#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jo0 s SER 2 N 0.00 0.01 1.00 3.17 0.01 -1.26 -5.18 113.70 111.46 2jo0 s SER 2 Ca 0.00 -0.54 -0.12 0.00 1.31 0.00 0.00 55.95 56.60 2jo0 s SER 2 Cb 0.00 0.38 0.19 0.00 0.21 0.00 0.00 66.02 66.79 2jo0 s SER 2 CO 0.00 -0.75 1.09 -2.16 0.41 0.00 0.00 173.24 171.82 2jo0 s PRO 3 N -3.77 0.43 -1.25 12.44 0.04 -1.26 -4.97 135.00 136.67 2jo0 s PRO 3 Ca 0.04 0.63 -0.08 0.00 0.04 0.00 0.00 61.00 61.63 2jo0 s PRO 3 Cb 0.04 -1.73 0.19 0.00 0.04 0.00 0.00 34.50 33.04 2jo0 s PRO 3 CO -0.11 -2.76 1.87 0.25 0.04 0.00 0.00 177.00 176.30 2jo0 n THR 4 N -4.21 4.68 -0.49 1.26 -2.24 -1.26 -5.02 114.28 107.00 2jo0 n THR 4 Ca 0.05 -4.70 -0.29 0.00 -2.27 0.00 0.00 64.05 56.85 2jo0 n THR 4 Cb 0.56 -2.25 0.24 0.00 -2.10 0.00 0.00 70.33 66.78 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 3.04 -2.41 0.00 3.42 7.64 -1.26 -4.22 113.62 119.82 2jo0 n SER 5 Ca 0.40 -0.29 0.00 0.00 1.01 0.00 0.00 58.87 59.99 2jo0 n SER 5 Cb 0.34 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.44 2jo0 n SER 5 CO 0.00 0.00 0.00 2.30 -3.01 0.00 0.00 175.04 174.33 2jo0 n ILE 6 N -4.95 0.00 0.52 0.44 -6.64 -1.26 -4.80 119.36 102.66 2jo0 n ILE 6 Ca 0.03 -0.01 0.01 0.00 -1.77 0.00 0.00 62.75 61.01 2jo0 n ILE 6 Cb 0.56 0.29 0.03 0.00 -1.44 0.00 0.00 39.64 39.08 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.18 -1.77 0.00 0.00 176.55 174.96 2jo0 n LEU 7 N -0.80 0.00 0.00 7.28 4.77 -1.26 -0.92 117.00 126.07 2jo0 n LEU 7 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2jo0 n LEU 7 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2jo0 n LEU 7 CO 0.00 0.00 -0.23 -0.90 -1.33 0.00 0.00 177.39 174.93 2jo0 n ASP 8 N -0.57 2.25 -0.74 -1.43 5.68 -1.26 -4.62 116.55 115.86 2jo0 n ASP 8 Ca 0.01 0.00 -0.00 0.00 -0.50 0.00 0.00 54.79 54.30 2jo0 n ASP 8 Cb 0.00 0.23 0.02 0.00 -1.14 0.00 0.00 41.12 40.23 2jo0 n ASP 8 CO 0.00 0.00 0.00 2.30 -1.33 0.00 0.00 177.20 178.17 2jo0 n ILE 9 N -1.17 0.48 -1.66 2.12 -5.35 -0.10 -4.95 119.36 108.73 2jo0 n ILE 9 Ca 0.00 -0.11 -0.62 0.00 -0.27 0.00 0.00 62.75 61.75 2jo0 n ILE 9 Cb 0.22 -0.63 -0.09 0.00 -1.74 0.00 0.00 39.64 37.41 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 0.15 0.33 -0.09 6.28 5.12 -1.24 -4.91 116.66 122.29 2jo0 n ARG 10 Ca 0.03 0.12 -0.19 0.00 -1.93 0.00 0.00 57.85 55.87 2jo0 n ARG 10 Cb 0.40 -1.67 -0.07 0.00 -1.16 0.00 0.00 32.46 29.96 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 3.43 0.40 0.00 5.56 7.27 -1.26 -5.10 117.38 127.69 2jo0 n GLN 11 Ca 0.26 0.16 0.00 0.00 0.07 0.00 0.00 57.00 57.49 2jo0 n GLN 11 Cb 0.04 -1.19 0.00 0.00 2.41 0.00 0.00 30.24 31.49 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 1.94 0.67 1.42 1.69 0.00 -1.26 -5.01 105.19 104.65 2jo0 n GLY 