#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 0.00 -0.35 7.83 3.41 -1.26 -5.15 113.62 118.10 2jo0 n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2jo0 n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2jo0 n SER 2 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 2jo0 n PRO 3 N -0.43 2.74 0.00 4.33 -0.04 -1.26 -5.06 135.00 135.27 2jo0 n PRO 3 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2jo0 n PRO 3 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 -0.04 0.48 -1.07 0.52 -2.24 -1.26 -5.07 114.28 105.60 2jo0 n THR 4 Ca 0.00 -0.64 -0.29 0.00 -2.27 0.00 0.00 64.05 60.85 2jo0 n THR 4 Cb 0.00 0.84 0.20 0.00 -2.10 0.00 0.00 70.33 69.27 2jo0 n THR 4 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 2jo0 s SER 5 N -0.48 1.98 -0.03 3.42 1.04 -1.26 -4.59 113.70 113.79 2jo0 s SER 5 Ca 0.00 1.09 0.02 0.00 0.48 0.00 0.00 55.95 57.54 2jo0 s SER 5 Cb 0.00 -1.69 -0.26 0.00 0.10 0.00 0.00 66.02 64.17 2jo0 s SER 5 CO 0.00 -3.52 0.72 0.16 0.98 0.00 0.00 173.24 171.58 2jo0 h ILE 6 N -2.16 0.98 0.00 -1.02 -0.00 -1.93 -3.37 117.51 110.02 2jo0 h ILE 6 Ca -0.54 -2.71 0.00 0.00 -0.00 0.00 0.00 64.86 61.61 2jo0 h ILE 6 Cb 1.33 2.61 0.00 0.00 -0.00 0.00 0.00 36.82 40.75 2jo0 h ILE 6 CO 0.53 0.74 0.00 0.00 -0.00 0.00 0.00 178.15 179.42 2jo0 n LEU 7 N -3.33 0.00 0.10 0.16 -0.00 -1.26 -1.24 117.00 111.43 2jo0 n LEU 7 Ca -0.19 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 55.94 2jo0 n LEU 7 Cb 1.04 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.67 2jo0 n LEU 7 CO 0.47 0.00 0.51 -0.78 -0.00 0.00 0.00 177.39 177.59 2jo0 h ASP 8 N 0.04 0.00 -4.22 1.45 3.58 -1.99 -3.47 116.42 111.81 2jo0 h ASP 8 Ca 0.00 -0.09 -0.35 0.00 0.42 0.00 0.00 57.03 57.01 2jo0 h ASP 8 Cb 0.00 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 40.91 2jo0 h ASP 8 CO 0.00 0.05 -0.64 0.27 -2.88 0.00 0.00 179.24 176.03 2jo0 s ILE 9 N -3.18 0.79 0.61 2.25 -4.36 -0.38 -4.60 121.20 112.34 2jo0 s ILE 9 Ca 0.07 -2.01 -0.16 0.00 -0.26 0.00 0.00 60.65 58.29 2jo0 s ILE 9 Cb 0.11 -2.38 -0.03 0.00 1.25 0.00 0.00 42.46 41.41 2jo0 s ILE 9 CO 0.69 -0.26 1.07 0.00 0.24 0.00 0.00 174.94 176.68 2jo0 s ARG 10 N -3.93 3.18 0.00 0.37 1.04 -1.26 -4.98 118.95 113.37 2jo0 s ARG 10 Ca 0.30 1.26 0.00 0.00 -1.04 0.00 0.00 55.73 56.25 2jo0 s ARG 10 Cb 0.07 -2.01 0.00 0.00 -2.04 0.00 0.00 34.95 30.96 2jo0 s ARG 10 CO 0.09 -0.93 0.00 0.00 -0.04 0.00 0.00 175.30 174.42 2jo0 n GLN 11 N -2.12 0.66 -2.67 3.89 0.00 -1.26 -5.06 117.38 110.82 2jo0 n GLN 11 Ca 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 57.00 57.05 2jo0 n GLN 11 Cb 0.53 0.00 0.07 0.00 0.00 0.00 0.00 30.24 30.84 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2jo0 n GLY 12 N 1.45 -0.69 0.00 2.61 0.00 -1.26 -4.97 