.56 0.00 0.00 0.00 175.10 178.77 2jo0 h GLN 48 N 6.47 -0.06 -0.84 2.72 4.20 -1.96 -2.80 115.11 122.85 2jo0 h GLN 48 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.39 2jo0 h GLN 48 Cb 1.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2jo0 h GLN 48 CO 0.48 -0.04 0.00 -1.71 -0.67 0.00 0.00 178.83 176.89 2jo0 n ASN 49 N -5.41 1.95 -4.68 1.46 5.15 -1.26 -4.97 115.26 107.51 2jo0 n ASN 49 Ca 0.05 -2.19 -0.45 0.00 -0.60 0.00 0.00 54.58 51.39 2jo0 n ASN 49 Cb 0.31 -0.50 -0.04 0.00 -0.53 0.00 0.00 39.78 39.02 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 0.13 1.52 -2.28 5.20 0.00 -1.06 -4.84 120.51 119.19 2jo0 n ALA 50 Ca 0.06 0.43 -0.23 0.00 0.00 0.00 0.00 53.44 53.70 2jo0 n ALA 50 Cb 0.43 -2.36 -0.01 0.00 0.00 0.00 0.00 19.45 17.52 2jo0 n ALA 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2jo0 s ASN 51 N 0.78 4.85 0.36 0.00 4.22 -1.26 -4.91 114.94 118.98 2jo0 s ASN 51 Ca 0.75 -1.00 0.06 0.00 -2.14 0.00 0.00 52.86 50.53 2jo0 s ASN 51 Cb -0.65 0.02 0.70 0.00 1.28 0.00 0.00 41.25 42.60 2jo0 s ASN 51 CO 0.40 -0.96 1.92 1.55 -2.04 0.00 0.00 177.10 177.97 2jo0 h PRO 52 N 0.78 0.47 0.40 3.55 0.13 -1.95 -2.02 132.00 133.37 2jo0 h PRO 52 Ca -0.38 -0.08 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 2jo0 h PRO 52 Cb 1.29 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jo0 h PRO 52 CO 0.55 0.47 -0.19 -0.44 -0.23 0.00 0.00 178.00 178.16 2jo0 h ASP 53 N 0.45 -0.46 -0.67 1.44 5.19 -1.95 -2.15 116.42 118.27 2jo0 h ASP 53 Ca 0.10 -0.12 0.14 0.00 -0.62 0.00 0.00 57.03 56.53 2jo0 h ASP 53 Cb 0.25 0.12 -0.11 0.00 0.18 0.00 0.00 39.33 39.77 2jo0 h ASP 53 CO 0.00 -0.07 0.04 0.00 -3.12 0.00 0.00 179.24 176.09 2jo0 h LYS 55 N 0.15 -0.62 0.00 0.00 6.56 -1.37 -0.27 116.57 121.02 2jo0 h LYS 55 Ca 0.36 0.04 0.00 0.00 -1.06 0.00 0.00 60.65 59.99 2jo0 h LYS 55 Cb 0.60 0.14 0.00 0.00 -0.57 0.00 0.00 32.23 32.40 2jo0 h LYS 55 CO -0.55 -0.41 0.00 1.15 -2.06 0.00 0.00 179.45 177.58 2jo0 h THR 56 N -0.64 0.00 0.00 -0.16 2.02 -0.44 -1.59 112.91 112.10 2jo0 h THR 56 Ca -0.01 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.99 2jo0 h THR 56 Cb 0.59 1.16 0.00 0.00 -1.74 0.00 0.00 68.15 68.16 2jo0 h THR 56 CO -0.07 0.00 -0.42 -0.38 0.37 0.00 0.00 175.52 175.01 2jo0 n ILE 57 N -3.05 0.84 0.28 3.11 5.41 0.88 -4.35 119.36 122.49 2jo0 n ILE 57 Ca -0.02 0.32 0.09 0.00 1.00 0.00 0.00 62.75 64.14 2jo0 n ILE 57 Cb 0.15 -2.01 0.43 0.00 -0.71 0.00 0.00 39.64 37.51 2jo0 n ILE 57 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2jo0 n LEU 58 N -3.63 0.45 -0.65 1.39 4.32 -0.14 -1.57 117.00 117.17 2jo0 n LEU 58 Ca -0.06 0.65 0.49 0.00 -0.02 0.00 0.00 56.01 57.08 2jo0 n LEU 58 Cb 0.22 -0.64 0.76 0.00 -1.62 0.00 0.00 43.42 42.14 2jo0 n LEU 58 CO 0.09 -0.64 1.40 0.29 -1.22 0.00 0.00 177.39 177.31 2jo0 n LYS 59 N -2.05 0.00 0.00 3.23 5.02 -0.60 -1.91 118.16 121.86 2jo0 n LYS 59 Ca 0.01 1.02 0.00 0.00 -2.02 0.00 0.00 58.31 57.32 2jo0 n LYS 59 Cb 0.12 -2.38 0.00 0.00 -0.02 0.00 0.00 35.03 32.75 2jo0 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jo0 n ALA 60 N -2.84 0.77 -2.55 7.82 0.00 -0.61 -4.62 120.51 118.48 2jo0 n ALA 60 Ca 0.41 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 2jo0 n ALA 60 Cb 1.90 0.00 