12 Ca -0.36 -0.63 0.00 0.00 0.00 0.00 0.00 46.02 45.02 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 0.39 0.28 1.61 -0.04 -1.26 -4.04 135.00 131.94 2jo0 n PRO 13 Ca 0.00 0.00 0.17 0.00 -0.04 0.00 0.00 63.50 63.63 2jo0 n PRO 13 Cb 0.00 -1.31 0.79 0.00 -0.04 0.00 0.00 33.50 32.94 2jo0 n PRO 13 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2jo0 h LYS 14 N 2.07 0.00 0.00 0.54 1.57 -1.95 -3.44 116.57 115.37 2jo0 h LYS 14 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2jo0 h LYS 14 Cb 0.39 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.70 2jo0 h LYS 14 CO 0.00 0.04 0.00 -1.91 -0.57 0.00 0.00 179.45 177.01 2jo0 n GLU 15 N -3.19 0.00 -1.98 3.15 0.00 -1.26 -4.62 120.64 112.75 2jo0 n GLU 15 Ca -0.01 0.00 -0.42 0.00 0.00 0.00 0.00 57.16 56.74 2jo0 n GLU 15 Cb 0.26 0.00 -0.03 0.00 0.00 0.00 0.00 31.44 31.67 2jo0 n GLU 15 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.13 175.88 2jo0 s PRO 16 N -2.00 4.24 0.00 5.31 0.04 -1.26 -3.95 135.00 137.38 2jo0 s PRO 16 Ca 0.00 2.31 0.00 0.00 0.04 0.00 0.00 61.00 63.35 2jo0 s PRO 16 Cb 0.00 -3.15 0.00 0.00 0.04 0.00 0.00 34.50 31.39 2jo0 s PRO 16 CO 0.00 -0.54 0.00 1.19 0.04 0.00 0.00 177.00 177.69 2jo0 n PHE 17 N 3.55 0.00 -0.35 0.56 3.01 -1.26 -4.65 117.46 118.32 2jo0 n PHE 17 Ca 0.12 0.00 0.06 0.00 1.01 0.00 0.00 57.45 58.63 2jo0 n PHE 17 Cb 0.39 0.00 0.23 0.00 -0.01 0.00 0.00 39.48 40.10 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 1.00 0.00 -1.08 -0.00 -1.92 0.20 114.38 112.59 2jo0 h ARG 18 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 59.98 59.92 2jo0 h ARG 18 Cb 0.00 -0.23 0.00 0.00 -0.00 0.00 0.00 29.97 29.74 2jo0 h ARG 18 CO 0.00 0.66 0.00 -0.44 -0.00 0.00 0.00 179.97 180.19 2jo0 h ASP 19 N 1.03 0.00 0.00 0.08 5.19 -1.98 -3.04 116.42 117.70 2jo0 h ASP 19 Ca 0.45 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.86 2jo0 h ASP 19 Cb 0.36 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.87 2jo0 h ASP 19 CO -0.21 0.00 -0.28 0.00 -3.12 0.00 0.00 179.24 175.62 2jo0 n TYR 20 N -2.75 0.00 -0.24 4.55 9.36 -0.96 -4.77 117.16 122.35 2jo0 n TYR 20 Ca -0.02 0.00 -0.01 0.00 3.32 0.00 0.00 57.90 61.19 2jo0 n TYR 20 Cb 0.09 0.00 0.20 0.00 -0.63 0.00 0.00 39.34 39.00 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 1.21 -0.93 2.97 3.04 -0.65 0.19 116.25 122.09 2jo0 h VAL 21 Ca 0.00 -0.45 0.01 0.00 -1.01 0.00 0.00 66.70 65.25 2jo0 h VAL 21 Cb 0.28 0.11 -0.05 0.00 -2.01 0.00 0.00 31.29 29.62 2jo0 h VAL 21 CO 0.00 0.22 0.61 0.44 -1.01 0.00 0.00 177.57 177.83 2jo0 h ASP 22 N 1.07 1.05 0.47 3.17 5.19 -1.75 -1.21 116.42 124.42 2jo0 h ASP 22 Ca 0.28 -0.02 -0.22 0.00 -0.62 0.00 0.00 57.03 56.45 2jo0 h ASP 22 Cb -0.06 -0.26 -0.00 0.00 0.18 0.00 0.00 39.33 39.19 2jo0 h ASP 