105.19 102.34 2jo0 n GLY 12 Ca 0.00 0.38 0.05 0.00 0.00 0.00 0.00 46.02 46.46 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 0.06 0.16 0.00 1.61 -0.04 -1.26 -2.45 135.00 133.08 2jo0 n PRO 13 Ca -0.10 0.18 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 2jo0 n PRO 13 Cb 0.73 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 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 -1.29 1.03 -2.08 0.54 3.00 -1.26 -4.89 118.16 113.22 2jo0 n LYS 14 Ca 0.05 -0.12 -0.21 0.00 -0.00 0.00 0.00 58.31 58.04 2jo0 n LYS 14 Cb 0.09 -0.49 0.12 0.00 0.00 0.00 0.00 35.03 34.75 2jo0 n LYS 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2jo0 n GLU 15 N -0.18 -0.30 -0.67 1.64 4.71 -1.03 -5.08 120.64 119.73 2jo0 n GLU 15 Ca 0.00 -2.14 -0.30 0.00 -0.01 0.00 0.00 57.16 54.71 2jo0 n GLU 15 Cb 0.08 -0.72 0.18 0.00 -1.01 0.00 0.00 31.44 29.98 2jo0 n GLU 15 CO 0.00 0.00 0.00 -2.14 0.09 0.00 0.00 177.13 175.08 2jo0 s PRO 16 N -4.89 0.64 0.00 3.49 0.02 -1.26 -4.96 135.00 128.04 2jo0 s PRO 16 Ca 0.58 1.41 0.00 0.00 0.02 0.00 0.00 61.00 63.01 2jo0 s PRO 16 Cb -0.03 -1.69 0.00 0.00 0.02 0.00 0.00 34.50 32.80 2jo0 s PRO 16 CO 0.39 -2.85 0.00 1.19 -0.33 0.00 0.00 177.00 175.40 2jo0 n PHE 17 N -4.37 0.00 -0.06 6.54 3.01 -1.26 -4.21 117.46 117.11 2jo0 n PHE 17 Ca 0.10 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.54 2jo0 n PHE 17 Cb 0.52 0.00 -0.01 0.00 -0.01 0.00 0.00 39.48 39.98 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2jo0 n ARG 18 N 0.00 -0.06 0.15 -1.08 3.00 -1.26 0.19 116.66 117.60 2jo0 n ARG 18 Ca 0.00 0.22 0.12 0.00 -0.01 0.00 0.00 57.85 58.18 2jo0 n ARG 18 Cb 0.00 -0.32 0.55 0.00 0.00 0.00 0.00 32.46 32.68 2jo0 n ARG 18 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.63 177.19 2jo0 h ASP 19 N 0.00 0.00 0.00 0.55 5.19 -2.00 -2.89 116.42 117.28 2jo0 h ASP 19 Ca 0.02 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.43 2jo0 h ASP 19 Cb 0.06 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 39.57 2jo0 h ASP 19 CO -0.13 0.00 -1.03 0.00 -3.12 0.00 0.00 179.24 174.96 2jo0 n TYR 20 N -2.32 0.00 -0.28 4.55 4.19 0.02 -4.78 117.16 118.54 2jo0 n TYR 20 Ca 0.01 0.00 -0.05 0.00 3.31 0.00 0.00 57.90 61.17 2jo0 n TYR 20 Cb 0.18 -0.02 0.07 0.00 0.49 0.00 0.00 39.34 40.06 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 -0.97 2.97 3.04 -0.05 -1.49 116.25 120.97 2jo0 h VAL 21 Ca -0.01 -0.44 0.04 0.00 -1.01 0.00 0.00 66.70 65.28 2jo0 h VAL 21 Cb 0.82 0.12 -0.06 0.00 -2.01 0.00 0.00 31.29 30.17 2jo0 h VAL 21 CO 0.00 0.21 0.63 0.44 -1.01 0.00 0.00 177.57 177.85 2jo0 h ASP 22 N 1.05 1.04 -0.68 3.17 5.19 -1.77 0.20 116.42 124.61 2jo0 h ASP 22 Ca 0.28 -0.01 -0.08 0.00 -0.62 0.00 0.00 57.03 56.60 2jo0 h ASP 22 Cb -0.06 -0.23 -0.03 0.00 0.18 