0.02 0.00 0.00 0.00 0.00 19.45 21.36 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 -0.45 6.96 -2.93 0.00 7.94 -0.79 -4.74 117.00 122.99 2jo0 n LEU 61 Ca 0.00 -5.33 -0.32 0.00 -1.11 0.00 0.00 56.01 49.25 2jo0 n LEU 61 Cb 0.00 -1.06 0.00 0.00 0.53 0.00 0.00 43.42 42.89 2jo0 n LEU 61 CO 0.00 2.04 0.70 0.61 -1.11 0.00 0.00 177.39 179.63 2jo0 n GLY 62 N -0.18 5.82 1.80 -3.96 0.00 -1.26 -4.40 105.19 103.01 2jo0 n GLY 62 Ca 0.46 -2.68 -0.04 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.34 1.10 -0.31 1.61 -0.04 -1.26 -4.79 135.00 130.96 2jo0 n PRO 63 Ca 0.41 -0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2jo0 n PRO 63 Cb 0.41 -1.41 0.00 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.99 0.00 0.00 0.55 0.00 -1.26 -4.27 120.51 117.52 2jo0 n ALA 64 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.57 2jo0 n ALA 64 Cb 0.53 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.24 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 0.96 2.47 0.28 0.00 0.00 -1.26 -4.88 120.51 118.07 2jo0 n ALA 65 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 2jo0 n ALA 65 Cb 0.00 0.00 0.83 0.00 0.00 0.00 0.00 19.45 20.28 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 -0.45 0.00 2.02 -1.92 -2.61 112.91 109.95 2jo0 h THR 66 Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 2jo0 h THR 66 Cb 0.00 0.68 -0.06 0.00 -1.74 0.00 0.00 68.15 67.03 2jo0 h THR 66 CO 0.00 0.00 0.09 0.25 0.37 0.00 0.00 175.52 176.23 2jo0 h LEU 67 N 0.00 0.02 -1.80 2.58 6.46 -1.90 -2.22 115.31 118.45 2jo0 h LEU 67 Ca 0.00 0.08 0.15 0.00 -0.12 0.00 0.00 57.88 57.99 2jo0 h LEU 67 Cb 0.32 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.32 2jo0 h LEU 67 CO 0.00 0.04 0.45 -0.33 -0.62 0.00 0.00 178.44 177.98 2jo0 h GLU 68 N 0.23 0.19 0.07 1.25 5.08 -1.85 0.24 114.58 119.79 2jo0 h GLU 68 Ca 0.22 -0.01 -0.29 0.00 -1.00 0.00 0.00 59.36 58.28 2jo0 h GLU 68 Cb 0.27 -0.04 0.03 0.00 0.50 0.00 0.00 28.75 29.51 2jo0 h GLU 68 CO -0.28 0.13 -1.17 1.05 -1.00 0.00 0.00 179.01 177.73 2jo0 h GLU 69 N 0.20 0.66 0.00 2.33 4.11 -1.67 -3.36 114.58 116.85 2jo0 h GLU 69 Ca 0.31 -0.81 -0.05 0.00 0.07 0.00 0.00 59.36 58.89 2jo0 h GLU 69 Cb 0.95 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 30.44 2jo0 h GLU 69 CO -0.06 1.36 -0.22 0.52 0.07 0.00 0.00 179.01 180.69 2jo0 h MET 70 N 0.33 0.00 0.26 1.06 2.86 -0.04 -0.65 114.93 118.75 2jo0 h MET 70 Ca -0.17 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2jo0 h MET 70 Cb 1.84 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 33.46 2jo0 h MET 70 CO 0.23 0.22 -0.48 1.98 1.06 0.00 0.00 176.91 179.92 2jo0 h MET 71 N 0.00 -0.78 -0.60 1.72 1.85 -1.09 -3.01 114.93 113.03 2jo0 h MET 71 Ca -0.00 0.05 0.00 0.00 -0.61 0.00 0.00 59.70 59.14 2jo0 h MET 71 Cb 0.48 0.18 -0.03 0.00 0.43 0.00 0.00 31.60 32.66 2jo0 h MET 71 CO 0.03 -0.52 0.38 1.15 -0.40 0.00 0.00 176.91 177.55 2jo0 h THR 72 N -0.81 1.17 -0.81 -0.77 2.02 -1.41 -3.30 112.91 109.00 2jo0 h THR 72 Ca -0.02 -0.34 0.20 0.00 0.77 0.00 0.00 66.41 67.03 2jo0 h THR 72 Cb 0.77 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 2jo0 h THR 72 CO -0.19 0.16 0.56 0.00 0.37 0.00 0.00 175.52 176.42 2jo0 h ALA 73 N 1.20 2.39 -0.36 6.16 