22 CO -0.05 0.76 -0.94 0.03 -3.12 0.00 0.00 179.24 175.91 2jo0 h ARG 23 N 1.24 0.30 0.10 3.56 2.47 -1.60 -2.89 114.38 117.57 2jo0 h ARG 23 Ca 0.34 -0.35 -0.01 0.00 -1.26 0.00 0.00 59.98 58.71 2jo0 h ARG 23 Cb -0.13 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2jo0 h ARG 23 CO -0.08 1.05 -0.05 0.35 0.56 0.00 0.00 179.97 181.80 2jo0 h PHE 24 N 0.16 -0.13 0.00 3.04 3.04 -0.40 -3.31 116.94 119.34 2jo0 h PHE 24 Ca -0.07 -0.00 -0.11 0.00 3.98 0.00 0.00 57.97 61.76 2jo0 h PHE 24 Cb 1.59 0.04 -0.02 0.00 2.56 0.00 0.00 35.95 40.12 2jo0 h PHE 24 CO 0.05 -0.08 -0.54 1.88 -2.02 0.00 0.00 178.31 177.60 2jo0 h TYR 25 N -0.17 0.00 -0.94 0.41 0.05 -1.37 0.11 116.97 115.06 2jo0 h TYR 25 Ca -0.01 0.00 0.25 0.00 0.05 0.00 0.00 58.73 59.01 2jo0 h TYR 25 Cb 0.11 0.00 -0.06 0.00 1.01 0.00 0.00 36.73 37.79 2jo0 h TYR 25 CO 0.15 0.54 0.65 -0.22 -1.05 0.00 0.00 178.16 178.23 2jo0 h LYS 26 N 0.00 0.19 0.00 4.88 3.11 -1.67 -2.96 116.57 120.12 2jo0 h LYS 26 Ca -0.01 -0.01 -0.18 0.00 -2.81 0.00 0.00 60.65 57.65 2jo0 h LYS 26 Cb 1.00 -0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 32.16 2jo0 h LYS 26 CO 0.07 0.13 -1.49 2.41 -2.81 0.00 0.00 179.45 177.76 2jo0 n THR 27 N -4.40 1.37 -0.33 1.00 -1.04 -0.77 -4.66 114.28 105.46 2jo0 n THR 27 Ca 0.20 -0.04 0.19 0.00 -2.04 0.00 0.00 64.05 62.36 2jo0 n THR 27 Cb 0.88 -2.04 0.38 0.00 -1.82 0.00 0.00 70.33 67.73 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 -0.83 -0.21 0.00 -4.42 7.12 -0.86 -3.22 115.31 112.89 2jo0 h LEU 28 Ca -0.27 0.27 0.00 0.00 0.13 0.00 0.00 57.88 58.01 2jo0 h LEU 28 Cb 1.14 0.40 0.00 0.00 -0.53 0.00 0.00 40.66 41.67 2jo0 h LEU 28 CO -0.16 -0.36 0.00 -2.11 -0.13 0.00 0.00 178.44 175.68 2jo0 n ARG 29 N -5.40 0.00 0.07 1.25 -4.01 -1.12 -1.78 116.66 105.67 2jo0 n ARG 29 Ca 0.27 0.00 -0.05 0.00 -1.04 0.00 0.00 57.85 57.03 2jo0 n ARG 29 Cb 0.90 -1.08 -0.10 0.00 -3.04 0.00 0.00 32.46 29.15 2jo0 n ARG 29 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2jo0 h ALA 30 N 0.56 0.43 -2.30 2.89 0.00 -1.90 -3.43 119.26 115.52 2jo0 h ALA 30 Ca 0.00 -0.86 -0.31 0.00 0.00 0.00 0.00 54.91 53.74 2jo0 h ALA 30 Cb 0.00 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 17.53 2jo0 h ALA 30 CO 0.00 1.16 -0.65 -1.83 0.00 0.00 0.00 179.25 177.93 2jo0 s GLU 31 N -2.75 1.20 0.00 0.00 -1.05 -0.73 -4.81 118.70 110.56 2jo0 s GLU 31 Ca 0.01 -1.60 0.00 0.00 -0.15 0.00 0.00 54.97 53.23 2jo0 s GLU 31 Cb 0.09 -0.28 0.00 0.00 -0.44 0.00 0.00 34.13 33.51 2jo0 s GLU 31 CO 0.81 -0.17 0.00 0.00 0.95 0.00 0.00 175.26 176.84 2jo0 n GLN 32 N -0.31 -1.69 -1.55 -4.83 0.00 -1.26 -4.84 117.38 102.91 2jo0 n GLN 32 Ca -0.05 0.13 -0.13 0.00 0.00 0.00 0.00 57.00 56.95 2jo0 n GLN 32 Cb 0.64 -3.10 -0.09 0.00 0.00 0.00 0.00 30.24 27.69 