0.00 0.00 39.33 39.19 2jo0 h ASP 22 CO -0.05 0.70 0.13 0.03 -3.12 0.00 0.00 179.24 176.93 2jo0 h ARG 23 N 1.20 1.12 0.03 3.56 2.47 -1.58 -2.86 114.38 118.30 2jo0 h ARG 23 Ca 0.39 -0.29 -0.26 0.00 -1.26 0.00 0.00 59.98 58.56 2jo0 h ARG 23 Cb 0.04 -0.14 -0.03 0.00 -1.65 0.00 0.00 29.97 28.20 2jo0 h ARG 23 CO -0.13 1.01 -1.44 0.34 0.56 0.00 0.00 179.97 180.31 2jo0 n PHE 24 N -4.23 1.06 -0.17 3.04 7.35 -0.78 -4.12 117.46 119.61 2jo0 n PHE 24 Ca 0.05 0.40 0.14 0.00 -0.76 0.00 0.00 57.45 57.28 2jo0 n PHE 24 Cb 0.28 -1.11 0.48 0.00 0.35 0.00 0.00 39.48 39.48 2jo0 n PHE 24 CO 0.00 0.00 0.00 1.88 -0.76 0.00 0.00 176.76 177.88 2jo0 h TYR 25 N -0.78 0.53 -0.83 -5.13 -1.99 -0.77 0.63 116.97 108.64 2jo0 h TYR 25 Ca -0.37 0.01 0.24 0.00 2.00 0.00 0.00 58.73 60.61 2jo0 h TYR 25 Cb 1.46 -0.17 -0.03 0.00 2.00 0.00 0.00 36.73 39.99 2jo0 h TYR 25 CO 0.09 0.21 0.68 -0.22 -0.00 0.00 0.00 178.16 178.92 2jo0 h LYS 26 N 0.46 0.00 0.00 4.88 3.11 -1.66 -1.86 116.57 121.50 2jo0 h LYS 26 Ca 0.36 0.00 -0.27 0.00 -2.81 0.00 0.00 60.65 57.93 2jo0 h LYS 26 Cb 0.77 0.00 -0.05 0.00 -1.00 0.00 0.00 32.23 31.95 2jo0 h LYS 26 CO -0.12 0.00 -2.04 0.25 -2.81 0.00 0.00 179.45 174.73 2jo0 n THR 27 N -4.00 1.04 -0.32 1.00 -2.24 -0.08 -4.63 114.28 105.06 2jo0 n THR 27 Ca 0.17 -0.42 0.14 0.00 -2.27 0.00 0.00 64.05 61.67 2jo0 n THR 27 Cb 0.97 -1.11 0.36 0.00 -2.10 0.00 0.00 70.33 68.45 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 0.00 0.70 0.00 3.22 6.46 -0.78 0.21 115.31 125.13 2jo0 h LEU 28 Ca -0.41 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.43 2jo0 h LEU 28 Cb 1.65 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.53 2jo0 h LEU 28 CO -0.06 0.28 0.00 -2.11 -0.62 0.00 0.00 178.44 175.93 2jo0 n ARG 29 N -4.67 0.04 0.00 1.25 -4.01 -0.72 -0.52 116.66 108.03 2jo0 n ARG 29 Ca 0.22 0.00 0.02 0.00 -1.04 0.00 0.00 57.85 57.05 2jo0 n ARG 29 Cb 0.58 -1.02 -0.02 0.00 -3.04 0.00 0.00 32.46 28.95 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 -0.52 2.58 -0.74 2.89 0.00 0.06 -4.14 120.51 120.63 2jo0 n ALA 30 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2jo0 n ALA 30 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 19.45 19.29 2jo0 n ALA 30 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2jo0 n GLU 31 N -1.00 -0.01 0.00 0.00 0.28 -0.54 -4.77 120.64 114.59 2jo0 n GLU 31 Ca 0.01 -0.07 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 2jo0 n GLU 31 Cb 0.07 -0.52 0.00 0.00 1.43 0.00 0.00 31.44 32.42 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2jo0 n GLN 32 N -0.02 1.81 -1.04 3.44 1.13 0.33 -5.06 117.38 117.97 2jo0 n GLN 32 Ca 0.00 -0.12 -0.04 0.00 -1.94 0.00 0.00 57.00 54.90 2jo0 n GLN 32 Cb 0.19 -0.49 -0.02 0.00 0.11 0.00 0.00 30.24 30.03 