#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 h SER 2 N 0.00 -0.82 -3.23 6.12 0.87 -2.03 -3.38 113.55 111.08 2jo0 h SER 2 Ca 0.00 0.03 -0.53 0.00 -1.23 0.00 0.00 61.79 60.06 2jo0 h SER 2 Cb 0.00 0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2jo0 h SER 2 CO 0.00 -0.58 0.58 -2.16 -0.53 0.00 0.00 176.83 174.14 2jo0 s PRO 3 N -5.09 4.43 0.00 2.24 0.04 -1.26 -4.94 135.00 130.42 2jo0 s PRO 3 Ca -0.14 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2jo0 s PRO 3 Cb 0.01 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.24 2jo0 s PRO 3 CO 0.42 -0.24 0.00 -2.37 0.04 0.00 0.00 177.00 174.85 2jo0 n THR 4 N 3.63 0.00 -3.92 1.26 5.66 -1.26 -5.18 114.28 114.47 2jo0 n THR 4 Ca 0.08 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 61.00 2jo0 n THR 4 Cb 0.46 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.16 2jo0 n THR 4 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2jo0 s SER 5 N 0.08 0.16 0.62 1.09 0.01 -1.26 -5.02 113.70 109.37 2jo0 s SER 5 Ca 0.00 -0.76 0.32 0.00 1.31 0.00 0.00 55.95 56.82 2jo0 s SER 5 Cb 0.00 0.34 1.85 0.00 0.21 0.00 0.00 66.02 68.41 2jo0 s SER 5 CO 0.00 -0.74 2.16 0.16 0.41 0.00 0.00 173.24 175.22 2jo0 h ILE 6 N 2.77 0.32 -0.21 1.44 -0.00 -1.92 -2.16 117.51 117.75 2jo0 h ILE 6 Ca -0.34 0.00 0.06 0.00 -0.00 0.00 0.00 64.86 64.58 2jo0 h ILE 6 Cb 1.20 0.87 -0.01 0.00 -0.00 0.00 0.00 36.82 38.88 2jo0 h ILE 6 CO 0.56 0.00 0.77 0.17 -0.00 0.00 0.00 178.15 179.66 2jo0 h LEU 7 N 0.00 0.00 -2.55 0.16 8.10 -1.97 -0.01 115.31 119.04 2jo0 h LEU 7 Ca 0.04 0.00 -0.00 0.00 0.11 0.00 0.00 57.88 58.03 2jo0 h LEU 7 Cb 0.34 0.00 -0.00 0.00 -0.44 0.00 0.00 40.66 40.56 2jo0 h LEU 7 CO -0.00 0.00 -0.00 -0.78 -4.11 0.00 0.00 178.44 173.55 2jo0 h ASP 8 N 0.00 0.00 0.00 0.17 3.58 -1.82 -3.24 116.42 115.10 2jo0 h ASP 8 Ca 0.10 0.00 -0.09 0.00 0.42 0.00 0.00 57.03 57.46 2jo0 h ASP 8 Cb 1.65 0.00 -0.19 0.00 1.72 0.00 0.00 39.33 42.50 2jo0 h ASP 8 CO -0.00 0.00 -0.73 2.30 -2.88 0.00 0.00 179.24 177.93 2jo0 n ILE 9 N -3.10 0.48 -1.66 2.25 -5.35 -0.02 -5.04 119.36 106.92 2jo0 n ILE 9 Ca -0.02 -1.16 -0.63 0.00 -0.27 0.00 0.00 62.75 60.67 2jo0 n ILE 9 Cb 0.14 0.58 -0.09 0.00 -1.74 0.00 0.00 39.64 38.52 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 -0.04 0.46 -0.09 6.28 5.12 -1.23 -4.88 116.66 122.28 2jo0 n ARG 10 Ca 0.07 0.16 -0.19 0.00 -1.93 0.00 0.00 57.85 55.96 2jo0 n ARG 10 Cb 0.92 -1.76 -0.07 0.00 -1.16 0.00 0.00 32.46 30.39 2jo0 n ARG 10 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2jo0 n GLN 11 N 5.13 0.39 0.00 5.56 -0.06 -1.26 -5.12 117.38 122.02 2jo0 n GLN 11 Ca 0.33 0.17 0.00 0.00 -2.00 0.00 0.00 57.00 55.50 2jo0 n GLN 11 Cb 0.02 -1.17 0.00 0.00 -4.06 0.00 0.00 30.24 25.04 2jo0 n GLN 11 