#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 0.28 -0.89 7.83 7.64 -1.26 -5.00 113.62 122.22 2jo0 n SER 2 Ca 0.00 -2.62 0.00 0.00 1.01 0.00 0.00 58.87 57.26 2jo0 n SER 2 Cb 0.00 -0.61 0.08 0.00 -1.01 0.00 0.00 64.21 62.67 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 2.10 1.71 -0.87 1.43 -0.04 -1.26 -5.00 135.00 133.06 2jo0 n PRO 3 Ca 0.26 -0.66 -0.32 0.00 -0.04 0.00 0.00 63.50 62.74 2jo0 n PRO 3 Cb 0.49 -1.58 0.14 0.00 -0.04 0.00 0.00 33.50 32.51 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 0.14 0.80 0.00 0.52 -2.24 -1.26 -5.05 114.28 107.19 2jo0 n THR 4 Ca 0.07 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 2jo0 n THR 4 Cb 0.51 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.74 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 -3.27 0.00 0.22 3.42 7.64 -1.26 -5.02 113.62 115.35 2jo0 n SER 5 Ca 0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.00 2jo0 n SER 5 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2jo0 n SER 5 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2jo0 n ILE 6 N 0.00 0.00 0.34 0.44 0.13 -1.26 -4.74 119.36 114.27 2jo0 n ILE 6 Ca 0.00 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.65 2jo0 n ILE 6 Cb 0.00 -0.02 0.00 0.00 -0.84 0.00 0.00 39.64 38.78 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2jo0 n LEU 7 N -3.40 1.49 0.00 9.51 -0.00 -1.26 -2.30 117.00 121.05 2jo0 n LEU 7 Ca 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 56.01 55.28 2jo0 n LEU 7 Cb 0.00 -0.27 0.00 0.00 -0.00 0.00 0.00 43.42 43.15 2jo0 n LEU 7 CO 0.00 0.26 0.00 -0.67 -0.00 0.00 0.00 177.39 176.98 2jo0 n ASP 8 N 0.93 0.00 -2.90 1.45 -0.08 -1.26 -5.14 116.55 109.55 2jo0 n ASP 8 Ca 0.00 -0.60 -0.16 0.00 -1.51 0.00 0.00 54.79 52.52 2jo0 n ASP 8 Cb 0.22 0.00 -0.06 0.00 2.34 0.00 0.00 41.12 43.62 2jo0 n ASP 8 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2jo0 n ILE 9 N 0.00 0.00 -1.66 5.18 -5.35 -0.97 -4.73 119.36 111.83 2jo0 n ILE 9 Ca 0.00 -1.84 -0.46 0.00 -0.27 0.00 0.00 62.75 60.18 2jo0 n ILE 9 Cb 0.15 0.83 -0.04 0.00 -1.74 0.00 0.00 39.64 38.85 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 -0.56 1.97 -2.02 6.28 -4.01 -1.26 -5.00 116.66 112.07 2jo0 n ARG 10 Ca 0.02 0.71 -0.32 0.00 -1.04 0.00 0.00 57.85 57.22 2jo0 n ARG 10 Cb 0.46 -2.41 0.01 0.00 -3.04 0.00 0.00 32.46 27.48 2jo0 n ARG 10 CO 0.00 0.00 0.00 -1.14 -3.04 0.00 0.00 177.63 173.45 2jo0 s GLN 11 N 0.32 3.39 0.00 2.89 -0.44 -1.26 -4.97 119.66 119.58 2jo0 s GLN 11 Ca 0.75 1.09 0.00 0.00 -2.50 0.00 0.00 55.36 54.70 2jo0 s GLN 11 Cb -0.70 -2.05 0.00 0.00 -1.64 0.00 0.00 33.01 28.62 2jo0 s GLN 11 CO 0.44 -0.75 0.00 0.41 0.50 0.00 0.00 175.29 175.89 2jo0 n GLY 12 N -1.35 -0.73 0.13 