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 -0.29 -0.06 -3.05 -1.58 0.00 -1.16 -4.91 120.51 109.47 2jo0 n ALA 33 Ca 0.00 0.06 -0.28 0.00 0.00 0.00 0.00 53.44 53.22 2jo0 n ALA 33 Cb 0.05 -0.57 -0.16 0.00 0.00 0.00 0.00 19.45 18.77 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 -1.26 2.43 0.00 0.00 0.01 -1.26 -4.92 113.70 108.70 2jo0 s SER 34 Ca 0.00 -0.41 0.02 0.00 1.31 0.00 0.00 55.95 56.87 2jo0 s SER 34 Cb 0.00 -0.85 0.01 0.00 0.21 0.00 0.00 66.02 65.39 2jo0 s SER 34 CO 0.00 0.15 0.53 1.67 0.41 0.00 0.00 173.24 176.00 2jo0 n GLN 35 N 3.31 -0.21 -2.86 12.44 0.00 -1.26 -4.50 117.38 124.31 2jo0 n GLN 35 Ca -0.19 -0.58 -0.21 0.00 -0.00 0.00 0.00 57.00 56.02 2jo0 n GLN 35 Cb 0.53 -1.01 0.09 0.00 0.00 0.00 0.00 30.24 29.85 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2jo0 s GLU 36 N -0.24 1.95 0.55 3.69 2.12 -1.26 -3.84 118.70 121.66 2jo0 s GLU 36 Ca 0.02 -1.49 0.25 0.00 0.36 0.00 0.00 54.97 54.11 2jo0 s GLU 36 Cb 0.02 -2.51 1.44 0.00 0.26 0.00 0.00 34.13 33.35 2jo0 s GLU 36 CO 0.03 -1.19 2.03 -0.24 -0.54 0.00 0.00 175.26 175.35 2jo0 h VAL 37 N -0.18 0.68 0.00 3.70 3.04 -1.96 -3.15 116.25 118.38 2jo0 h VAL 37 Ca -0.31 0.00 -0.20 0.00 -1.01 0.00 0.00 66.70 65.18 2jo0 h VAL 37 Cb 1.28 0.78 0.00 0.00 -2.01 0.00 0.00 31.29 31.33 2jo0 h VAL 37 CO 0.39 0.00 1.53 0.29 -1.01 0.00 0.00 177.57 178.77 2jo0 n LYS 38 N -4.22 1.19 -1.13 4.17 5.02 -1.26 -4.90 118.16 117.03 2jo0 n LYS 38 Ca 0.06 -0.91 -0.29 0.00 -2.02 0.00 0.00 58.31 55.15 2jo0 n LYS 38 Cb 0.50 -2.12 0.16 0.00 -0.02 0.00 0.00 35.03 33.54 2jo0 n LYS 38 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2jo0 s ASN 39 N 3.58 3.09 0.21 4.39 3.84 -1.19 -4.82 114.94 124.04 2jo0 s ASN 39 Ca 0.25 1.45 0.04 0.00 0.21 0.00 0.00 52.86 54.82 2jo0 s ASN 39 Cb 0.08 -2.12 -0.02 0.00 -0.55 0.00 0.00 41.25 38.64 2jo0 s ASN 39 CO -0.02 -2.87 0.15 0.00 -2.79 0.00 0.00 177.10 171.57 2jo0 n ALA 40 N -4.03 0.41 -2.33 1.71 0.00 -1.26 -5.09 120.51 109.92 2jo0 n ALA 40 Ca 0.06 -1.19 -0.42 0.00 0.00 0.00 0.00 53.44 51.89 2jo0 n ALA 40 Cb 0.55 0.93 0.00 0.00 0.00 0.00 0.00 19.45 20.94 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 -0.42 3.63 -3.76 0.00 2.81 -1.26 -4.80 117.12 113.31 2jo0 n MET 41 Ca 0.03 -3.53 -0.16 0.00 -1.81 0.00 0.00 57.70 52.24 2jo0 n MET 41 Cb 0.36 -2.92 -0.06 0.00 -0.71 0.00 0.00 33.22 29.89 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 3.32 0.00 0.08 2.03 -2.24 -1.26 -5.02 114.28 111.19 2jo0 n THR 42 Ca 0.40 -1.91 0.00 0.00 -2.27 0.00 0.00 64.05 60.27 2jo0 n THR 42 Cb 0.36 0.94 0.00 0.00 -2.10 0.00 0.00 70.33 69.53 2jo0 n THR 42 CO 0.00 0.00 0.00 -1.84 -0.57 0.00 0.00 175.07 172.66 2jo0 n GLU 43 N -0.51 0.04 0.00 -0.78 0.00 -1.26 -4.48 120.64 113.65 2jo0 n GLU 43 