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 2jo0 n GLY 12 N 1.90 2.51 1.31 1.69 0.00 -1.26 -4.98 105.19 106.35 2jo0 n GLY 12 Ca -0.36 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.01 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 0.73 -0.10 1.61 -0.04 -1.26 -4.16 135.00 131.78 2jo0 n PRO 13 Ca 0.00 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.22 2jo0 n PRO 13 Cb 0.00 -1.14 -0.11 0.00 -0.04 0.00 0.00 33.50 32.21 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 1.12 0.61 0.00 0.54 3.00 -1.26 -4.72 118.16 117.45 2jo0 n LYS 14 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 58.31 58.70 2jo0 n LYS 14 Cb 0.36 -1.64 0.00 0.00 0.00 0.00 0.00 35.03 33.76 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 -4.13 0.00 0.00 1.64 4.71 -1.26 -4.05 120.64 117.55 2jo0 n GLU 15 Ca -0.41 0.00 0.09 0.00 -0.01 0.00 0.00 57.16 56.83 2jo0 n GLU 15 Cb 0.83 -0.46 0.47 0.00 -1.01 0.00 0.00 31.44 31.27 2jo0 n GLU 15 CO 0.00 0.00 0.00 -0.35 0.09 0.00 0.00 177.13 176.87 2jo0 n PRO 16 N -1.87 0.34 0.00 3.49 -0.04 -1.26 -4.62 135.00 131.03 2jo0 n PRO 16 Ca 0.00 0.09 0.00 0.00 -0.04 0.00 0.00 63.50 63.55 2jo0 n PRO 16 Cb 0.08 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.04 2jo0 n PRO 16 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 2jo0 n PHE 17 N -1.21 0.00 -0.22 0.54 7.35 -1.26 -1.73 117.46 120.94 2jo0 n PHE 17 Ca 0.10 0.00 -0.04 0.00 -0.76 0.00 0.00 57.45 56.74 2jo0 n PHE 17 Cb 0.12 0.00 -0.03 0.00 0.35 0.00 0.00 39.48 39.92 2jo0 n PHE 17 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2jo0 n ARG 18 N 0.00 -0.20 -0.10 -4.13 -4.01 -1.26 -0.49 116.66 106.47 2jo0 n ARG 18 Ca 0.00 0.80 0.03 0.00 -1.04 0.00 0.00 57.85 57.64 2jo0 n ARG 18 Cb 0.00 -1.18 0.35 0.00 -3.04 0.00 0.00 32.46 28.59 2jo0 n ARG 18 CO 0.00 0.00 0.00 0.22 -3.04 0.00 0.00 177.63 174.81 2jo0 h ASP 19 N 0.00 0.64 0.48 2.89 3.58 -1.75 -2.68 116.42 119.58 2jo0 h ASP 19 Ca 0.11 -0.01 -0.30 0.00 0.42 0.00 0.00 57.03 57.25 2jo0 h ASP 19 Cb 0.24 -0.16 -0.04 0.00 1.72 0.00 0.00 39.33 41.10 2jo0 h ASP 19 CO -0.50 0.46 -1.66 0.22 -2.88 0.00 0.00 179.24 174.88 2jo0 h TYR 20 N 0.75 0.14 -0.40 0.28 3.20 -1.11 -3.39 116.97 116.44 2jo0 h TYR 20 Ca 0.22 -0.10 0.07 0.00 3.14 0.00 0.00 58.73 62.06 2jo0 h TYR 20 Cb -0.05 -0.01 -0.07 0.00 1.54 0.00 0.00 36.73 38.15 2jo0 h TYR 20 CO -0.00 1.18 -0.01 0.28 -1.64 0.00 0.00 178.16 177.97 2jo0 h VAL 21 N 0.02 0.69 -0.23 1.81 2.07 -0.44 0.93 116.25 121.09 2jo0 h VAL 21 Ca -0.27 -0.03 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2jo0 h VAL 21 Cb 1.99 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2jo0 h VAL 21 CO 0.10 0.02 0.14 -0.78 0.02 0.00 0.00 177.57 177.07 2jo0 h ASP 22 N 0.10 0.28 -0.56 0.57 1.82 -1.73 -1.95 116.42 114.95 2jo0 h ASP 