#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 1.37 -3.63 7.83 7.64 -1.26 -5.08 113.62 120.49 2jo0 n SER 2 Ca 0.00 -2.94 -0.41 0.00 1.01 0.00 0.00 58.87 56.53 2jo0 n SER 2 Cb 0.00 -0.58 -0.01 0.00 -1.01 0.00 0.00 64.21 62.61 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 0.09 2.77 -0.07 1.43 -0.04 -1.26 -4.38 135.00 133.54 2jo0 n PRO 3 Ca 0.19 -2.39 -0.22 0.00 -0.04 0.00 0.00 63.50 61.04 2jo0 n PRO 3 Cb 0.71 -3.13 -0.12 0.00 -0.04 0.00 0.00 33.50 30.92 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 4.96 1.62 -3.19 0.52 -2.24 -1.26 -4.75 114.28 109.94 2jo0 n THR 4 Ca 0.56 -0.31 -0.34 0.00 -2.27 0.00 0.00 64.05 61.69 2jo0 n THR 4 Cb 0.36 -1.89 -0.06 0.00 -2.10 0.00 0.00 70.33 66.64 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 -6.97 6.84 0.38 3.42 1.04 -1.26 -3.94 113.70 113.21 2jo0 s SER 5 Ca -0.28 1.25 0.19 0.00 0.48 0.00 0.00 55.95 57.59 2jo0 s SER 5 Cb 0.07 -2.36 0.72 0.00 0.10 0.00 0.00 66.02 64.55 2jo0 s SER 5 CO 0.65 -0.08 1.75 0.16 0.98 0.00 0.00 173.24 176.70 2jo0 h ILE 6 N 2.30 0.86 0.00 -1.02 -0.00 -1.90 -3.27 117.51 114.48 2jo0 h ILE 6 Ca -0.48 -1.46 0.00 0.00 -0.00 0.00 0.00 64.86 62.92 2jo0 h ILE 6 Cb 1.18 1.89 0.00 0.00 -0.00 0.00 0.00 36.82 39.90 2jo0 h ILE 6 CO 0.66 0.35 0.20 0.00 -0.00 0.00 0.00 178.15 179.36 2jo0 n LEU 7 N -3.54 0.00 0.02 0.16 -0.00 -1.26 -0.44 117.00 111.95 2jo0 n LEU 7 Ca -0.00 0.17 0.11 0.00 -0.00 0.00 0.00 56.01 56.29 2jo0 n LEU 7 Cb 0.49 -0.17 -0.04 0.00 -0.00 0.00 0.00 43.42 43.70 2jo0 n LEU 7 CO 0.36 -0.17 -0.17 -0.67 -0.00 0.00 0.00 177.39 176.74 2jo0 n ASP 8 N -1.10 0.54 -0.10 1.45 2.03 -1.23 -4.17 116.55 113.97 2jo0 n ASP 8 Ca 0.00 -0.21 0.08 0.00 0.52 0.00 0.00 54.79 55.18 2jo0 n ASP 8 Cb 0.20 1.06 0.11 0.00 -0.72 0.00 0.00 41.12 41.77 2jo0 n ASP 8 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2jo0 n ILE 9 N -2.04 1.58 -1.38 5.18 -5.35 0.42 -4.49 119.36 113.28 2jo0 n ILE 9 Ca 0.01 -1.87 -0.39 0.00 -0.27 0.00 0.00 62.75 60.23 2jo0 n ILE 9 Cb 0.46 -0.06 -0.02 0.00 -1.74 0.00 0.00 39.64 38.28 2jo0 n ILE 9 CO 0.00 0.00 0.00 -2.11 -1.76 0.00 0.00 176.55 172.68 2jo0 n ARG 10 N -1.17 2.76 -0.33 6.28 -4.01 -1.16 -4.75 116.66 114.28 2jo0 n ARG 10 Ca 0.12 -2.20 0.24 0.00 -1.04 0.00 0.00 57.85 54.97 2jo0 n ARG 10 Cb 0.59 -2.97 0.45 0.00 -3.04 0.00 0.00 32.46 27.49 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 5.28 -0.07 0.00 2.89 7.27 -1.26 -4.79 117.38 126.70 2jo0 n GLN 11 Ca 0.58 1.43 0.00 0.00 0.07 0.00 0.00 57.00 59.08 2jo0 n GLN 11 Cb 0.31 -2.42 0.00 0.00 2.41 0.00 0.00 30.24 30.54 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 -1.37 0.21 1.25 1.69 0.00 -1.26 -5.05 105.19 100.67 2jo0 n GLY 12 