2.59 0.00 -1.26 -5.07 105.19 99.49 2jo0 n GLY 12 Ca 0.08 0.12 0.13 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.93 -3.40 132.00 128.41 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 0.26 1.57 -0.23 0.00 0.00 178.00 179.60 2jo0 h LYS 14 N 0.00 0.00 0.00 0.86 2.10 -1.92 -3.35 116.57 114.26 2jo0 h LYS 14 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2jo0 h LYS 14 Cb 0.74 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.07 2jo0 h LYS 14 CO 0.00 0.00 -0.05 0.39 -2.00 0.00 0.00 179.45 177.79 2jo0 n GLU 15 N -2.86 0.01 -1.13 0.07 1.02 -1.26 -4.06 120.64 112.43 2jo0 n GLU 15 Ca -0.02 0.00 -0.20 0.00 -0.02 0.00 0.00 57.16 56.92 2jo0 n GLU 15 Cb 0.30 -0.53 -0.02 0.00 -0.02 0.00 0.00 31.44 31.18 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 2jo0 n PRO 16 N -1.52 2.03 -0.29 3.49 -0.04 -1.26 -4.75 135.00 132.67 2jo0 n PRO 16 Ca 0.00 -1.76 -0.12 0.00 -0.04 0.00 0.00 63.50 61.58 2jo0 n PRO 16 Cb 0.03 -1.84 -0.10 0.00 -0.04 0.00 0.00 33.50 31.55 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 2.22 -1.78 -0.38 0.54 3.57 -1.93 0.79 116.94 119.97 2jo0 h PHE 17 Ca 0.31 0.11 -0.12 0.00 3.53 0.00 0.00 57.97 61.80 2jo0 h PHE 17 Cb 0.89 0.87 -0.01 0.00 2.79 0.00 0.00 35.95 40.49 2jo0 h PHE 17 CO 1.14 -0.43 -0.24 0.07 -2.23 0.00 0.00 178.31 176.63 2jo0 h ARG 18 N -0.18 0.76 0.07 1.11 -0.00 -1.90 -1.18 114.38 113.06 2jo0 h ARG 18 Ca 0.13 -0.31 -0.00 0.00 -0.00 0.00 0.00 59.98 59.79 2jo0 h ARG 18 Cb 0.50 -0.03 0.00 0.00 -0.00 0.00 0.00 29.97 30.44 2jo0 h ARG 18 CO -0.78 0.92 -0.04 0.22 -0.00 0.00 0.00 179.97 180.29 2jo0 h ASP 19 N 0.66 -0.09 -0.02 0.08 3.58 -1.54 -3.02 116.42 116.08 2jo0 h ASP 19 Ca 0.09 -0.39 -0.00 0.00 0.42 0.00 0.00 57.03 57.14 2jo0 h ASP 19 Cb 0.75 0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.82 2jo0 h ASP 19 CO 0.06 0.36 0.00 0.22 -2.88 0.00 0.00 179.24 177.00 2jo0 h TYR 20 N -0.56 0.03 -0.68 0.28 5.03 -1.01 -3.36 116.97 116.70 2jo0 h TYR 20 Ca -0.01 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.37 2jo0 h TYR 20 Cb 0.47 -0.01 -0.04 0.00 1.55 0.00 0.00 36.73 38.70 2jo0 h TYR 20 CO 0.07 0.31 0.45 -0.24 -1.32 0.00 0.00 178.16 177.43 2jo0 h VAL 21 N -0.26 0.99 -0.24 1.81 3.04 -1.15 -1.43 116.25 119.02 2jo0 h VAL 21 Ca 0.00 -0.23 0.04 0.00 -1.01 0.00 0.00 66.70 65.51 2jo0 h VAL 21 Cb 0.30 0.27 -0.04 0.00 -2.01 0.00 0.00 31.29 29.81 2jo0 h VAL 21 CO 0.00 0.12 -0.01 0.44 -1.01 0.00 0.00 177.57 177.12 2jo0 h ASP 22 N 0.66 -0.10 -0.94 3.17 3.32 -1.67 0.11 116.42 120.97 2jo0 h ASP 22 Ca 0.30 0.05 0.09 0.00 0.02 0.00 0.00 57.03 57.49 2jo0 h ASP 22 Cb 0.32 0.10 -0.07 0.00 0.22 0.00 0.00 39.33 39.90 2jo0 h ASP 22 CO -0.10 -0.02 0.58 0.03 -1.72 0.00 0.00 179.24 178.01 