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.21 2jo0 n GLU 43 Cb 0.48 -1.00 0.00 0.00 0.00 0.00 0.00 31.44 30.91 2jo0 n GLU 43 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.13 174.76 2jo0 n THR 44 N -0.47 0.00 0.00 3.84 5.66 -1.26 -4.76 114.28 117.29 2jo0 n THR 44 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 2jo0 n THR 44 Cb 0.00 -0.63 0.00 0.00 -1.55 0.00 0.00 70.33 68.15 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 1.65 0.00 -3.91 1.09 -0.00 -1.26 -4.75 117.00 109.82 2jo0 n LEU 45 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2jo0 n LEU 45 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 43.42 43.43 2jo0 n LEU 45 CO 0.00 0.00 0.93 -1.48 -0.00 0.00 0.00 177.39 176.84 2jo0 s LEU 46 N -0.72 -0.00 -0.06 1.47 -0.00 -1.26 -4.89 118.68 113.22 2jo0 s LEU 46 Ca 0.00 -0.47 -0.03 0.00 -0.00 0.00 0.00 54.13 53.63 2jo0 s LEU 46 Cb 0.00 1.77 0.03 0.00 -0.00 0.00 0.00 46.19 47.99 2jo0 s LEU 46 CO 0.00 -0.70 0.14 -0.69 -0.00 0.00 0.00 176.35 175.10 2jo0 s VAL 47 N -2.14 -0.04 0.18 1.48 1.01 -1.26 -5.03 120.40 114.60 2jo0 s VAL 47 Ca 0.24 0.16 -0.13 0.00 0.00 0.00 0.00 61.98 62.25 2jo0 s VAL 47 Cb -0.01 -0.23 0.08 0.00 0.00 0.00 0.00 36.38 36.22 2jo0 s VAL 47 CO 0.03 0.06 1.77 1.56 0.00 0.00 0.00 175.10 178.52 2jo0 h GLN 48 N 7.06 0.42 0.00 2.72 4.20 -1.87 -2.44 115.11 125.20 2jo0 h GLN 48 Ca -0.41 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.28 2jo0 h GLN 48 Cb 1.15 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2jo0 h GLN 48 CO 0.43 0.28 0.12 -1.71 -0.67 0.00 0.00 178.83 177.27 2jo0 n ASN 49 N -4.94 0.00 -4.84 1.46 5.15 -1.25 -4.75 115.26 106.09 2jo0 n ASN 49 Ca 0.05 0.33 -0.30 0.00 -0.60 0.00 0.00 54.58 54.05 2jo0 n ASN 49 Cb 0.17 -0.33 0.07 0.00 -0.53 0.00 0.00 39.78 39.16 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 -2.62 2.51 0.31 5.20 0.00 -0.92 -4.85 121.76 121.39 2jo0 s ALA 50 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 51.96 51.76 2jo0 s ALA 50 Cb 0.00 -3.07 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2jo0 s ALA 50 CO 0.00 -1.50 0.11 0.54 0.00 0.00 0.00 175.76 174.91 2jo0 s ASN 51 N -4.11 4.75 0.51 0.00 4.22 -1.26 -4.95 114.94 114.10 2jo0 s ASN 51 Ca 0.60 -0.67 0.16 0.00 -2.14 0.00 0.00 52.86 50.80 2jo0 s ASN 51 Cb -0.13 -0.84 1.24 0.00 1.28 0.00 0.00 41.25 42.81 2jo0 s ASN 51 CO 0.53 -0.19 2.13 1.55 -2.04 0.00 0.00 177.10 179.08 2jo0 h PRO 52 N 1.62 0.05 0.00 3.55 0.13 -1.99 -2.43 132.00 132.93 2jo0 h PRO 52 Ca -0.44 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2jo0 h PRO 52 Cb 1.25 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2jo0 h PRO 52 CO 0.62 0.03 0.00 -0.40 -0.23 0.00 0.00 178.00 178.02 2jo0 n ASP 53 N -4.52 0.00 -0.27 1.44 5.75 -1.26 -2.11 