Ca 0.31 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.72 0.00 1.61 -0.04 -1.26 -4.56 135.00 131.46 2jo0 n PRO 13 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 2jo0 n PRO 13 Cb 0.00 -1.14 0.00 0.00 -0.04 0.00 0.00 33.50 32.32 2jo0 n PRO 13 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 2jo0 n LYS 14 N 1.04 0.00 0.00 0.54 -0.00 -1.26 -3.93 118.16 114.55 2jo0 n LYS 14 Ca 0.00 0.26 0.00 0.00 -0.00 0.00 0.00 58.31 58.57 2jo0 n LYS 14 Cb 0.36 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.81 2jo0 n LYS 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.40 175.49 2jo0 n GLU 15 N -1.22 0.00 -1.33 -1.58 2.13 -1.26 -5.02 120.64 112.35 2jo0 n GLU 15 Ca 0.00 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.51 2jo0 n GLU 15 Cb 0.08 -0.34 0.09 0.00 0.27 0.00 0.00 31.44 31.54 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 -1.23 2.27 0.00 5.31 0.04 -1.25 -4.91 135.00 135.23 2jo0 s PRO 16 Ca 0.00 1.06 0.00 0.00 0.04 0.00 0.00 61.00 62.10 2jo0 s PRO 16 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2jo0 s PRO 16 CO 0.00 -1.60 0.00 1.19 0.04 0.00 0.00 177.00 176.63 2jo0 n PHE 17 N -3.48 0.00 0.15 0.56 3.01 -1.26 -4.79 117.46 111.64 2jo0 n PHE 17 Ca 0.08 0.00 0.14 0.00 1.01 0.00 0.00 57.45 58.68 2jo0 n PHE 17 Cb 0.54 0.00 0.67 0.00 -0.01 0.00 0.00 39.48 40.67 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 0.00 0.00 -1.08 -0.00 -1.95 0.26 114.38 111.61 2jo0 h ARG 18 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.98 2jo0 h ARG 18 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 29.97 2jo0 h ARG 18 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 179.72 2jo0 n ASP 19 N -4.45 0.39 0.00 0.08 8.00 -1.26 -2.39 116.55 116.93 2jo0 n ASP 19 Ca 0.03 0.68 0.00 0.00 0.71 0.00 0.00 54.79 56.20 2jo0 n ASP 19 Cb 0.32 -0.73 0.00 0.00 -0.02 0.00 0.00 41.12 40.69 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 -2.02 0.00 -0.27 1.24 9.36 -0.45 -4.90 117.16 120.11 2jo0 n TYR 20 Ca -0.01 0.00 0.06 0.00 3.32 0.00 0.00 57.90 61.27 2jo0 n TYR 20 Cb 0.04 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 38.94 2jo0 n TYR 20 CO 0.00 0.00 0.00 -0.24 0.22 0.00 0.00 176.86 176.84 2jo0 h VAL 21 N 0.00 0.72 -0.06 2.97 3.04 -0.16 0.66 116.25 123.41 2jo0 h VAL 21 Ca 0.00 -0.19 0.03 0.00 -1.01 0.00 0.00 66.70 65.53 2jo0 h VAL 21 Cb 0.00 0.12 -0.03 0.00 -2.01 0.00 0.00 31.29 29.37 2jo0 h VAL 21 CO 0.00 0.10 -0.10 0.44 -1.01 0.00 0.00 177.57 177.00 2jo0 h ASP 22 N 0.55 -0.31 -0.58 3.17 5.19 -1.80 -1.23 116.42 121.41 2jo0 h ASP 22 Ca 0.43 0.06 -0.08 0.00 -0.62 0.00 0.00 57.03 56.82 2jo0 h ASP 22 Cb 0.60 0.14 -0.03 0.00 0.18 0.00 0.00 39.33 40.23 2jo0 h ASP 