2jo0 h ARG 23 N 0.07 0.98 0.47 3.56 -0.00 -1.48 -1.79 114.38 116.19 2jo0 h ARG 23 Ca 0.11 -0.06 -0.02 0.00 -0.50 0.00 0.00 59.98 59.51 2jo0 h ARG 23 Cb 0.15 -0.22 0.00 0.00 0.00 0.00 0.00 29.97 29.90 2jo0 h ARG 23 CO -0.19 0.65 -0.23 0.35 0.00 0.00 0.00 179.97 180.55 2jo0 h PHE 24 N 1.01 -0.59 0.00 3.04 3.57 -0.77 -3.34 116.94 119.87 2jo0 h PHE 24 Ca 0.43 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.89 2jo0 h PHE 24 Cb 0.29 0.19 -0.00 0.00 2.79 0.00 0.00 35.95 39.22 2jo0 h PHE 24 CO -0.02 -0.37 -0.12 1.88 -2.23 0.00 0.00 178.31 177.45 2jo0 h TYR 25 N -0.78 0.00 -1.20 0.41 0.05 -0.79 -1.36 116.97 113.29 2jo0 h TYR 25 Ca -0.06 0.00 0.34 0.00 0.05 0.00 0.00 58.73 59.06 2jo0 h TYR 25 Cb 0.49 0.00 -0.07 0.00 1.01 0.00 0.00 36.73 38.16 2jo0 h TYR 25 CO 0.07 0.12 0.84 -0.22 -1.05 0.00 0.00 178.16 177.92 2jo0 h LYS 26 N 0.00 0.09 0.00 4.88 3.11 -1.44 -2.89 116.57 120.33 2jo0 h LYS 26 Ca -0.00 -0.01 -0.09 0.00 -2.81 0.00 0.00 60.65 57.75 2jo0 h LYS 26 Cb 0.36 -0.02 -0.02 0.00 -1.00 0.00 0.00 32.23 31.55 2jo0 h LYS 26 CO 0.02 0.06 -1.33 0.25 -2.81 0.00 0.00 179.45 175.64 2jo0 n THR 27 N -4.30 0.33 -0.33 1.00 -2.24 -0.58 -4.68 114.28 103.48 2jo0 n THR 27 Ca 0.27 -0.12 0.18 0.00 -2.27 0.00 0.00 64.05 62.12 2jo0 n THR 27 Cb 1.22 -0.81 0.39 0.00 -2.10 0.00 0.00 70.33 69.03 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 -0.03 0.48 0.00 3.22 7.12 -1.43 0.33 115.31 125.01 2jo0 h LEU 28 Ca -0.13 0.17 0.00 0.00 0.13 0.00 0.00 57.88 58.04 2jo0 h LEU 28 Cb 1.19 0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.43 2jo0 h LEU 28 CO -0.03 -0.03 0.07 -2.11 -0.13 0.00 0.00 178.44 176.21 2jo0 n ARG 29 N -5.01 0.00 0.07 1.25 -4.01 -1.09 -0.37 116.66 107.50 2jo0 n ARG 29 Ca 0.27 0.22 0.12 0.00 -1.04 0.00 0.00 57.85 57.42 2jo0 n ARG 29 Cb 0.80 -1.57 0.25 0.00 -3.04 0.00 0.00 32.46 28.91 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 -1.17 2.75 -0.39 2.89 0.00 0.11 -4.11 120.51 120.59 2jo0 n ALA 30 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2jo0 n ALA 30 Cb 0.07 -1.26 0.00 0.00 0.00 0.00 0.00 19.45 18.25 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 -2.11 0.00 0.24 0.00 1.02 0.50 -4.84 120.64 115.45 2jo0 n GLU 31 Ca 0.04 0.00 0.16 0.00 -0.02 0.00 0.00 57.16 57.34 2jo0 n GLU 31 Cb 0.43 -0.08 0.64 0.00 -0.02 0.00 0.00 31.44 32.41 2jo0 n GLU 31 CO 0.00 0.00 0.00 1.96 1.18 0.00 0.00 177.13 180.27 2jo0 h GLN 32 N 0.00 0.00 -6.20 3.49 1.08 -1.78 -3.47 115.11 108.23 2jo0 h GLN 32 Ca 0.00 0.00 -0.48 0.00 -1.45 0.00 0.00 58.65 56.72 2jo0 h GLN 32 Cb 0.00 0.00 -0.29 0.00 -0.05 0.00 0.00 27.48 27.14 2jo0 h GLN 32 CO 0.00 0.00 -0.69 0.00 -0.95 0.00 0.00 178.83 177.19 2jo0 n ALA 33 N -2.01 -0.93 -3.66 3.87 