116.55 115.57 2jo0 n ASP 53 Ca -0.02 0.53 0.04 0.00 -0.01 0.00 0.00 54.79 55.33 2jo0 n ASP 53 Cb 0.12 -0.03 0.17 0.00 -1.03 0.00 0.00 41.12 40.36 2jo0 n ASP 53 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2jo0 h LYS 55 N 0.65 0.11 0.00 0.00 1.57 -1.56 0.14 116.57 117.48 2jo0 h LYS 55 Ca 0.40 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 2jo0 h LYS 55 Cb 0.47 -0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2jo0 h LYS 55 CO -0.30 0.07 -0.03 1.15 -0.57 0.00 0.00 179.45 179.78 2jo0 h THR 56 N 0.12 0.00 0.09 -0.16 2.02 -0.52 -2.85 112.91 111.61 2jo0 h THR 56 Ca 0.25 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.81 2jo0 h THR 56 Cb 0.38 1.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 2jo0 h THR 56 CO -0.42 0.00 -0.04 0.40 0.37 0.00 0.00 175.52 175.83 2jo0 h ILE 57 N 0.00 0.00 -0.08 3.11 2.04 0.04 -3.33 117.51 119.29 2jo0 h ILE 57 Ca 0.00 -0.84 0.02 0.00 1.00 0.00 0.00 64.86 65.04 2jo0 h ILE 57 Cb 0.81 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.88 2jo0 h ILE 57 CO 0.00 0.00 0.07 -0.07 0.00 0.00 0.00 178.15 178.15 2jo0 h LEU 58 N -0.97 0.00 -1.95 1.44 4.07 -1.14 0.10 115.31 116.85 2jo0 h LEU 58 Ca -0.01 0.00 0.37 0.00 0.08 0.00 0.00 57.88 58.31 2jo0 h LEU 58 Cb 0.10 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 41.78 2jo0 h LEU 58 CO 0.02 0.00 0.91 0.11 -1.08 0.00 0.00 178.44 178.40 2jo0 h LYS 59 N 0.00 0.02 0.00 1.13 1.79 -1.61 -0.37 116.57 117.54 2jo0 h LYS 59 Ca 0.04 -0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.32 2jo0 h LYS 59 Cb 0.18 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.79 2jo0 h LYS 59 CO -0.00 0.01 -2.03 0.00 -1.08 0.00 0.00 179.45 176.35 2jo0 n ALA 60 N -2.77 2.01 -2.47 3.86 0.00 0.14 -4.76 120.51 116.53 2jo0 n ALA 60 Ca 0.28 -0.85 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 2jo0 n ALA 60 Cb 1.32 -0.31 0.02 0.00 0.00 0.00 0.00 19.45 20.48 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 -2.43 7.41 -3.45 0.00 7.94 -0.02 -4.76 117.00 121.69 2jo0 n LEU 61 Ca -0.18 -5.26 -0.35 0.00 -1.11 0.00 0.00 56.01 49.12 2jo0 n LEU 61 Cb 0.83 -1.15 -0.02 0.00 0.53 0.00 0.00 43.42 43.61 2jo0 n LEU 61 CO 0.37 1.98 0.76 0.61 -1.11 0.00 0.00 177.39 179.99 2jo0 n GLY 62 N -0.17 5.59 1.64 -3.96 0.00 -1.02 -4.44 105.19 102.83 2jo0 n GLY 62 Ca 0.49 -2.70 -0.01 0.00 0.00 0.00 0.00 46.02 43.80 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 0.27 0.93 0.00 1.61 -0.04 -1.26 -4.81 135.00 131.70 2jo0 n PRO 63 Ca 0.35 -0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2jo0 n PRO 63 Cb 0.34 -1.17 0.00 0.00 -0.04 0.00 0.00 33.50 32.63 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 1.69 0.00 0.10 0.55 0.00 -1.26 -4.36 120.51 117.23 2jo0 n ALA 64 