22 CO -0.37 -0.14 0.08 0.03 -3.12 0.00 0.00 179.24 175.72 2jo0 h ARG 23 N -0.14 1.00 0.47 3.56 2.47 -1.63 0.14 114.38 120.25 2jo0 h ARG 23 Ca 0.06 -0.26 -0.02 0.00 -1.26 0.00 0.00 59.98 58.49 2jo0 h ARG 23 Cb 0.23 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 2jo0 h ARG 23 CO -0.15 0.94 -0.23 0.35 0.56 0.00 0.00 179.97 181.44 2jo0 h PHE 24 N 0.94 -0.58 -0.09 3.04 3.04 -0.65 -3.23 116.94 119.41 2jo0 h PHE 24 Ca 0.19 -0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.06 2jo0 h PHE 24 Cb 0.43 0.19 -0.01 0.00 2.56 0.00 0.00 35.95 39.13 2jo0 h PHE 24 CO 0.03 -0.27 -0.23 1.88 -2.02 0.00 0.00 178.31 177.70 2jo0 h TYR 25 N -0.85 0.16 0.00 0.41 -1.99 -1.16 -0.09 116.97 113.44 2jo0 h TYR 25 Ca -0.06 -0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.64 2jo0 h TYR 25 Cb 0.57 -0.04 0.00 0.00 2.00 0.00 0.00 36.73 39.26 2jo0 h TYR 25 CO -0.00 0.37 0.36 -0.22 -0.00 0.00 0.00 178.16 178.67 2jo0 h LYS 26 N 0.14 0.00 0.00 4.88 3.11 -0.98 -1.76 116.57 121.96 2jo0 h LYS 26 Ca 0.02 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 2jo0 h LYS 26 Cb 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.71 2jo0 h LYS 26 CO 0.03 0.00 -0.62 2.41 -2.81 0.00 0.00 179.45 178.46 2jo0 n THR 27 N -2.26 0.33 -0.31 1.00 -1.04 -0.87 -4.82 114.28 106.31 2jo0 n THR 27 Ca -0.01 0.11 0.15 0.00 -2.04 0.00 0.00 64.05 62.26 2jo0 n THR 27 Cb 0.38 -1.41 0.32 0.00 -1.82 0.00 0.00 70.33 67.80 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 -0.02 -0.87 -4.42 7.12 -0.99 -2.37 115.31 113.76 2jo0 h LEU 28 Ca 0.00 0.21 0.00 0.00 0.13 0.00 0.00 57.88 58.22 2jo0 h LEU 28 Cb 0.62 0.29 0.00 0.00 -0.53 0.00 0.00 40.66 41.05 2jo0 h LEU 28 CO 0.00 -0.21 0.00 -2.11 -0.13 0.00 0.00 178.44 175.99 2jo0 n ARG 29 N -5.26 0.44 -0.00 1.25 -4.01 -0.67 -1.07 116.66 107.34 2jo0 n ARG 29 Ca 0.23 0.00 0.01 0.00 -1.04 0.00 0.00 57.85 57.06 2jo0 n ARG 29 Cb 0.76 -1.19 -0.01 0.00 -3.04 0.00 0.00 32.46 28.97 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 0.18 2.26 0.00 2.89 0.00 -0.89 -4.42 120.51 120.53 2jo0 n ALA 30 Ca 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 53.44 53.37 2jo0 n ALA 30 Cb 0.10 -0.08 -0.00 0.00 0.00 0.00 0.00 19.45 19.46 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 -1.17 0.06 0.20 0.00 -0.58 -0.24 -4.72 120.64 114.19 2jo0 n GLU 31 Ca 0.00 0.02 0.14 0.00 -0.42 0.00 0.00 57.16 56.90 2jo0 n GLU 31 Cb 0.04 -0.38 0.43 0.00 -0.57 0.00 0.00 31.44 30.96 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.96 -0.48 0.00 0.00 177.13 178.61 2jo0 h GLN 32 N -0.11 0.00 0.00 3.49 1.08 -1.85 -3.47 115.11 114.25 2jo0 h GLN 32 Ca 0.00 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 2jo0 h GLN 