0.00 -1.26 -4.85 120.51 111.66 2jo0 n ALA 33 Ca 0.01 -0.16 -0.08 0.00 0.00 0.00 0.00 53.44 53.21 2jo0 n ALA 33 Cb 0.28 -1.89 -0.03 0.00 0.00 0.00 0.00 19.45 17.82 2jo0 n ALA 33 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2jo0 s SER 34 N -2.73 -0.18 -0.46 0.00 1.04 -1.26 -5.05 113.70 105.05 2jo0 s SER 34 Ca 0.63 -0.74 -0.01 0.00 0.48 0.00 0.00 55.95 56.31 2jo0 s SER 34 Cb -0.37 0.70 0.31 0.00 0.10 0.00 0.00 66.02 66.76 2jo0 s SER 34 CO 0.78 -1.31 2.04 1.67 0.98 0.00 0.00 173.24 177.40 2jo0 n GLN 35 N -0.44 2.17 -1.55 4.02 -0.06 -1.26 -5.02 117.38 115.23 2jo0 n GLN 35 Ca -0.04 -2.27 -0.52 0.00 -2.00 0.00 0.00 57.00 52.17 2jo0 n GLN 35 Cb 0.60 -1.89 -0.07 0.00 -4.06 0.00 0.00 30.24 24.82 2jo0 n GLN 35 CO 0.00 0.00 0.00 -1.91 -0.20 0.00 0.00 177.06 174.95 2jo0 n GLU 36 N -0.15 1.31 -0.09 3.69 2.13 -1.26 -4.90 120.64 121.37 2jo0 n GLU 36 Ca 0.43 0.42 -0.04 0.00 0.66 0.00 0.00 57.16 58.63 2jo0 n GLU 36 Cb 0.61 -2.42 0.17 0.00 0.27 0.00 0.00 31.44 30.07 2jo0 n GLU 36 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 2jo0 h VAL 37 N 6.35 1.24 0.00 6.31 2.07 -1.99 -2.91 116.25 127.31 2jo0 h VAL 37 Ca -0.36 -1.00 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 2jo0 h VAL 37 Cb 1.31 0.91 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 2jo0 h VAL 37 CO 0.99 0.35 -0.09 1.17 0.02 0.00 0.00 177.57 180.01 2jo0 n LYS 38 N -4.21 1.24 -0.30 1.57 0.00 -1.26 -4.79 118.16 110.41 2jo0 n LYS 38 Ca 0.02 -0.25 0.13 0.00 0.00 0.00 0.00 58.31 58.21 2jo0 n LYS 38 Cb 0.30 -1.25 0.28 0.00 0.00 0.00 0.00 35.03 34.36 2jo0 n LYS 38 CO 0.00 0.00 0.00 -2.95 0.00 0.00 0.00 177.40 174.45 2jo0 h ASN 39 N 1.51 -0.07 0.00 3.14 -1.07 -1.85 -1.98 115.58 115.27 2jo0 h ASN 39 Ca 0.05 0.20 0.00 0.00 0.07 0.00 0.00 56.30 56.62 2jo0 h ASN 39 Cb 1.12 0.29 0.00 0.00 -2.07 0.00 0.00 38.32 37.66 2jo0 h ASN 39 CO 0.06 -0.18 0.00 0.00 0.07 0.00 0.00 177.43 177.38 2jo0 n ALA 40 N -2.76 1.86 0.30 4.14 0.00 -1.26 -2.54 120.51 120.25 2jo0 n ALA 40 Ca 0.21 -0.05 0.10 0.00 0.00 0.00 0.00 53.44 53.70 2jo0 n ALA 40 Cb 0.68 -1.13 0.48 0.00 0.00 0.00 0.00 19.45 19.47 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 -0.91 0.15 -4.20 0.00 2.81 -0.75 -4.79 117.12 109.43 2jo0 n MET 41 Ca 0.06 0.49 -0.26 0.00 -1.81 0.00 0.00 57.70 56.18 2jo0 n MET 41 Cb 0.03 -1.84 -0.06 0.00 -0.71 0.00 0.00 33.22 30.64 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 -2.13 0.00 0.07 2.03 -2.24 -1.05 -5.01 114.28 105.95 2jo0 n THR 42 Ca 0.01 -2.00 0.02 0.00 -2.27 0.00 0.00 64.05 59.81 2jo0 n THR 42 Cb 0.14 0.45 0.12 0.00 -2.10 0.00 0.00 70.33 68.94 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 -1.01 0.03 -0.67 -0.78 0.28 -1.26 -4.62 120.64 112.61 2jo0 