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2jo0 n ALA 33 N 0.42 0.32 -3.62 2.61 0.00 -1.26 -4.89 120.51 114.09 2jo0 n ALA 33 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 53.44 51.68 2jo0 n ALA 33 Cb 0.13 -3.17 -0.03 0.00 0.00 0.00 0.00 19.45 16.38 2jo0 n ALA 33 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2jo0 s SER 34 N 9.13 -0.29 -0.25 0.00 0.15 -1.26 -5.02 113.70 116.16 2jo0 s SER 34 Ca 0.88 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 57.01 2jo0 s SER 34 Cb -0.13 0.67 0.31 0.00 -1.71 0.00 0.00 66.02 65.16 2jo0 s SER 34 CO 0.14 -1.22 1.59 0.00 1.20 0.00 0.00 173.24 174.95 2jo0 n GLN 35 N -0.42 1.68 -1.68 5.44 6.02 -1.26 -4.98 117.38 122.18 2jo0 n GLN 35 Ca -0.07 -1.54 -0.47 0.00 -0.01 0.00 0.00 57.00 54.91 2jo0 n GLN 35 Cb 0.61 -1.61 -0.04 0.00 1.02 0.00 0.00 30.24 30.22 2jo0 n GLN 35 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2jo0 n GLU 36 N -0.19 2.25 0.24 -1.09 2.13 -1.26 -4.89 120.64 117.82 2jo0 n GLU 36 Ca 0.30 0.82 0.07 0.00 0.66 0.00 0.00 57.16 59.01 2jo0 n GLU 36 Cb 0.98 -2.65 0.58 0.00 0.27 0.00 0.00 31.44 30.62 2jo0 n GLU 36 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 2jo0 h VAL 37 N 4.79 1.05 0.00 6.31 3.04 -2.01 -2.73 116.25 126.70 2jo0 h VAL 37 Ca -0.47 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.00 2jo0 h VAL 37 Cb 1.26 1.09 0.00 0.00 -2.01 0.00 0.00 31.29 31.63 2jo0 h VAL 37 CO 0.93 0.07 0.00 0.29 -1.01 0.00 0.00 177.57 177.84 2jo0 n LYS 38 N -4.46 0.68 0.27 4.17 5.02 -1.26 -4.66 118.16 117.91 2jo0 n LYS 38 Ca -0.03 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.39 2jo0 n LYS 38 Cb 0.14 -1.28 0.68 0.00 -0.02 0.00 0.00 35.03 34.56 2jo0 n LYS 38 CO 0.00 0.00 0.00 -2.95 -0.52 0.00 0.00 177.40 173.93 2jo0 h ASN 39 N 0.44 0.00 0.00 4.39 -1.07 -1.83 -0.35 115.58 117.16 2jo0 h ASN 39 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 2jo0 h ASN 39 Cb 0.46 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.71 2jo0 h ASN 39 CO 0.00 0.00 0.05 0.00 0.07 0.00 0.00 177.43 177.55 2jo0 h ALA 40 N 1.39 1.03 0.00 4.14 0.00 -1.83 -2.68 119.26 121.31 2jo0 h ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2jo0 h ALA 40 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.34 2jo0 h ALA 40 CO 0.00 -0.03 0.00 -1.33 0.00 0.00 0.00 179.25 177.89 2jo0 n MET 41 N -2.32 0.01 -4.22 0.00 2.81 -0.14 -4.79 117.12 108.47 2jo0 n MET 41 Ca -0.02 0.16 -0.17 0.00 -1.81 0.00 0.00 57.70 55.87 2jo0 n MET 41 Cb 0.08 -1.50 -0.08 0.00 -0.71 0.00 0.00 33.22 31.02 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 -2.33 0.00 -1.01 2.03 -4.23 -1.01 -5.02 115.64 104.07 2jo0 s THR 42 Ca 0.01 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.61 2jo0 s THR 42 Cb 0.00 