32 Cb 0.11 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.54 2jo0 h GLN 32 CO 0.00 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.88 2jo0 n ALA 33 N -1.98 0.00 0.00 3.87 0.00 -1.20 -4.89 120.51 116.30 2jo0 n ALA 33 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jo0 n ALA 33 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.84 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 0.00 -4.03 0.00 7.64 -1.26 -4.27 113.62 111.69 2jo0 n SER 34 Ca 0.00 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.55 2jo0 n SER 34 Cb 0.00 0.00 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 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 0.00 -2.22 -3.86 1.43 7.27 -1.26 -4.91 117.38 113.82 2jo0 n GLN 35 Ca 0.00 0.26 -0.10 0.00 0.07 0.00 0.00 57.00 57.23 2jo0 n GLN 35 Cb 0.00 -4.91 -0.06 0.00 2.41 0.00 0.00 30.24 27.69 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 -6.71 1.24 0.50 3.69 2.12 -1.26 -5.03 118.70 113.26 2jo0 s GLU 36 Ca 0.65 -1.04 0.31 0.00 0.36 0.00 0.00 54.97 55.26 2jo0 s GLU 36 Cb -0.37 0.44 1.42 0.00 0.26 0.00 0.00 34.13 35.88 2jo0 s GLU 36 CO 0.80 -0.49 1.80 0.28 -0.54 0.00 0.00 175.26 177.11 2jo0 h VAL 37 N 2.41 0.44 0.00 3.70 2.07 -1.98 -1.45 116.25 121.43 2jo0 h VAL 37 Ca -0.30 -0.04 0.00 0.00 0.82 0.00 0.00 66.70 67.18 2jo0 h VAL 37 Cb 1.24 0.32 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 2jo0 h VAL 37 CO 0.44 0.02 0.03 0.29 0.02 0.00 0.00 177.57 178.37 2jo0 n LYS 38 N -4.32 0.13 -1.62 1.57 4.76 -1.26 -4.77 118.16 112.64 2jo0 n LYS 38 Ca 0.25 0.62 -0.48 0.00 -2.87 0.00 0.00 58.31 55.84 2jo0 n LYS 38 Cb 1.14 -1.96 -0.05 0.00 -1.84 0.00 0.00 35.03 32.32 2jo0 n LYS 38 CO 0.00 0.00 0.00 -1.71 -1.37 0.00 0.00 177.40 174.32 2jo0 n ASN 39 N -2.20 3.22 -1.19 4.39 5.15 -0.55 -4.90 115.26 119.18 2jo0 n ASN 39 Ca -0.01 0.73 0.00 0.00 -0.60 0.00 0.00 54.58 54.70 2jo0 n ASN 39 Cb 0.06 -1.39 0.00 0.00 -0.53 0.00 0.00 39.78 37.92 2jo0 n ASN 39 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2jo0 n ALA 40 N 8.19 -0.24 -2.80 5.20 0.00 -1.26 -4.89 120.51 124.71 2jo0 n ALA 40 Ca 0.27 -0.07 -0.19 0.00 0.00 0.00 0.00 53.44 53.45 2jo0 n ALA 40 Cb 0.32 0.03 0.01 0.00 0.00 0.00 0.00 19.45 19.80 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 -0.06 -3.12 -3.84 0.00 2.81 -1.26 -4.94 117.12 106.71 2jo0 n MET 41 Ca 0.00 0.74 -0.16 0.00 -1.81 0.00 0.00 57.70 56.47 2jo0 n MET 41 Cb 0.04 -5.45 -0.06 0.00 -0.71 0.00 0.00 33.22 27.05 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 -3.94 0.00 0.04 2.03 -2.24 -1.26 -5.01 114.28 103.90 2jo0 n THR 42 Ca -0.13 -1.95 0.02 0.00 -2.27 0.00 0.00 64.05 59.72 2jo0 n THR 42 Cb 0.61 1.01 0.09 0.00 -2.10 