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2jo0 n ALA 64 Cb 0.46 -0.21 0.00 0.00 0.00 0.00 0.00 19.45 19.70 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 0.71 3.00 0.34 0.00 0.00 -1.26 -4.85 120.51 118.45 2jo0 n ALA 65 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 2jo0 n ALA 65 Cb 0.00 0.09 0.95 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.83 0.00 2.02 -1.93 -1.27 112.91 110.90 2jo0 h THR 66 Ca 0.00 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.39 2jo0 h THR 66 Cb 0.06 0.78 -0.14 0.00 -1.74 0.00 0.00 68.15 67.10 2jo0 h THR 66 CO 0.00 0.00 0.11 0.25 0.37 0.00 0.00 175.52 176.25 2jo0 h LEU 67 N 0.00 -0.20 -1.38 2.58 6.46 -1.89 -2.60 115.31 118.29 2jo0 h LEU 67 Ca 0.00 0.20 0.29 0.00 -0.12 0.00 0.00 57.88 58.25 2jo0 h LEU 67 Cb 0.44 0.32 -0.10 0.00 -0.73 0.00 0.00 40.66 40.59 2jo0 h LEU 67 CO 0.00 -0.18 0.69 -0.33 -0.62 0.00 0.00 178.44 178.00 2jo0 h GLU 68 N 0.15 0.34 0.16 1.25 5.08 -1.59 0.40 114.58 120.37 2jo0 h GLU 68 Ca 0.49 -0.02 -0.30 0.00 -1.00 0.00 0.00 59.36 58.53 2jo0 h GLU 68 Cb 0.94 -0.08 0.02 0.00 0.50 0.00 0.00 28.75 30.14 2jo0 h GLU 68 CO -0.68 0.22 -1.30 1.05 -1.00 0.00 0.00 179.01 177.31 2jo0 h GLU 69 N 0.35 0.46 -0.05 2.33 -0.00 -1.71 -3.37 114.58 112.59 2jo0 h GLU 69 Ca 0.62 -0.70 -0.12 0.00 -0.00 0.00 0.00 59.36 59.16 2jo0 h GLU 69 Cb 1.64 0.25 -0.01 0.00 -0.00 0.00 0.00 28.75 30.63 2jo0 h GLU 69 CO -0.31 1.32 -0.51 0.52 -0.00 0.00 0.00 179.01 180.03 2jo0 h MET 70 N 0.16 0.14 -0.20 1.06 2.86 -0.15 0.14 114.93 118.95 2jo0 h MET 70 Ca -0.18 -0.08 0.04 0.00 -2.06 0.00 0.00 59.70 57.41 2jo0 h MET 70 Cb 1.99 0.01 -0.04 0.00 0.06 0.00 0.00 31.60 33.62 2jo0 h MET 70 CO 0.23 0.62 -0.04 1.98 1.06 0.00 0.00 176.91 180.77 2jo0 h MET 71 N 0.11 0.01 -0.09 1.72 1.85 -1.06 -3.10 114.93 114.36 2jo0 h MET 71 Ca 0.00 -0.00 -0.12 0.00 -0.61 0.00 0.00 59.70 58.97 2jo0 h MET 71 Cb 0.94 -0.00 0.00 0.00 0.43 0.00 0.00 31.60 32.98 2jo0 h MET 71 CO 0.07 0.01 -0.40 1.79 -0.40 0.00 0.00 176.91 177.98 2jo0 h THR 72 N 0.01 1.39 -0.97 -0.77 1.35 -1.61 -3.37 112.91 108.94 2jo0 h THR 72 Ca 0.10 -1.75 0.25 0.00 -0.55 0.00 0.00 66.41 64.45 2jo0 h THR 72 Cb 0.14 2.22 -0.07 0.00 -1.73 0.00 0.00 68.15 68.71 2jo0 h THR 72 CO -0.19 0.52 0.65 0.00 -0.25 0.00 0.00 175.52 176.25 2jo0 h ALA 73 N 0.47 2.41 -0.62 6.62 0.00 -0.65 -0.07 119.26 127.42 2jo0 h ALA 73 Ca -0.02 0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.08 2jo0 h ALA 73 Cb 1.04 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.83 2jo0 h ALA 73 CO 0.08 -0.73 0.77 0.00 0.00 0.00 0.00 179.25 179.37 2jo0 h GLN 75 N 0.00 0.00 0.00 0.00 3.07 -1.28 -3.39 115.11 113.51 2jo0 h GLN 75 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 58.65 59.03 2jo0 h GLN 75 Cb 1.83 