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.32 2jo0 s THR 42 CO 0.01 0.00 0.91 -1.84 -0.54 0.00 0.00 174.62 173.16 2jo0 n GLU 43 N -0.54 0.00 -0.06 3.99 0.00 -1.26 -4.45 120.64 118.32 2jo0 n GLU 43 Ca 0.05 0.42 -0.02 0.00 0.00 0.00 0.00 57.16 57.61 2jo0 n GLU 43 Cb 0.63 -1.54 -0.00 0.00 0.00 0.00 0.00 31.44 30.53 2jo0 n GLU 43 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2jo0 n THR 44 N -1.41 0.19 0.09 3.84 -1.04 -1.26 -4.82 114.28 109.87 2jo0 n THR 44 Ca 0.00 -0.11 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 2jo0 n THR 44 Cb 0.04 -1.55 0.01 0.00 -1.82 0.00 0.00 70.33 67.01 2jo0 n THR 44 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2jo0 n LEU 45 N 4.93 0.00 0.00 -4.42 4.32 -1.26 -4.33 117.00 116.24 2jo0 n LEU 45 Ca 0.03 0.00 -0.04 0.00 -0.02 0.00 0.00 56.01 55.98 2jo0 n LEU 45 Cb 0.01 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.83 2jo0 n LEU 45 CO 0.51 0.00 0.66 0.00 -1.22 0.00 0.00 177.39 177.34 2jo0 n LEU 46 N -0.60 0.00 -3.70 2.23 -0.00 -1.26 -4.97 117.00 108.70 2jo0 n LEU 46 Ca 0.00 -1.67 -0.16 0.00 -0.00 0.00 0.00 56.01 54.18 2jo0 n LEU 46 Cb 0.00 2.87 -0.16 0.00 -0.00 0.00 0.00 43.42 46.14 2jo0 n LEU 46 CO 0.00 -0.56 -0.26 -0.69 -0.00 0.00 0.00 177.39 175.89 2jo0 s VAL 47 N -2.13 -0.17 0.09 1.47 1.01 -1.26 -5.00 120.40 114.41 2jo0 s VAL 47 Ca 0.19 0.31 -0.28 0.00 0.00 0.00 0.00 61.98 62.20 2jo0 s VAL 47 Cb -0.03 -0.25 -0.14 0.00 0.00 0.00 0.00 36.38 35.96 2jo0 s VAL 47 CO 0.07 0.13 1.66 1.56 0.00 0.00 0.00 175.10 178.52 2jo0 h GLN 48 N 8.01 -0.49 0.00 2.72 4.20 -1.96 -2.87 115.11 124.72 2jo0 h GLN 48 Ca -0.23 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.51 2jo0 h GLN 48 Cb 1.12 0.11 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2jo0 h GLN 48 CO 0.24 -0.33 0.00 -1.71 -0.67 0.00 0.00 178.83 176.36 2jo0 n ASN 49 N -5.34 0.00 -4.61 1.46 5.15 -1.26 -4.76 115.26 105.91 2jo0 n ASN 49 Ca -0.09 -0.15 -0.29 0.00 -0.60 0.00 0.00 54.58 53.44 2jo0 n ASN 49 Cb 0.25 -0.06 0.20 0.00 -0.53 0.00 0.00 39.78 39.64 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 -2.12 0.50 0.22 5.20 0.00 -1.08 -4.95 121.76 119.53 2jo0 s ALA 50 Ca 0.11 -0.12 0.09 0.00 0.00 0.00 0.00 51.96 52.03 2jo0 s ALA 50 Cb 0.05 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 2jo0 s ALA 50 CO 0.09 -3.17 -0.04 0.54 0.00 0.00 0.00 175.76 173.19 2jo0 s ASN 51 N -2.99 4.48 0.49 0.00 4.22 -1.26 -4.97 114.94 114.91 2jo0 s ASN 51 Ca 0.66 -0.58 0.16 0.00 -2.14 0.00 0.00 52.86 50.96 2jo0 s ASN 51 Cb -0.21 -0.83 1.18 0.00 1.28 0.00 0.00 41.25 42.67 2jo0 s ASN 51 CO 0.60 0.05 2.08 1.55 -2.04 0.00 0.00 177.10 179.35 2jo0 h PRO 52 N 2.39 0.16 0.00 3.55 0.13 -1.98 -2.34 132.00 133.90 2jo0 h PRO 52 Ca -0.46 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2jo0 