22 Ca 0.20 -0.04 0.02 0.00 -0.39 0.00 0.00 57.03 56.82 2jo0 h ASP 22 Cb 0.28 -0.07 -0.04 0.00 0.68 0.00 0.00 39.33 40.19 2jo0 h ASP 22 CO -0.34 0.23 0.34 0.03 -1.61 0.00 0.00 179.24 177.89 2jo0 h ARG 23 N 0.29 0.65 0.46 0.28 2.47 -1.65 -0.34 114.38 116.55 2jo0 h ARG 23 Ca 0.08 -0.04 -0.02 0.00 -1.26 0.00 0.00 59.98 58.74 2jo0 h ARG 23 Cb 0.00 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.18 2jo0 h ARG 23 CO -0.02 0.43 -0.22 0.35 0.56 0.00 0.00 179.97 181.08 2jo0 h PHE 24 N 0.67 -0.57 -0.41 3.04 3.04 -0.71 -1.55 116.94 120.45 2jo0 h PHE 24 Ca 0.22 -0.01 0.12 0.00 3.98 0.00 0.00 57.97 62.28 2jo0 h PHE 24 Cb 0.02 0.19 -0.02 0.00 2.56 0.00 0.00 35.95 38.70 2jo0 h PHE 24 CO -0.06 -0.31 0.31 1.88 -2.02 0.00 0.00 178.31 178.11 2jo0 h TYR 25 N -0.71 0.00 -0.00 0.41 -1.99 -1.17 0.64 116.97 114.15 2jo0 h TYR 25 Ca -0.06 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.67 2jo0 h TYR 25 Cb 0.52 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.25 2jo0 h TYR 25 CO -0.02 0.00 -0.23 1.63 -0.00 0.00 0.00 178.16 179.54 2jo0 n LYS 26 N -4.32 0.41 -0.00 4.88 4.01 -0.15 -1.32 118.16 121.66 2jo0 n LYS 26 Ca 0.07 -0.18 0.04 0.00 -0.51 0.00 0.00 58.31 57.73 2jo0 n LYS 26 Cb 0.50 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.46 2jo0 n LYS 26 CO 0.00 0.00 0.00 0.25 -1.11 0.00 0.00 177.40 176.54 2jo0 n THR 27 N -1.14 0.00 0.13 -0.18 -2.24 -0.70 -4.67 114.28 105.48 2jo0 n THR 27 Ca 0.10 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.40 2jo0 n THR 27 Cb 0.32 0.58 -0.15 0.00 -2.10 0.00 0.00 70.33 68.98 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 0.87 0.00 3.22 7.12 -0.80 -3.41 115.31 122.31 2jo0 h LEU 28 Ca 0.00 -0.89 0.00 0.00 0.13 0.00 0.00 57.88 57.12 2jo0 h LEU 28 Cb 0.30 -0.28 0.00 0.00 -0.53 0.00 0.00 40.66 40.15 2jo0 h LEU 28 CO 0.00 1.69 0.00 -2.11 -0.13 0.00 0.00 178.44 177.89 2jo0 n ARG 29 N -3.75 0.00 0.05 1.25 1.85 -0.43 -2.27 116.66 113.36 2jo0 n ARG 29 Ca -0.16 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.68 2jo0 n ARG 29 Cb 1.07 -1.46 0.26 0.00 -1.05 0.00 0.00 32.46 31.27 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jo0 h ALA 30 N 0.04 1.22 -3.00 2.89 0.00 -1.89 -3.33 119.26 115.20 2jo0 h ALA 30 Ca 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2jo0 h ALA 30 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.68 2jo0 h ALA 30 CO 0.00 0.51 0.00 0.39 0.00 0.00 0.00 179.25 180.15 2jo0 n GLU 31 N -4.15 0.00 -1.02 0.00 1.02 -0.96 -4.80 120.64 110.73 2jo0 n GLU 31 Ca -0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 2jo0 n GLU 31 Cb 0.37 -0.08 -0.09 0.00 -0.02 0.00 0.00 31.44 31.62 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 -0.68 1.90 -0.26 3.49 1.13 -1.26 -4.59 117.38 117.11 2jo0 n GLN 32 Ca 