0.00 0.00 70.33 69.94 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 -0.53 0.02 -1.35 -0.78 0.00 -1.26 -4.83 120.64 111.91 2jo0 n GLU 43 Ca 0.05 0.51 -0.41 0.00 0.00 0.00 0.00 57.16 57.31 2jo0 n GLU 43 Cb 0.51 -1.56 0.00 0.00 0.00 0.00 0.00 31.44 30.40 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 -1.60 1.01 -1.70 3.84 5.66 -1.26 -4.98 114.28 115.25 2jo0 n THR 44 Ca -0.00 -0.50 0.00 0.00 -3.05 0.00 0.00 64.05 60.50 2jo0 n THR 44 Cb 0.01 -0.20 0.00 0.00 -1.55 0.00 0.00 70.33 68.59 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 1.92 0.00 -3.61 1.09 -0.00 -1.26 -4.95 117.00 110.19 2jo0 n LEU 45 Ca 0.11 -0.57 -0.01 0.00 -0.00 0.00 0.00 56.01 55.54 2jo0 n LEU 45 Cb 0.41 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.82 2jo0 n LEU 45 CO 0.54 0.39 1.12 -1.48 -0.00 0.00 0.00 177.39 177.96 2jo0 s LEU 46 N 0.00 -0.05 -0.02 1.47 0.05 -1.26 -4.85 118.68 114.01 2jo0 s LEU 46 Ca 0.00 -0.03 -0.03 0.00 0.05 0.00 0.00 54.13 54.12 2jo0 s LEU 46 Cb 0.00 1.20 0.00 0.00 -2.05 0.00 0.00 46.19 45.34 2jo0 s LEU 46 CO 0.00 -0.13 0.07 -0.69 -0.55 0.00 0.00 176.35 175.05 2jo0 s VAL 47 N -2.22 0.02 0.47 1.48 1.01 -1.18 -4.96 120.40 115.02 2jo0 s VAL 47 Ca 0.12 -0.14 0.27 0.00 0.00 0.00 0.00 61.98 62.23 2jo0 s VAL 47 Cb 0.02 -0.15 0.31 0.00 0.00 0.00 0.00 36.38 36.55 2jo0 s VAL 47 CO -0.04 -0.08 2.12 1.56 0.00 0.00 0.00 175.10 178.66 2jo0 h GLN 48 N 5.75 0.00 -0.33 2.72 4.20 -1.92 -2.59 115.11 122.95 2jo0 h GLN 48 Ca -0.26 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.45 2jo0 h GLN 48 Cb 1.20 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.98 2jo0 h GLN 48 CO 0.45 0.09 0.00 0.27 -0.67 0.00 0.00 178.83 178.97 2jo0 n ASN 49 N -3.74 0.33 -4.54 1.46 0.23 -1.26 -4.91 115.26 102.83 2jo0 n ASN 49 Ca -0.02 -1.63 -0.38 0.00 -0.53 0.00 0.00 54.58 52.02 2jo0 n ASN 49 Cb 0.19 -0.17 0.04 0.00 -2.08 0.00 0.00 39.78 37.77 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2jo0 n ALA 50 N -0.26 -0.54 -3.00 -2.53 0.00 -0.98 -4.72 120.51 108.49 2jo0 n ALA 50 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2jo0 n ALA 50 Cb 0.08 -1.96 0.00 0.00 0.00 0.00 0.00 19.45 17.58 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 -0.11 0.00 0.12 0.00 6.94 -1.26 -5.02 115.26 115.93 2jo0 n ASN 51 Ca 0.13 -0.39 -0.01 0.00 -0.02 0.00 0.00 54.58 54.29 2jo0 n ASN 51 Cb 0.47 0.00 0.25 0.00 -2.36 0.00 0.00 39.78 38.14 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 0.17 0.22 -0.53 0.13 -1.94 -3.34 132.00 126.71 2jo0 h PRO 52 Ca 0.00 -0.08 -0.01 0.00 -0.87 0.00 0.00 66.00 65.04 2jo0 h PRO 52 Cb 0.00 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jo0 h PRO 52 CO 0.00 0.56 -0.10 0.22 -0.23 0.00 0.00 178.00 178.45 2jo0 h ASP 53 N 0.15 -0.25 -0.49 1.44 3.58 -1.97 -0.88 116.42 118.01 2jo0 h ASP 53 Ca 0.01 0.01 0.09 0.00 0.42 0.00 0.00 57.03 57.56 2jo0 h ASP 53 Cb 0.80 0.06 -0.10 0.00 1.72 0.00 0.00 39.33 41.81 2jo0 h ASP 53 CO 0.06 -0.17 -0.34 0.00 -2.88 0.00 0.00 179.24 175.92 2jo0 h LYS 55 N -0.21 -0.29 -0.43 0.00 1.57 -1.68 0.11 116.57 115.63 2jo0 h LYS 55 Ca 0.20 0.02 0.13 0.00 -1.87 0.00 0.00 60.65 59.12 2jo0 h LYS 55 Cb 0.55 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.90 2jo0 h LYS 55 CO -0.61 -0.19 0.41 1.15 -0.57 0.00 0.00 179.45 179.64 2jo0 h THR 56 N -0.30 0.48 0.00 -0.16 2.02 -0.30 -2.97 112.91 111.68 2jo0 h THR 56 Ca 0.14 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.32 2jo0 h THR 56 Cb 0.54 0.69 0.00 0.00 -1.74 0.00 0.00 68.15 67.64 2jo0 h THR 56 CO -0.48 0.00 -0.14 -0.38 0.37 0.00 0.00 175.52 174.89 2jo0 n ILE 57 N -3.91 0.24 0.31 3.11 5.41 -0.14 -4.50 119.36 119.89 2jo0 n ILE 57 Ca 0.08 0.45 0.21 0.00 1.00 0.00 0.00 62.75 64.48 2jo0 n ILE 57 Cb 0.60 -1.64 1.11 0.00 -0.71 0.00 0.00 39.64 39.00 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 -0.16 0.00 -2.09 1.39 4.07 -0.98 0.91 115.31 118.45 2jo0 h LEU 58 Ca 0.00 0.00 0.05 0.00 0.08 0.00 0.00 57.88 58.01 2jo0 h LEU 58 Cb 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 2jo0 h LEU 58 CO 0.00 0.00 0.14 0.11 -1.08 0.00 0.00 178.44 177.61 2jo0 h LYS 59 N 0.00 0.00 -0.02 1.13 6.56 -1.71 -1.97 116.57 120.57 2jo0 h LYS 59 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 2jo0 h LYS 59 Cb 0.03 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.69 2jo0 h LYS 59 CO 0.00 0.00 -0.11 0.00 -2.06 0.00 0.00 179.45 177.28 2jo0 n ALA 60 N -2.51 2.70 -2.97 3.86 0.00 0.23 -4.77 120.51 117.05 2jo0 n ALA 60 Ca 0.01 -0.60 -0.20 0.00 0.00 0.00 0.00 53.44 52.66 2jo0 n ALA 60 Cb 0.27 -0.55 -0.02 0.00 0.00 0.00 0.00 19.45 19.15 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 0.57 2.26 -2.54 0.00 0.00 -0.69 -4.90 117.00 111.69 2jo0 n LEU 61 Ca 0.09 -4.99 -0.30 0.00 0.00 0.00 0.00 56.01 50.81 2jo0 n LEU 61 Cb 0.38 0.23 0.01 0.00 0.00 0.00 0.00 43.42 44.04 2jo0 n LEU 61 CO 0.13 2.18 0.51 0.61 0.00 0.00 0.00 177.39 180.83 2jo0 n GLY 62 N 0.01 5.93 1.40 -3.96 0.00 -1.09 -4.47 105.19 103.02 2jo0 n GLY 62 Ca 0.25 -2.69 0.00 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.52 0.74 -0.67 1.61 -0.04 -1.26 -4.79 135.00 130.07 2jo0 n PRO 63 Ca 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 2jo0 n PRO 63 Cb 0.59 -1.13 0.00 0.00 -0.04 0.00 0.00 33.50 32.92 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 1.27 0.00 0.10 0.55 0.00 -1.26 -4.52 120.51 116.65 2jo0 