h PRO 52 Cb 1.23 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2jo0 h PRO 52 CO 0.58 0.10 0.00 -0.40 -0.23 0.00 0.00 178.00 178.05 2jo0 n ASP 53 N -4.49 0.00 -0.32 1.44 5.75 -1.26 -1.03 116.55 116.64 2jo0 n ASP 53 Ca 0.02 0.94 0.02 0.00 -0.01 0.00 0.00 54.79 55.76 2jo0 n ASP 53 Cb 0.21 -0.44 0.20 0.00 -1.03 0.00 0.00 41.12 40.06 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 1.13 0.03 0.00 0.00 1.57 -1.46 -0.25 116.57 117.59 2jo0 h LYS 55 Ca 0.38 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.16 2jo0 h LYS 55 Cb 0.08 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.39 2jo0 h LYS 55 CO -0.13 0.02 0.00 1.15 -0.57 0.00 0.00 179.45 179.92 2jo0 h THR 56 N 0.03 0.00 0.00 -0.16 2.02 -0.07 -2.89 112.91 111.84 2jo0 h THR 56 Ca 0.16 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 67.02 2jo0 h THR 56 Cb 0.23 1.22 0.00 0.00 -1.74 0.00 0.00 68.15 67.87 2jo0 h THR 56 CO -0.31 0.00 -0.10 0.40 0.37 0.00 0.00 175.52 175.88 2jo0 h ILE 57 N 0.00 0.00 0.00 3.11 2.04 -0.09 -3.37 117.51 119.21 2jo0 h ILE 57 Ca 0.00 -0.73 0.00 0.00 1.00 0.00 0.00 64.86 65.13 2jo0 h ILE 57 Cb 0.34 0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.42 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 -0.73 0.00 -1.68 1.44 4.07 -1.19 0.16 115.31 117.38 2jo0 h LEU 58 Ca 0.00 0.00 0.10 0.00 0.08 0.00 0.00 57.88 58.06 2jo0 h LEU 58 Cb 0.10 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.82 2jo0 h LEU 58 CO 0.00 0.00 0.58 0.11 -1.08 0.00 0.00 178.44 178.05 2jo0 h LYS 59 N 0.00 0.00 0.00 1.13 1.79 -1.63 -0.61 116.57 117.24 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 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 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 -2.12 1.63 -2.79 3.86 0.00 0.43 -4.72 120.51 116.80 2jo0 n ALA 60 Ca 0.06 -0.81 -0.02 0.00 0.00 0.00 0.00 53.44 52.68 2jo0 n ALA 60 Cb 0.72 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.23 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 -0.31 1.22 -3.33 0.00 0.00 -0.29 -4.97 117.00 109.32 2jo0 n LEU 61 Ca 0.00 -3.19 -0.35 0.00 0.00 0.00 0.00 56.01 52.47 2jo0 n LEU 61 Cb 0.34 0.43 -0.00 0.00 0.00 0.00 0.00 43.42 44.18 2jo0 n LEU 61 CO 0.00 1.22 0.90 0.61 0.00 0.00 0.00 177.39 180.12 2jo0 n GLY 62 N -0.56 5.92 1.23 -3.96 0.00 -0.91 -4.55 105.19 102.37 2jo0 n GLY 62 Ca 0.05 -2.67 0.00 0.00 0.00 0.00 0.00 46.02 43.41 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 -0.15 0.76 -0.68 1.61 -0.04 -1.26 -4.80 135.00 130.44 2jo0 n PRO 63 Ca 0.41 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.84 2jo0 n PRO 63 Cb 0.32 -1.12 -0.01 0.00 -0.04 0.00 0.00 33.50 32.65 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 0.99 -0.03 0.04 0.55 0.00 -1.26 -4.47 120.51 