0.00 -1.21 0.29 0.00 -1.94 0.00 0.00 57.00 54.14 2jo0 n GLN 32 Cb 0.00 -1.81 0.68 0.00 0.11 0.00 0.00 30.24 29.21 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2jo0 h ALA 33 N 2.47 2.78 -0.71 -1.58 0.00 -1.87 -3.32 119.26 117.02 2jo0 h ALA 33 Ca 0.22 -0.01 -0.50 0.00 0.00 0.00 0.00 54.91 54.62 2jo0 h ALA 33 Cb 1.16 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 2jo0 h ALA 33 CO 0.41 -1.09 1.55 -1.12 0.00 0.00 0.00 179.25 178.99 2jo0 s SER 34 N -5.41 5.92 -0.19 0.00 0.01 -1.26 -4.92 113.70 107.85 2jo0 s SER 34 Ca -0.06 -1.88 -0.15 0.00 1.31 0.00 0.00 55.95 55.17 2jo0 s SER 34 Cb 0.23 -2.58 -0.17 0.00 0.21 0.00 0.00 66.02 63.71 2jo0 s SER 34 CO 0.79 -2.12 1.45 0.00 0.41 0.00 0.00 173.24 173.77 2jo0 n GLN 35 N 8.44 0.40 -4.33 12.44 10.64 -1.25 -4.68 117.38 139.04 2jo0 n GLN 35 Ca 0.45 -0.95 -0.20 0.00 -1.83 0.00 0.00 57.00 54.47 2jo0 n GLN 35 Cb 0.47 -2.34 -0.08 0.00 -0.86 0.00 0.00 30.24 27.42 2jo0 n GLN 35 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2jo0 s GLU 36 N 5.58 1.76 0.60 2.61 2.12 -1.26 -4.69 118.70 125.42 2jo0 s GLU 36 Ca 0.37 -2.03 0.28 0.00 0.36 0.00 0.00 54.97 53.95 2jo0 s GLU 36 Cb 0.08 0.11 1.23 0.00 0.26 0.00 0.00 34.13 35.82 2jo0 s GLU 36 CO 0.14 -0.60 1.62 0.28 -0.54 0.00 0.00 175.26 176.17 2jo0 h VAL 37 N 2.08 0.18 0.00 3.70 2.07 -1.97 -3.08 116.25 119.23 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 0.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 2jo0 h VAL 37 CO 0.42 0.00 0.00 0.29 0.02 0.00 0.00 177.57 178.30 2jo0 n LYS 38 N -3.46 0.00 -0.74 1.57 5.02 -1.26 -4.88 118.16 114.42 2jo0 n LYS 38 Ca 0.15 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.14 2jo0 n LYS 38 Cb 1.06 -0.99 0.18 0.00 -0.02 0.00 0.00 35.03 35.26 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 -0.57 2.56 0.00 4.39 3.84 -1.17 -5.02 114.94 118.97 2jo0 s ASN 39 Ca 0.00 1.94 0.00 0.00 0.21 0.00 0.00 52.86 55.01 2jo0 s ASN 39 Cb 0.00 -2.47 0.00 0.00 -0.55 0.00 0.00 41.25 38.23 2jo0 s ASN 39 CO 0.00 -3.28 0.00 0.00 -2.79 0.00 0.00 177.10 171.03 2jo0 n ALA 40 N -4.34 0.00 -0.65 1.71 0.00 -1.26 -5.09 120.51 110.89 2jo0 n ALA 40 Ca 0.09 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.61 2jo0 n ALA 40 Cb 0.53 0.00 0.27 0.00 0.00 0.00 0.00 19.45 20.25 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 3.31 0.00 0.00 2.81 -1.26 -4.85 117.12 117.13 2jo0 n MET 41 Ca 0.00 -2.67 0.00 0.00 -1.81 0.00 0.00 57.70 53.22 2jo0 n MET 41 Cb 0.00 -1.73 0.00 0.00 -0.71 0.00 0.00 33.22 30.78 2jo0 n MET 41 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 2jo0 n THR 42 N 0.38 0.00 0.00 2.03 -1.04 -1.26 -4.87 114.28 109.52 2jo0 n THR 42 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2jo0 n THR 42 Cb 0.79 -0.60 0.00 0.00 -1.82 