n GLU 43 Ca -0.16 0.37 -0.20 0.00 -0.16 0.00 0.00 57.16 57.01 2jo0 n GLU 43 Cb 0.53 -1.94 -0.05 0.00 1.43 0.00 0.00 31.44 31.41 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 -1.56 0.00 0.21 3.84 -1.04 -1.26 -4.80 114.28 109.67 2jo0 n THR 44 Ca -0.00 -0.21 0.12 0.00 -2.04 0.00 0.00 64.05 61.92 2jo0 n THR 44 Cb 0.34 -0.99 0.60 0.00 -1.82 0.00 0.00 70.33 68.47 2jo0 n THR 44 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2jo0 h LEU 45 N 11.92 0.00 -7.65 -4.42 3.38 -1.91 -3.38 115.31 113.25 2jo0 h LEU 45 Ca 0.11 0.00 0.17 0.00 0.09 0.00 0.00 57.88 58.26 2jo0 h LEU 45 Cb 0.52 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2jo0 h LEU 45 CO 1.18 0.00 0.47 -1.48 0.09 0.00 0.00 178.44 178.71 2jo0 s LEU 46 N -4.60 -0.19 -0.07 1.67 -0.00 -1.26 -4.91 118.68 109.32 2jo0 s LEU 46 Ca -0.01 -0.40 -0.04 0.00 -0.00 0.00 0.00 54.13 53.68 2jo0 s LEU 46 Cb 0.07 2.18 0.03 0.00 -0.00 0.00 0.00 46.19 48.47 2jo0 s LEU 46 CO 0.24 -0.91 0.16 -0.69 -0.00 0.00 0.00 176.35 175.15 2jo0 s VAL 47 N -3.31 -0.03 0.42 1.48 1.01 -1.26 -4.94 120.40 113.77 2jo0 s VAL 47 Ca 0.12 0.12 0.09 0.00 0.00 0.00 0.00 61.98 62.31 2jo0 s VAL 47 Cb -0.02 -0.25 0.25 0.00 0.00 0.00 0.00 36.38 36.36 2jo0 s VAL 47 CO 0.02 0.05 2.05 1.56 0.00 0.00 0.00 175.10 178.78 2jo0 h GLN 48 N 6.81 0.40 0.00 2.72 4.20 -1.92 -2.81 115.11 124.51 2jo0 h GLN 48 Ca -0.37 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2jo0 h GLN 48 Cb 1.16 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2jo0 h GLN 48 CO 0.41 0.30 0.00 -1.71 -0.67 0.00 0.00 178.83 177.17 2jo0 n ASN 49 N -4.45 0.00 -4.68 1.46 5.15 -1.26 -4.81 115.26 106.67 2jo0 n ASN 49 Ca 0.01 -0.24 -0.52 0.00 -0.60 0.00 0.00 54.58 53.23 2jo0 n ASN 49 Cb 0.10 0.00 -0.06 0.00 -0.53 0.00 0.00 39.78 39.29 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 -0.99 0.25 -2.77 5.20 0.00 -1.06 -4.70 120.51 116.43 2jo0 n ALA 50 Ca 0.06 0.38 -0.04 0.00 0.00 0.00 0.00 53.44 53.84 2jo0 n ALA 50 Cb 0.03 -2.31 0.01 0.00 0.00 0.00 0.00 19.45 17.18 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 5.07 0.32 -0.16 0.00 6.94 -1.26 -4.88 115.26 121.29 2jo0 n ASN 51 Ca 0.23 -1.24 -0.09 0.00 -0.02 0.00 0.00 54.58 53.45 2jo0 n ASN 51 Cb 0.22 -0.09 -0.00 0.00 -2.36 0.00 0.00 39.78 37.55 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 0.74 -0.14 -0.53 0.13 -1.94 -3.19 132.00 127.07 2jo0 h PRO 52 Ca -0.05 -0.19 -0.09 0.00 -0.87 0.00 0.00 66.00 64.80 2jo0 h PRO 52 Cb 0.21 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 31.25 2jo0 h PRO 52 CO 0.06 0.75 -0.25 -0.44 -0.23 0.00 0.00 178.00 177.90 2jo0 h ASP 53 N 0.61 0.46 -0.60 1.44 3.32 -1.95 -3.00 116.42 116.71 2jo0 h ASP 53 Ca 0.14 -0.54 0.12 0.00 0.02 0.00 0.00 