116.33 2jo0 n ALA 64 Ca 0.00 0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2jo0 n ALA 64 Cb 0.38 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 18.96 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 0.48 3.00 0.32 0.00 0.00 -1.26 -4.80 120.51 118.25 2jo0 n ALA 65 Ca -0.02 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.60 2jo0 n ALA 65 Cb 0.28 0.00 0.95 0.00 0.00 0.00 0.00 19.45 20.69 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 -0.72 0.00 2.02 -1.95 -1.19 112.91 111.08 2jo0 h THR 66 Ca 0.00 0.00 0.16 0.00 0.77 0.00 0.00 66.41 67.34 2jo0 h THR 66 Cb 0.00 0.77 -0.12 0.00 -1.74 0.00 0.00 68.15 67.06 2jo0 h THR 66 CO 0.00 0.00 0.01 0.25 0.37 0.00 0.00 175.52 176.15 2jo0 h LEU 67 N 0.00 -0.32 -1.19 2.58 6.46 -1.87 -2.36 115.31 118.62 2jo0 h LEU 67 Ca 0.00 0.18 0.29 0.00 -0.12 0.00 0.00 57.88 58.24 2jo0 h LEU 67 Cb 0.38 0.32 -0.12 0.00 -0.73 0.00 0.00 40.66 40.51 2jo0 h LEU 67 CO 0.00 -0.16 0.65 -0.33 -0.62 0.00 0.00 178.44 177.98 2jo0 h GLU 68 N 0.11 0.38 0.17 1.25 5.08 -1.55 0.32 114.58 120.35 2jo0 h GLU 68 Ca 0.39 -0.02 -0.25 0.00 -1.00 0.00 0.00 59.36 58.47 2jo0 h GLU 68 Cb 0.67 -0.09 0.03 0.00 0.50 0.00 0.00 28.75 29.86 2jo0 h GLU 68 CO -0.62 0.25 -1.10 1.05 -1.00 0.00 0.00 179.01 177.59 2jo0 h GLU 69 N 0.39 0.44 -0.10 2.33 4.11 -1.68 -3.37 114.58 116.69 2jo0 h GLU 69 Ca 0.67 -0.70 -0.05 0.00 0.07 0.00 0.00 59.36 59.34 2jo0 h GLU 69 Cb 1.60 0.25 -0.01 0.00 0.50 0.00 0.00 28.75 31.10 2jo0 h GLU 69 CO -0.43 1.33 -0.18 0.52 0.07 0.00 0.00 179.01 180.31 2jo0 h MET 70 N -0.09 0.17 -0.82 1.06 2.86 -0.11 0.11 114.93 118.11 2jo0 h MET 70 Ca -0.19 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.53 2jo0 h MET 70 Cb 1.85 -0.02 -0.13 0.00 0.06 0.00 0.00 31.60 33.36 2jo0 h MET 70 CO 0.21 0.36 -0.44 1.98 1.06 0.00 0.00 176.91 180.07 2jo0 h MET 71 N 0.16 -0.09 -0.00 1.72 -1.53 -0.71 -3.21 114.93 111.27 2jo0 h MET 71 Ca 0.03 0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.30 2jo0 h MET 71 Cb 0.42 0.02 0.00 0.00 -0.55 0.00 0.00 31.60 31.50 2jo0 h MET 71 CO 0.03 -0.06 -0.13 0.25 0.14 0.00 0.00 176.91 177.14 2jo0 n THR 72 N -5.40 0.00 -0.00 -0.77 -2.24 -1.17 -4.41 114.28 100.28 2jo0 n THR 72 Ca 0.05 -0.43 0.22 0.00 -2.27 0.00 0.00 64.05 61.62 2jo0 n THR 72 Cb 0.35 1.01 0.72 0.00 -2.10 0.00 0.00 70.33 70.31 2jo0 n THR 72 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2jo0 h ALA 73 N 0.44 2.43 -0.93 6.98 0.00 -0.78 -0.73 119.26 126.68 2jo0 h ALA 73 Ca 0.00 -0.02 0.26 0.00 0.00 0.00 0.00 54.91 55.15 2jo0 h ALA 73 Cb 0.08 0.04 -0.16 0.00 0.00 0.00 0.00 17.79 17.74 2jo0 h ALA 73 CO 0.00 -0.75 0.11 0.00 0.00 0.00 0.00 179.25 178.61 2jo0 h GLN 75 N 0.07 0.00 -0.71 0.00 -0.00 -1.47 -2.94 115.11 110.06 2jo0 h GLN 75 Ca 