0.00 0.00 70.33 68.70 2jo0 n THR 42 CO 0.00 0.00 0.00 -1.84 -0.64 0.00 0.00 175.07 172.59 2jo0 n GLU 43 N -1.62 0.00 -1.60 -2.82 0.28 -1.26 -4.82 120.64 108.80 2jo0 n GLU 43 Ca 0.00 0.17 -0.41 0.00 -0.16 0.00 0.00 57.16 56.76 2jo0 n GLU 43 Cb 0.00 -1.54 0.02 0.00 1.43 0.00 0.00 31.44 31.35 2jo0 n GLU 43 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2jo0 n THR 44 N -1.11 2.60 0.00 3.84 5.66 -1.26 -4.99 114.28 119.01 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 0.04 -1.10 0.00 0.00 -1.55 0.00 0.00 70.33 67.72 2jo0 n THR 44 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2jo0 n LEU 45 N 0.34 0.00 -3.84 1.09 4.77 -1.26 -5.00 117.00 113.10 2jo0 n LEU 45 Ca 0.10 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 56.01 2jo0 n LEU 45 Cb 0.41 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.49 2jo0 n LEU 45 CO 0.55 0.00 0.50 -1.48 -1.33 0.00 0.00 177.39 175.63 2jo0 s LEU 46 N -0.33 -0.19 -0.07 2.23 2.34 -1.26 -4.50 118.68 116.89 2jo0 s LEU 46 Ca 0.00 -0.73 -0.02 0.00 0.06 0.00 0.00 54.13 53.44 2jo0 s LEU 46 Cb 0.00 2.72 0.04 0.00 -0.56 0.00 0.00 46.19 48.39 2jo0 s LEU 46 CO 0.00 -1.40 0.05 -0.69 -1.06 0.00 0.00 176.35 173.25 2jo0 s VAL 47 N -3.48 0.01 -0.39 1.48 1.01 -1.26 -4.94 120.40 112.83 2jo0 s VAL 47 Ca 0.12 0.23 -0.41 0.00 0.00 0.00 0.00 61.98 61.92 2jo0 s VAL 47 Cb -0.06 -0.33 -0.16 0.00 0.00 0.00 0.00 36.38 35.83 2jo0 s VAL 47 CO 0.08 0.10 1.91 0.00 0.00 0.00 0.00 175.10 177.18 2jo0 n GLN 48 N 5.26 0.64 0.00 2.72 6.02 -1.26 -2.43 117.38 128.33 2jo0 n GLN 48 Ca -0.05 0.21 0.00 0.00 -0.01 0.00 0.00 57.00 57.16 2jo0 n GLN 48 Cb 0.50 -1.92 0.00 0.00 1.02 0.00 0.00 30.24 29.84 2jo0 n GLN 48 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2jo0 n ASN 49 N 6.58 0.00 0.00 1.08 5.15 -1.26 -4.83 115.26 121.97 2jo0 n ASN 49 Ca 0.37 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.35 2jo0 n ASN 49 Cb 0.07 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.32 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 0.92 0.00 -3.28 5.20 0.00 -1.02 -4.51 120.51 117.83 2jo0 n ALA 50 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2jo0 n ALA 50 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.96 -0.25 0.39 0.00 2.20 -1.26 -5.07 114.94 107.98 2jo0 s ASN 51 Ca 0.00 -0.49 0.21 0.00 -0.94 0.00 0.00 52.86 51.64 2jo0 s ASN 51 Cb 0.00 0.57 0.43 0.00 -2.00 0.00 0.00 41.25 40.26 2jo0 s ASN 51 CO 0.00 -1.04 1.62 1.55 -2.94 0.00 0.00 177.10 176.28 2jo0 h PRO 52 N 2.21 0.00 0.80 3.55 0.13 -1.99 -3.39 132.00 133.32 2jo0 h PRO 52 Ca -0.29 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.80 2jo0 h PRO 52 Cb 1.26 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.40 2jo0 h PRO 52 CO 0.38 0.25 -0.39 -0.44 -0.23 0.00 0.00 178.00 