0.00 -1.02 0.61 119.26 128.24 2jo0 h ALA 73 Ca 0.22 -0.00 0.10 0.00 0.00 0.00 0.00 54.91 55.23 2jo0 h ALA 73 Cb -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2jo0 h ALA 73 CO -0.04 -0.63 0.38 0.00 0.00 0.00 0.00 179.25 178.95 2jo0 h GLN 75 N 0.00 0.59 -0.05 0.00 3.07 -1.11 -3.08 115.11 114.53 2jo0 h GLN 75 Ca 0.17 -0.11 0.00 0.00 0.09 0.00 0.00 58.65 58.80 2jo0 h GLN 75 Cb 0.92 -0.09 0.00 0.00 0.08 0.00 0.00 27.48 28.39 2jo0 h GLN 75 CO -0.00 0.57 0.00 0.41 0.09 0.00 0.00 178.83 179.90 2jo0 n GLY 76 N -0.95 -0.49 0.56 0.06 0.00 -0.80 -2.69 105.19 100.89 2jo0 n GLY 76 Ca 0.02 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.81 2jo0 n GLY 76 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jo0 n VAL 77 N -0.37 0.53 0.00 1.61 0.31 -1.16 -4.96 118.33 114.28 2jo0 n VAL 77 Ca 0.17 -0.81 0.00 0.00 -0.01 0.00 0.00 64.34 63.69 2jo0 n VAL 77 Cb 0.19 0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.50 2jo0 n VAL 77 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2jo0 n GLY 78 N -0.30 0.85 7.00 2.92 0.00 -1.24 -4.89 105.19 109.54 2jo0 n GLY 78 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2jo0 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2jo0 n GLY 79 N 0.00 0.91 2.03 -0.02 0.00 -1.09 -3.85 105.19 103.16 2jo0 n GLY 79 Ca 0.00 -0.80 -0.09 0.00 0.00 0.00 0.00 46.02 45.13 2jo0 n GLY 79 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2jo0 n PRO 80 N 0.00 1.58 0.13 1.61 -0.04 -1.26 -4.68 135.00 132.34 2jo0 n PRO 80 Ca 0.00 -0.74 0.10 0.00 -0.04 0.00 0.00 63.50 62.82 2jo0 n PRO 80 Cb 0.00 -1.83 0.50 0.00 -0.04 0.00 0.00 33.50 32.13 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 2.47 -0.97 0.39 0.55 0.00 -1.25 -3.67 105.19 102.72 2jo0 n GLY 81 Ca 0.32 0.14 0.21 0.00 0.00 0.00 0.00 46.02 46.68 2jo0 n GLY 81 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 2jo0 h HIS 82 N 0.00 0.00 0.00 1.61 2.07 -1.94 -3.33 115.15 113.56 2jo0 h HIS 82 Ca 0.00 0.00 -0.59 0.00 -2.85 0.00 0.00 60.37 56.93 2jo0 h HIS 82 Cb 0.12 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.13 2jo0 h HIS 82 CO 0.00 0.00 3.50 1.17 -3.07 0.00 0.00 177.93 179.53 2jo0 n LYS 83 N -3.67 3.23 -1.18 5.12 0.00 -1.24 -4.96 118.16 115.47 2jo0 n LYS 83 Ca 0.08 -2.01 -0.37 0.00 0.00 0.00 0.00 58.31 56.01 2jo0 n LYS 83 Cb 0.66 -2.72 0.05 0.00 0.00 0.00 0.00 35.03 33.02 2jo0 n LYS 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2jo0 n ALA 84 N 3.86 -2.71 -2.14 3.14 0.00 -1.25 -4.99 120.51 116.42 2jo0 n ALA 84 Ca 0.69 -0.30 0.03 0.00 0.00 0.00 0.00 53.44 53.86 2jo0 n ALA 84 Cb 0.21 -1.61 0.04 0.00 0.00 0.00 0.00 19.45 18.09 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 0.34 0.27 -4.01 0.00 0.63 -1.26 -5.07 116.66 107.56 2jo0 n ARG 85 Ca 0.07 -1.87 -0.12 0.00 -0.92 0.00 0.00 57.85 55.01 2jo0 n ARG 85 Cb 0.51 -0.44 -0.04 0.00 0.45 0.00 0.00 32.46 32.93 2jo0 n ARG 85 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2jo0 s VAL 86 N -0.57 0.00 0.00 5.15 0.11 -1.26 -5.35 120.40 118.48 2jo0 s VAL 86 Ca 0.24 -1.44 0.00 0.00 -2.93 0.00 0.00 61.98 57.84 2jo0 s VAL 86 Cb 0.26 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.60 2jo0 s VAL 86 CO -0.09 0.00 0.10 -0.11 -3.33 0.00 0.00 175.10 171.66