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.23 2jo0 h GLN 75 Cb 1.19 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.67 2jo0 h GLN 75 CO -0.81 0.44 0.00 0.41 -0.00 0.00 0.00 178.83 178.88 2jo0 n GLY 76 N 0.22 2.50 0.22 0.06 0.00 -0.79 -4.45 105.19 102.95 2jo0 n GLY 76 Ca -0.01 -0.81 0.06 0.00 0.00 0.00 0.00 46.02 45.27 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 4.20 1.04 0.00 1.61 3.04 -1.31 -3.47 116.25 121.36 2jo0 h VAL 77 Ca 0.00 -0.88 0.00 0.00 -1.01 0.00 0.00 66.70 64.81 2jo0 h VAL 77 Cb 1.14 1.49 0.00 0.00 -2.01 0.00 0.00 31.29 31.91 2jo0 h VAL 77 CO 0.08 0.24 0.00 0.61 -1.01 0.00 0.00 177.57 177.49 2jo0 n GLY 78 N -0.69 0.73 0.00 3.17 0.00 -1.26 -4.79 105.19 102.35 2jo0 n GLY 78 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 4.13 0.11 -0.02 0.00 -1.26 -4.98 105.19 103.17 2jo0 n GLY 79 Ca 0.00 -1.57 0.13 0.00 0.00 0.00 0.00 46.02 44.57 2jo0 n GLY 79 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jo0 h PRO 80 N 0.00 0.00 0.00 1.61 0.13 -2.02 -3.49 132.00 128.23 2jo0 h PRO 80 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2jo0 h PRO 80 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2jo0 h PRO 80 CO 0.00 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.18 2jo0 n GLY 81 N 1.29 2.76 0.00 1.56 0.00 -1.26 -5.01 105.19 104.53 2jo0 n GLY 81 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 45.03 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 -1.09 0.00 -1.00 1.61 1.44 -1.26 -4.17 115.22 110.75 2jo0 n HIS 82 Ca 0.00 0.00 -0.13 0.00 -2.01 0.00 0.00 57.72 55.58 2jo0 n HIS 82 Cb 0.00 -0.14 -0.16 0.00 0.12 0.00 0.00 29.99 29.81 2jo0 n HIS 82 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2jo0 n LYS 83 N -1.14 2.05 -0.33 -1.40 0.00 -1.26 -4.96 118.16 111.12 2jo0 n LYS 83 Ca 0.00 -1.04 -0.28 0.00 0.00 0.00 0.00 58.31 56.98 2jo0 n LYS 83 Cb 0.00 -2.03 0.27 0.00 0.00 0.00 0.00 35.03 33.26 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 2.57 -4.12 -2.87 3.14 0.00 -1.26 -5.11 120.51 112.86 2jo0 n ALA 84 Ca 0.44 -1.66 -0.11 0.00 0.00 0.00 0.00 53.44 52.11 2jo0 n ALA 84 Cb 0.87 -1.57 -0.07 0.00 0.00 0.00 0.00 19.45 18.67 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 -4.63 0.83 0.86 0.00 3.52 -1.26 -5.18 118.95 113.09 2jo0 s ARG 85 Ca 0.63 -0.66 -0.15 0.00 -0.13 0.00 0.00 55.73 55.42 2jo0 s ARG 85 Cb -0.14 0.35 0.21 0.00 -1.56 0.00 0.00 34.95 33.81 2jo0 s ARG 85 CO 0.56 -0.27 0.91 1.55 -0.81 0.00 0.00 175.30 177.24 2jo0 n VAL 86 N 0.34 0.00 0.00 7.11 3.14 -1.26 -5.30 118.33 122.36 2jo0 n VAL 86 Ca -0.17 -0.52 0.00 0.00 -2.96 0.00 0.00 64.34 60.68 2jo0 n VAL 86 Cb 0.61 -1.36 0.00 0.00 -1.06 0.00 0.00 33.84 32.03 2jo0 n VAL 86 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26