177.57 2jo0 h ASP 53 N 0.00 -0.92 -0.09 1.44 3.32 -1.96 -2.29 116.42 115.92 2jo0 h ASP 53 Ca -0.00 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.10 2jo0 h ASP 53 Cb 1.06 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 2jo0 h ASP 53 CO 0.03 -0.56 -0.47 0.00 -1.72 0.00 0.00 179.24 176.53 2jo0 n LYS 55 N -5.04 -0.16 0.21 0.00 5.02 -1.23 -0.24 118.16 116.71 2jo0 n LYS 55 Ca -0.06 1.35 0.06 0.00 -2.02 0.00 0.00 58.31 57.64 2jo0 n LYS 55 Cb 0.33 -2.01 0.45 0.00 -0.02 0.00 0.00 35.03 33.79 2jo0 n LYS 55 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 2jo0 h THR 56 N 0.00 1.01 0.00 -0.18 2.02 -0.91 -2.87 112.91 111.99 2jo0 h THR 56 Ca 0.34 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.43 2jo0 h THR 56 Cb 0.56 1.62 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 2jo0 h THR 56 CO -0.88 0.29 -0.32 0.40 0.37 0.00 0.00 175.52 175.38 2jo0 h ILE 57 N 0.00 0.00 -0.00 3.11 2.04 0.04 -3.38 117.51 119.31 2jo0 h ILE 57 Ca -0.00 -0.76 0.00 0.00 1.00 0.00 0.00 64.86 65.10 2jo0 h ILE 57 Cb 0.60 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.68 2jo0 h ILE 57 CO 0.04 0.00 0.01 -0.07 0.00 0.00 0.00 178.15 178.13 2jo0 h LEU 58 N -0.76 0.00 -0.33 1.44 4.07 -1.05 -1.09 115.31 117.59 2jo0 h LEU 58 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2jo0 h LEU 58 Cb 0.32 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.06 2jo0 h LEU 58 CO 0.00 0.00 0.66 0.11 -1.08 0.00 0.00 178.44 178.13 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.68 -0.33 116.57 117.48 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 0.03 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 2jo0 h LYS 59 CO -0.00 0.00 -0.61 0.00 -1.08 0.00 0.00 179.45 177.76 2jo0 n ALA 60 N -1.40 1.72 -1.64 3.86 0.00 -0.51 -4.81 120.51 117.72 2jo0 n ALA 60 Ca -0.00 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.13 2jo0 n ALA 60 Cb 0.67 0.20 -0.04 0.00 0.00 0.00 0.00 19.45 20.27 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 -1.61 7.01 -2.81 0.00 0.00 -0.15 -4.62 117.00 114.82 2jo0 n LEU 61 Ca 0.00 -4.32 -0.33 0.00 0.00 0.00 0.00 56.01 51.36 2jo0 n LEU 61 Cb 0.30 -1.29 0.01 0.00 0.00 0.00 0.00 43.42 42.44 2jo0 n LEU 61 CO 0.00 1.85 0.83 0.61 0.00 0.00 0.00 177.39 180.68 2jo0 n GLY 62 N 1.31 5.80 0.98 -3.96 0.00 -1.12 -4.32 105.19 103.87 2jo0 n GLY 62 Ca 0.54 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.92 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 0.84 -1.33 1.61 -0.04 -1.26 -4.67 135.00 129.70 2jo0 n PRO 63 Ca 0.45 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.78 2jo0 n PRO 63 Cb 0.43 -1.10 -0.06 0.00 -0.04 0.00 0.00 33.50 32.74 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 0.56 -0.20 -0.23 0.55 0.00 -1.26 -4.65 120.51 115.28 