n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2jo0 n ALA 64 Cb 0.37 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.79 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 0.77 3.00 0.31 0.00 0.00 -1.26 -4.91 120.51 118.43 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 0.30 0.04 0.84 0.00 0.00 0.00 0.00 19.45 20.63 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 0.04 -0.86 0.00 2.02 -1.91 -0.88 112.91 111.32 2jo0 h THR 66 Ca 0.00 0.00 0.19 0.00 0.77 0.00 0.00 66.41 67.37 2jo0 h THR 66 Cb 0.00 0.69 -0.11 0.00 -1.74 0.00 0.00 68.15 66.99 2jo0 h THR 66 CO 0.00 0.00 0.37 0.25 0.37 0.00 0.00 175.52 176.51 2jo0 h LEU 67 N 0.00 0.33 -1.52 2.58 6.46 -1.91 -2.53 115.31 118.72 2jo0 h LEU 67 Ca 0.02 0.14 0.39 0.00 -0.12 0.00 0.00 57.88 58.30 2jo0 h LEU 67 Cb 0.65 0.11 -0.10 0.00 -0.73 0.00 0.00 40.66 40.59 2jo0 h LEU 67 CO -0.00 0.05 0.85 -0.33 -0.62 0.00 0.00 178.44 178.39 2jo0 h GLU 68 N 0.44 0.15 0.00 1.25 5.08 -1.54 0.45 114.58 120.41 2jo0 h GLU 68 Ca 0.51 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.86 2jo0 h GLU 68 Cb 0.90 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.12 2jo0 h GLU 68 CO -0.48 0.10 -0.00 1.05 -1.00 0.00 0.00 179.01 178.68 2jo0 h GLU 69 N 0.15 -0.00 0.00 2.33 4.11 -1.69 -3.39 114.58 116.09 2jo0 h GLU 69 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.16 2jo0 h GLU 69 Cb 2.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.58 2jo0 h GLU 69 CO -0.30 0.93 0.00 0.52 0.07 0.00 0.00 179.01 180.23 2jo0 h MET 70 N -0.96 0.00 -0.99 1.06 2.86 -0.17 -1.18 114.93 115.56 2jo0 h MET 70 Ca -0.00 0.00 0.26 0.00 -2.06 0.00 0.00 59.70 57.90 2jo0 h MET 70 Cb 0.93 0.00 -0.18 0.00 0.06 0.00 0.00 31.60 32.41 2jo0 h MET 70 CO 0.00 0.00 -0.01 -0.12 1.06 0.00 0.00 176.91 177.84 2jo0 n MET 71 N -2.97 -0.08 0.00 1.72 0.00 0.11 -3.58 117.12 112.32 2jo0 n MET 71 Ca -0.01 1.48 0.00 0.00 0.00 0.00 0.00 57.70 59.18 2jo0 n MET 71 Cb 0.20 -2.34 0.00 0.00 0.00 0.00 0.00 33.22 31.08 2jo0 n MET 71 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 2jo0 n THR 72 N -5.49 0.00 -0.20 1.12 -1.04 -0.85 -3.08 114.28 104.74 2jo0 n THR 72 Ca 0.22 0.00 0.29 0.00 -2.04 0.00 0.00 64.05 62.52 2jo0 n THR 72 Cb 0.73 0.13 0.72 0.00 -1.82 0.00 0.00 70.33 70.09 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 2.87 0.00 2.41 0.00 -1.29 -1.17 119.26 122.07 2jo0 h ALA 73 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2jo0 h ALA 73 Cb 0.16 0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jo0 h ALA 73 CO 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 179.25 178.12 2jo0 h GLN 75 N 0.00 0.00 -0.08 0.00 -0.00 -1.49 -0.11 115.11 113.43 2jo0 h GLN 75 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2jo0 