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.39 2jo0 h GLN 75 CO -0.00 0.00 0.00 0.41 0.09 0.00 0.00 178.83 179.33 2jo0 n GLY 76 N -1.43 0.00 0.50 0.06 0.00 -0.56 -5.03 105.19 98.72 2jo0 n GLY 76 Ca 0.06 0.00 0.36 0.00 0.00 0.00 0.00 46.02 46.44 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 0.00 0.21 0.00 1.61 3.04 -0.84 -3.46 116.25 116.81 2jo0 h VAL 77 Ca 0.00 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.65 2jo0 h VAL 77 Cb 0.00 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 29.37 2jo0 h VAL 77 CO 0.00 0.02 0.00 0.61 -1.01 0.00 0.00 177.57 177.19 2jo0 n GLY 78 N -1.60 -1.35 3.73 3.17 0.00 -1.26 -5.10 105.19 102.78 2jo0 n GLY 78 Ca 0.35 -1.07 -0.42 0.00 0.00 0.00 0.00 46.02 44.87 2jo0 n GLY 78 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2jo0 s GLY 79 N 0.00 2.14 0.40 -0.02 0.00 -1.26 -4.94 107.32 103.64 2jo0 s GLY 79 Ca 0.00 1.15 0.28 0.00 0.00 0.00 0.00 44.72 46.16 2jo0 s GLY 79 CO 0.00 2.26 1.85 -0.56 0.00 0.00 0.00 173.10 176.65 2jo0 h PRO 80 N 6.14 0.00 0.00 2.90 0.13 -2.00 -3.46 132.00 135.71 2jo0 h PRO 80 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2jo0 h PRO 80 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2jo0 h PRO 80 CO 0.83 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.01 2jo0 n GLY 81 N -0.17 0.97 3.62 1.56 0.00 -1.26 -4.74 105.19 105.17 2jo0 n GLY 81 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.52 1.57 -3.68 1.61 1.44 -1.26 -5.01 115.22 108.36 2jo0 n HIS 82 Ca 0.00 0.65 -0.13 0.00 -2.01 0.00 0.00 57.72 56.23 2jo0 n HIS 82 Cb 0.00 -2.31 -0.09 0.00 0.12 0.00 0.00 29.99 27.72 2jo0 n HIS 82 CO 0.00 0.00 0.00 0.21 -2.81 0.00 0.00 176.34 173.74 2jo0 s LYS 83 N -1.40 0.62 0.53 -1.40 2.36 -1.26 -5.16 119.74 114.03 2jo0 s LYS 83 Ca 0.60 0.81 -0.21 0.00 -2.55 0.00 0.00 55.97 54.62 2jo0 s LYS 83 Cb -0.68 0.26 -0.06 0.00 -1.05 0.00 0.00 37.83 36.29 2jo0 s LYS 83 CO 0.59 -0.09 1.19 0.00 1.55 0.00 0.00 175.35 178.58 2jo0 n ALA 84 N 3.10 0.94 -0.61 3.13 0.00 -1.26 -4.86 120.51 120.96 2jo0 n ALA 84 Ca -0.15 0.12 -0.06 0.00 0.00 0.00 0.00 53.44 53.35 2jo0 n ALA 84 Cb 0.56 -2.24 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 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 -0.76 1.22 -4.18 0.00 0.00 -1.26 -4.75 116.66 106.93 2jo0 n ARG 85 Ca 0.11 -0.49 -0.17 0.00 -0.00 0.00 0.00 57.85 57.30 2jo0 n ARG 85 Cb 0.44 -1.62 -0.06 0.00 0.00 0.00 0.00 32.46 31.22 2jo0 n ARG 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2jo0 s VAL 86 N 1.21 0.00 -1.40 5.15 0.11 -1.26 -5.39 120.40 118.83 2jo0 s VAL 86 Ca 0.33 -1.79 0.00 0.00 -2.93 0.00 0.00 61.98 57.59 2jo0 s VAL 86 Cb 0.16 -2.58 0.00 0.00 -1.53 0.00 0.00 36.38 32.43 2jo0 s VAL 86 CO 0.00 0.00 0.35 0.00 -3.33 0.00 0.00 175.10 172.12