57.03 56.77 2jo0 h ASP 53 Cb 0.36 -0.13 -0.11 0.00 0.22 0.00 0.00 39.33 39.67 2jo0 h ASP 53 CO 0.01 0.92 -0.12 0.00 -1.72 0.00 0.00 179.24 178.32 2jo0 h LYS 55 N 0.02 0.58 0.00 0.00 6.56 -1.51 -0.23 116.57 121.99 2jo0 h LYS 55 Ca 0.29 -0.09 -0.00 0.00 -1.06 0.00 0.00 60.65 59.79 2jo0 h LYS 55 Cb 0.46 -0.10 -0.00 0.00 -0.57 0.00 0.00 32.23 32.01 2jo0 h LYS 55 CO -0.60 0.52 -0.00 1.15 -2.06 0.00 0.00 179.45 178.45 2jo0 h THR 56 N 0.50 0.02 0.00 -0.16 2.02 -1.27 -2.85 112.91 111.17 2jo0 h THR 56 Ca 0.14 -0.09 0.00 0.00 0.77 0.00 0.00 66.41 67.23 2jo0 h THR 56 Cb 0.13 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 67.62 2jo0 h THR 56 CO -0.02 0.00 -0.16 0.40 0.37 0.00 0.00 175.52 176.12 2jo0 h ILE 57 N 0.00 0.00 0.00 3.11 2.04 0.06 -3.38 117.51 119.34 2jo0 h ILE 57 Ca -0.00 -0.54 0.00 0.00 1.00 0.00 0.00 64.86 65.32 2jo0 h ILE 57 Cb 0.08 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 2jo0 h ILE 57 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 178.15 178.08 2jo0 h LEU 58 N -0.54 0.00 -1.70 1.44 4.07 -1.24 -0.05 115.31 117.30 2jo0 h LEU 58 Ca 0.00 0.00 0.32 0.00 0.08 0.00 0.00 57.88 58.28 2jo0 h LEU 58 Cb 0.16 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.85 2jo0 h LEU 58 CO 0.00 0.00 0.97 0.11 -1.08 0.00 0.00 178.44 178.44 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.65 -0.92 116.57 116.92 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 0.13 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.78 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 -2.53 1.55 -2.51 3.86 0.00 -0.10 -4.81 120.51 115.97 2jo0 n ALA 60 Ca 0.24 -0.52 -0.14 0.00 0.00 0.00 0.00 53.44 53.02 2jo0 n ALA 60 Cb 1.32 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.80 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 -0.13 3.05 -2.88 0.00 7.94 -0.36 -4.87 117.00 119.75 2jo0 n LEU 61 Ca 0.00 -4.05 -0.35 0.00 -1.11 0.00 0.00 56.01 50.50 2jo0 n LEU 61 Cb 0.21 0.07 0.02 0.00 0.53 0.00 0.00 43.42 44.25 2jo0 n LEU 61 CO 0.00 1.66 1.02 0.61 -1.11 0.00 0.00 177.39 179.58 2jo0 n GLY 62 N -0.50 5.75 1.71 -3.96 0.00 -1.14 -4.45 105.19 102.62 2jo0 n GLY 62 Ca 0.24 -2.60 -0.03 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.44 1.04 -0.71 1.61 -0.04 -1.26 -4.80 135.00 130.39 2jo0 n PRO 63 Ca 0.47 -0.21 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 2jo0 n PRO 63 Cb 0.38 -1.30 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.84 0.00 0.00 0.55 0.00 -1.26 -4.39 120.51 117.25 2jo0 n ALA 64 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.53 2jo0 n ALA 64 Cb 0.50 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.83 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 0.87 2.56 0.22 