2jo0 n ALA 64 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.65 2jo0 n ALA 64 Cb 0.41 -1.47 0.00 0.00 0.00 0.00 0.00 19.45 18.39 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 0.70 2.40 0.20 0.00 0.00 -1.26 -4.95 120.51 117.59 2jo0 n ALA 65 Ca -0.13 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.47 2jo0 n ALA 65 Cb 0.47 0.00 0.63 0.00 0.00 0.00 0.00 19.45 20.55 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 0.11 -0.83 0.00 2.02 -1.91 -1.19 112.91 111.11 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 0.48 -0.12 0.00 -1.74 0.00 0.00 68.15 66.77 2jo0 h THR 66 CO 0.00 0.00 0.32 0.25 0.37 0.00 0.00 175.52 176.46 2jo0 h LEU 67 N 0.00 0.23 -0.91 2.58 6.46 -1.93 -2.49 115.31 119.25 2jo0 h LEU 67 Ca 0.11 0.15 0.34 0.00 -0.12 0.00 0.00 57.88 58.36 2jo0 h LEU 67 Cb 1.26 0.15 -0.17 0.00 -0.73 0.00 0.00 40.66 41.17 2jo0 h LEU 67 CO -0.00 0.01 0.34 -0.62 -0.62 0.00 0.00 178.44 177.55 2jo0 n GLU 68 N -5.07 -0.06 -0.05 1.25 1.02 -0.45 0.04 120.64 117.32 2jo0 n GLU 68 Ca 0.19 1.29 -0.14 0.00 -0.02 0.00 0.00 57.16 58.48 2jo0 n GLU 68 Cb 0.56 -2.23 -0.13 0.00 -0.02 0.00 0.00 31.44 29.62 2jo0 n GLU 68 CO 0.00 0.00 0.00 1.05 1.18 0.00 0.00 177.13 179.36 2jo0 h GLU 69 N 0.00 0.03 0.00 3.49 4.11 -1.70 -3.39 114.58 117.12 2jo0 h GLU 69 Ca 0.71 -0.05 -0.02 0.00 0.07 0.00 0.00 59.36 60.07 2jo0 h GLU 69 Cb 1.76 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.03 2jo0 h GLU 69 CO -0.75 0.97 -0.07 0.52 0.07 0.00 0.00 179.01 179.75 2jo0 h MET 70 N -0.89 0.00 -0.52 1.06 2.86 -0.15 0.11 114.93 117.39 2jo0 h MET 70 Ca -0.01 0.00 0.09 0.00 -2.06 0.00 0.00 59.70 57.72 2jo0 h MET 70 Cb 1.01 0.00 -0.09 0.00 0.06 0.00 0.00 31.60 32.58 2jo0 h MET 70 CO 0.01 0.07 -0.18 -0.12 1.06 0.00 0.00 176.91 177.76 2jo0 n MET 71 N -4.02 -0.10 0.00 1.72 0.00 0.69 -3.33 117.12 112.09 2jo0 n MET 71 Ca -0.03 0.81 0.00 0.00 -0.00 0.00 0.00 57.70 58.48 2jo0 n MET 71 Cb 0.16 -1.20 0.00 0.00 0.00 0.00 0.00 33.22 32.18 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 -4.80 0.00 0.62 1.12 -1.04 -1.06 -4.20 114.28 104.93 2jo0 n THR 72 Ca 0.06 0.00 0.13 0.00 -2.04 0.00 0.00 64.05 62.20 2jo0 n THR 72 Cb 0.23 -0.32 0.44 0.00 -1.82 0.00 0.00 70.33 68.87 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2jo0 n ALA 73 N -1.00 2.15 0.75 2.41 0.00 0.35 -2.34 120.51 122.82 2jo0 n ALA 73 Ca 0.00 -0.01 0.11 0.00 0.00 0.00 0.00 53.44 53.54 2jo0 n ALA 73 Cb 0.17 -1.45 0.47 0.00 0.00 0.00 0.00 19.45 18.64 2jo0 n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 s GLN 75 N -3.02 3.71 -0.37 0.00 1.03 -0.99 -2.09 119.66 117.93 2jo0 s GLN 75 Ca 0.11 1.69 0.00 0.00 0.04 0.00 0.00 55.36 57.20 2jo0 s GLN 75 Cb 0.14 -4.08 0.00 0.00 0.03 0.00 0.00 33.01 29.10 2jo0 s GLN 75 CO 0.42 -1.40 