h GLN 75 Cb 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.72 2jo0 h GLN 75 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.24 2jo0 n GLY 76 N -1.24 3.63 2.66 0.06 0.00 -1.24 -4.72 105.19 104.33 2jo0 n GLY 76 Ca -0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.21 2jo0 n GLY 76 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jo0 s VAL 77 N -1.75 0.85 0.00 1.61 1.01 -0.05 -4.16 120.40 117.91 2jo0 s VAL 77 Ca 0.18 -1.83 0.00 0.00 0.00 0.00 0.00 61.98 60.33 2jo0 s VAL 77 Cb 0.14 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.90 2jo0 s VAL 77 CO 0.04 -0.82 0.00 0.61 0.00 0.00 0.00 175.10 174.93 2jo0 n GLY 78 N 4.25 1.94 3.34 4.51 0.00 -1.26 -4.70 105.19 113.27 2jo0 n GLY 78 Ca 0.04 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.12 0.61 0.00 -0.02 0.00 -1.26 -5.01 105.19 99.39 2jo0 n GLY 79 Ca 0.00 -1.10 0.06 0.00 0.00 0.00 0.00 46.02 44.99 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 -0.66 0.53 0.00 1.61 -0.04 -1.26 -4.12 135.00 131.06 2jo0 n PRO 80 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2jo0 n PRO 80 Cb 0.50 -1.39 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 0.05 -0.56 0.15 0.55 0.00 -1.26 -4.42 105.19 99.69 2jo0 n GLY 81 Ca 0.10 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.43 0.49 -2.69 1.61 1.44 -1.26 -1.52 115.22 112.86 2jo0 n HIS 82 Ca 0.00 0.25 -0.06 0.00 -2.01 0.00 0.00 57.72 55.90 2jo0 n HIS 82 Cb 0.02 -0.76 0.04 0.00 0.12 0.00 0.00 29.99 29.41 2jo0 n HIS 82 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2jo0 n LYS 83 N -2.05 1.82 -1.40 -1.40 4.76 -1.26 -5.12 118.16 113.50 2jo0 n LYS 83 Ca -0.01 -3.55 -0.55 0.00 -2.87 0.00 0.00 58.31 51.34 2jo0 n LYS 83 Cb 0.23 -1.60 -0.08 0.00 -1.84 0.00 0.00 35.03 31.75 2jo0 n LYS 83 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2jo0 n ALA 84 N -0.45 -1.52 -2.59 7.82 0.00 -0.58 -4.84 120.51 118.36 2jo0 n ALA 84 Ca 0.13 0.43 -0.43 0.00 0.00 0.00 0.00 53.44 53.57 2jo0 n ALA 84 Cb 0.82 -1.56 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 2jo0 n ALA 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2jo0 s ARG 85 N 1.98 3.66 1.36 0.00 6.06 -1.26 -5.04 118.95 125.71 2jo0 s ARG 85 Ca 0.84 0.45 -0.23 0.00 -2.50 0.00 0.00 55.73 54.30 2jo0 s ARG 85 Cb -1.20 -3.93 0.35 0.00 0.06 0.00 0.00 34.95 30.23 2jo0 s ARG 85 CO 0.64 -1.43 0.89 1.33 -2.50 0.00 0.00 175.30 174.23 2jo0 n VAL 86 N 6.77 0.00 0.00 7.11 0.24 -1.26 -5.29 118.33 125.90 2jo0 n VAL 86 Ca 0.11 -0.12 0.00 0.00 -2.04 0.00 0.00 64.34 62.28 2jo0 n VAL 86 Cb 0.49 -1.02 0.00 0.00 -1.47 0.00 0.00 33.84 31.84 2jo0 n VAL 86 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58