0.00 0.00 -1.26 -4.85 120.51 118.05 2jo0 n ALA 65 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2jo0 n ALA 65 Cb 0.30 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.45 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 -0.68 0.00 2.02 -1.90 -2.60 112.91 109.75 2jo0 h THR 66 Ca 0.00 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.27 2jo0 h THR 66 Cb 0.00 0.57 -0.07 0.00 -1.74 0.00 0.00 68.15 66.91 2jo0 h THR 66 CO 0.00 0.00 0.33 0.25 0.37 0.00 0.00 175.52 176.47 2jo0 h LEU 67 N 0.00 0.43 -1.25 2.58 6.46 -1.89 -2.04 115.31 119.61 2jo0 h LEU 67 Ca 0.00 0.06 0.24 0.00 -0.12 0.00 0.00 57.88 58.06 2jo0 h LEU 67 Cb 0.22 -0.01 -0.10 0.00 -0.73 0.00 0.00 40.66 40.04 2jo0 h LEU 67 CO 0.00 0.25 0.64 -0.33 -0.62 0.00 0.00 178.44 178.38 2jo0 h GLU 68 N 0.58 0.48 0.05 1.25 5.08 -1.85 0.28 114.58 120.45 2jo0 h GLU 68 Ca 0.33 -0.03 -0.27 0.00 -1.00 0.00 0.00 59.36 58.39 2jo0 h GLU 68 Cb 0.34 -0.11 0.02 0.00 0.50 0.00 0.00 28.75 29.50 2jo0 h GLU 68 CO -0.26 0.32 -1.11 1.05 -1.00 0.00 0.00 179.01 178.01 2jo0 h GLU 69 N 0.49 0.60 -0.14 2.33 4.11 -1.66 -3.38 114.58 116.94 2jo0 h GLU 69 Ca 0.59 -0.71 -0.10 0.00 0.07 0.00 0.00 59.36 59.22 2jo0 h GLU 69 Cb 1.32 0.22 -0.01 0.00 0.50 0.00 0.00 28.75 30.77 2jo0 h GLU 69 CO -0.34 1.30 -0.34 0.52 0.07 0.00 0.00 179.01 180.23 2jo0 h MET 70 N 0.31 0.28 -0.59 1.06 2.86 0.14 0.34 114.93 119.33 2jo0 h MET 70 Ca -0.14 -0.12 0.07 0.00 -2.06 0.00 0.00 59.70 57.45 2jo0 h MET 70 Cb 1.77 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 33.35 2jo0 h MET 70 CO 0.21 0.59 0.27 1.98 1.06 0.00 0.00 176.91 181.02 2jo0 h MET 71 N 0.25 0.48 0.13 1.72 1.85 -1.15 -2.96 114.93 115.25 2jo0 h MET 71 Ca 0.03 -0.03 -0.30 0.00 -0.61 0.00 0.00 59.70 58.79 2jo0 h MET 71 Cb 0.72 -0.11 -0.00 0.00 0.43 0.00 0.00 31.60 32.64 2jo0 h MET 71 CO 0.05 0.32 -1.46 1.15 -0.40 0.00 0.00 176.91 176.57 2jo0 h THR 72 N 0.50 1.24 -0.11 -0.77 2.02 -1.61 -3.39 112.91 110.79 2jo0 h THR 72 Ca 0.28 -2.85 0.03 0.00 0.77 0.00 0.00 66.41 64.65 2jo0 h THR 72 Cb 0.27 2.82 -0.00 0.00 -1.74 0.00 0.00 68.15 69.50 2jo0 h THR 72 CO -0.24 0.84 0.09 0.00 0.37 0.00 0.00 175.52 176.58 2jo0 h ALA 73 N 0.49 2.03 -0.13 6.16 0.00 -0.16 -0.03 119.26 127.61 2jo0 h ALA 73 Ca -0.22 -0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2jo0 h ALA 73 Cb 2.02 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 19.81 2jo0 h ALA 73 CO 0.18 -0.15 0.40 0.00 0.00 0.00 0.00 179.25 179.68 2jo0 h GLN 75 N 0.00 0.08 0.00 0.00 3.07 -1.27 -3.37 115.11 113.62 2jo0 h GLN 75 Ca 0.06 -0.06 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2jo0 h GLN 75 Cb 0.86 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.43 2jo0 h GLN 75 CO -0.00 