0.00 0.41 -2.54 0.00 0.00 175.29 172.18 2jo0 n GLY 76 N 4.82 0.51 0.17 2.60 0.00 -1.26 -4.90 105.19 107.13 2jo0 n GLY 76 Ca 0.20 -0.11 0.11 0.00 0.00 0.00 0.00 46.02 46.22 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 0.00 -0.18 1.61 3.04 -1.66 -2.46 116.25 116.60 2jo0 h VAL 77 Ca -0.07 0.00 0.04 0.00 -1.01 0.00 0.00 66.70 65.66 2jo0 h VAL 77 Cb 0.69 0.46 -0.01 0.00 -2.01 0.00 0.00 31.29 30.43 2jo0 h VAL 77 CO 0.11 0.00 0.13 1.23 -1.01 0.00 0.00 177.57 178.02 2jo0 h GLY 78 N 0.00 0.05 0.00 3.17 0.00 -1.91 -3.47 103.07 100.91 2jo0 h GLY 78 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.31 2jo0 h GLY 78 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 176.54 177.16 2jo0 n GLY 79 N -1.56 3.26 3.80 4.60 0.00 -0.93 -5.16 105.19 109.20 2jo0 n GLY 79 Ca 0.01 -0.91 -0.34 0.00 0.00 0.00 0.00 46.02 44.78 2jo0 n GLY 79 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2jo0 s PRO 80 N -2.07 3.73 0.00 1.61 0.04 -1.26 -5.02 135.00 132.03 2jo0 s PRO 80 Ca 0.00 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.33 2jo0 s PRO 80 Cb 0.00 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.45 2jo0 s PRO 80 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 2jo0 n GLY 81 N -0.51 1.36 1.99 0.56 0.00 -1.26 -5.02 105.19 102.31 2jo0 n GLY 81 Ca 0.09 -0.91 -0.02 0.00 0.00 0.00 0.00 46.02 45.18 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 -0.49 0.00 -2.15 1.61 1.44 -1.26 -4.87 115.22 109.49 2jo0 n HIS 82 Ca 0.00 -0.51 -0.36 0.00 -2.01 0.00 0.00 57.72 54.84 2jo0 n HIS 82 Cb 0.00 -0.58 -0.03 0.00 0.12 0.00 0.00 29.99 29.49 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 1.56 2.76 1.18 -1.40 2.36 -1.26 -4.99 119.74 119.95 2jo0 s LYS 83 Ca 0.12 0.15 -0.13 0.00 -2.55 0.00 0.00 55.97 53.56 2jo0 s LYS 83 Cb 0.06 -4.58 0.28 0.00 -1.05 0.00 0.00 37.83 32.54 2jo0 s LYS 83 CO 0.00 -2.76 0.94 0.00 1.55 0.00 0.00 175.35 175.08 2jo0 n ALA 84 N 12.27 -3.02 -2.15 3.13 0.00 -1.26 -5.10 120.51 124.38 2jo0 n ALA 84 Ca 0.23 -1.20 -0.10 0.00 0.00 0.00 0.00 53.44 52.38 2jo0 n ALA 84 Cb 0.50 -1.96 -0.10 0.00 0.00 0.00 0.00 19.45 17.89 2jo0 n ALA 84 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2jo0 s ARG 85 N -4.33 0.80 0.00 0.00 1.81 -1.26 -5.05 118.95 110.92 2jo0 s ARG 85 Ca 0.68 -1.32 0.00 0.00 -1.72 0.00 0.00 55.73 53.37 2jo0 s ARG 85 Cb -0.25 -0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.18 2jo0 s ARG 85 CO 0.65 -0.06 0.00 1.33 -0.68 0.00 0.00 175.30 176.54 2jo0 n VAL 86 N -0.02 0.00 -0.66 3.52 0.24 -1.26 -5.35 118.33 114.80 2jo0 n VAL 86 Ca -0.12 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.18 2jo0 n VAL 86 Cb 0.61 -0.01 0.00 0.00 -1.47 0.00 0.00 33.84 32.97 2jo0 n VAL 86 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87