0.68 0.00 0.41 0.09 0.00 0.00 178.83 180.01 2jo0 n GLY 76 N 0.27 -0.11 0.19 0.06 0.00 -0.81 -4.60 105.19 100.19 2jo0 n GLY 76 Ca -0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.01 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 0.34 1.28 -5.43 1.61 3.04 -1.05 -3.47 116.25 112.57 2jo0 h VAL 77 Ca 0.00 -1.36 -0.10 0.00 -1.01 0.00 0.00 66.70 64.23 2jo0 h VAL 77 Cb 0.17 1.67 -0.03 0.00 -2.01 0.00 0.00 31.29 31.09 2jo0 h VAL 77 CO 0.00 0.40 -0.16 0.61 -1.01 0.00 0.00 177.57 177.41 2jo0 n GLY 78 N -0.37 -0.02 3.94 3.17 0.00 -1.26 -4.95 105.19 105.70 2jo0 n GLY 78 Ca -0.02 0.03 -0.26 0.00 0.00 0.00 0.00 46.02 45.78 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 -3.30 1.72 0.00 -0.02 0.00 -1.26 -4.98 107.32 99.48 2jo0 s GLY 79 Ca 0.00 -1.09 0.20 0.00 0.00 0.00 0.00 44.72 43.83 2jo0 s GLY 79 CO 0.16 -0.63 1.59 -1.55 0.00 0.00 0.00 173.10 172.67 2jo0 n PRO 80 N -2.98 0.69 0.00 2.90 -0.04 -1.26 -4.84 135.00 129.46 2jo0 n PRO 80 Ca 0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 2jo0 n PRO 80 Cb 0.60 -1.45 0.00 0.00 -0.04 0.00 0.00 33.50 32.61 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 0.35 -0.68 3.96 0.55 0.00 -1.26 -5.06 105.19 103.05 2jo0 n GLY 81 Ca 0.15 -1.68 -0.27 0.00 0.00 0.00 0.00 46.02 44.23 2jo0 n GLY 81 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2jo0 s HIS 82 N -2.29 1.78 -0.40 1.61 -3.43 -1.26 -5.01 115.29 106.28 2jo0 s HIS 82 Ca 0.00 0.10 0.09 0.00 -0.80 0.00 0.00 55.06 54.45 2jo0 s HIS 82 Cb 0.00 -3.54 0.30 0.00 -1.43 0.00 0.00 32.58 27.91 2jo0 s HIS 82 CO 0.00 -2.10 0.74 1.17 -2.00 0.00 0.00 174.74 172.54 2jo0 n LYS 83 N -3.28 0.87 0.00 -0.38 4.81 -1.26 -5.13 118.16 113.79 2jo0 n LYS 83 Ca 0.14 -2.92 0.00 0.00 -0.87 0.00 0.00 58.31 54.66 2jo0 n LYS 83 Cb 0.60 -1.42 0.00 0.00 0.02 0.00 0.00 35.03 34.23 2jo0 n LYS 83 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2jo0 n ALA 84 N 0.83 0.00 -2.22 3.14 0.00 -1.26 -5.15 120.51 115.85 2jo0 n ALA 84 Ca 0.19 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.49 2jo0 n ALA 84 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 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 0.00 1.35 -0.00 0.00 3.52 -1.26 -5.09 118.95 117.48 2jo0 s ARG 85 Ca 0.00 -1.74 0.00 0.00 -0.13 0.00 0.00 55.73 53.86 2jo0 s ARG 85 Cb 0.00 0.28 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 2jo0 s ARG 85 CO 0.00 -0.46 0.87 1.55 -0.81 0.00 0.00 175.30 176.45 2jo0 n VAL 86 N -0.37 0.74 -1.46 7.11 3.14 -1.26 -5.32 118.33 120.92 2jo0 n VAL 86 Ca 0.03 -0.74 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 2jo0 n VAL 86 Cb 0.65 0.63 0.00 0.00 -1.06 0.00 0.00 33.84 34.06 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55