#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 -0.63 -1.21 3.17 1.04 -1.26 -5.07 113.70 109.74 2jo0 s SER 2 Ca 0.00 0.78 -0.15 0.00 0.48 0.00 0.00 55.95 57.06 2jo0 s SER 2 Cb 0.00 0.64 -0.05 0.00 0.10 0.00 0.00 66.02 66.71 2jo0 s SER 2 CO 0.00 -0.52 2.23 -0.81 0.98 0.00 0.00 173.24 175.12 2jo0 n PRO 3 N 1.14 2.48 0.00 4.02 -0.04 -1.26 -4.12 135.00 137.22 2jo0 n PRO 3 Ca -0.17 -2.17 0.00 0.00 -0.04 0.00 0.00 63.50 61.11 2jo0 n PRO 3 Cb 0.57 -3.00 0.00 0.00 -0.04 0.00 0.00 33.50 31.03 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 5.04 0.00 -3.34 0.52 -2.24 -1.26 -5.11 114.28 107.88 2jo0 n THR 4 Ca 0.54 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.32 2jo0 n THR 4 Cb 0.34 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.57 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 -0.06 0.00 -0.00 3.42 7.64 -1.26 -5.06 113.62 118.30 2jo0 n SER 5 Ca 0.00 -0.92 -0.00 0.00 1.01 0.00 0.00 58.87 58.96 2jo0 n SER 5 Cb 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.03 0.00 0.44 -6.64 -1.26 -4.84 119.36 107.09 2jo0 n ILE 6 Ca 0.00 -0.02 0.00 0.00 -1.77 0.00 0.00 62.75 60.96 2jo0 n ILE 6 Cb 0.00 -0.51 0.00 0.00 -1.44 0.00 0.00 39.64 37.69 2jo0 n ILE 6 CO 0.00 0.00 0.00 0.00 -1.77 0.00 0.00 176.55 174.78 2jo0 n LEU 7 N -1.86 0.00 0.07 7.28 -0.00 -1.26 -1.51 117.00 119.72 2jo0 n LEU 7 Ca -0.01 0.00 0.12 0.00 -0.00 0.00 0.00 56.01 56.12 2jo0 n LEU 7 Cb 0.36 0.00 0.03 0.00 -0.00 0.00 0.00 43.42 43.81 2jo0 n LEU 7 CO 0.01 0.00 0.04 -0.90 -0.00 0.00 0.00 177.39 176.54 2jo0 n ASP 8 N -0.45 0.70 -4.89 1.45 5.75 -1.26 -4.87 116.55 112.97 2jo0 n ASP 8 Ca 0.00 0.12 -0.29 0.00 -0.01 0.00 0.00 54.79 54.61 2jo0 n ASP 8 Cb 0.00 0.57 0.05 0.00 -1.03 0.00 0.00 41.12 40.71 2jo0 n ASP 8 CO 0.00 0.00 0.00 0.27 -0.11 0.00 0.00 177.20 177.36 2jo0 s ILE 9 N -3.29 3.41 0.37 2.12 -4.36 -0.57 -4.86 121.20 114.01 2jo0 s ILE 9 Ca 0.02 0.38 -0.28 0.00 -0.26 0.00 0.00 60.65 60.50 2jo0 s ILE 9 Cb 0.12 -3.44 -0.11 0.00 1.25 0.00 0.00 42.46 40.28 2jo0 s ILE 9 CO 0.78 -0.56 1.51 0.00 0.24 0.00 0.00 174.94 176.92 2jo0 s ARG 10 N -5.32 4.10 0.60 0.37 1.04 -1.26 -5.03 118.95 113.44 2jo0 s ARG 10 Ca 0.58 2.59 -0.09 0.00 -1.04 0.00 0.00 55.73 57.77 2jo0 s ARG 10 Cb -0.11 -2.97 -0.02 0.00 -2.04 0.00 0.00 34.95 29.81 2jo0 s ARG 10 CO 0.51 -0.57 0.96 1.14 -0.04 0.00 0.00 175.30 177.30 2jo0 s GLN 11 N -1.85 3.35 0.00 3.89 -2.07 -1.26 -4.96 119.66 116.76 2jo0 s GLN 11 Ca 0.55 0.45 0.00 0.00 -1.82 0.00 0.00 55.36 54.54 2jo0 s GLN 11 Cb -0.47 -2.17 0.00 0.00 -1.09 0.00 0.00 33.01 29.28 2jo0 s GLN 11 CO 0.61 -0.58 0.00 0.41 -1.32 0.00 0.00 175.29 174.41 2jo0 n GLY 12 N -2.65 -0.10 0.00 2.60 0.00 -1.26 -5.06 105.19 98.72 2jo0 n GLY 12 Ca 0.05 -0.22 0.07 0.00 0.00 0.00 0.00 46.02 45.91 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 0.33 -0.03 1.61 -0.04 -1.26 -4.54 135.00 131.07 2jo0 n PRO 13 Ca 0.00 0.06 -0.02 0.00 -0.04 0.00 0.00 63.50 63.50 2jo0 n PRO 13 Cb 0.00 -1.50 -0.01 0.00 -0.04 0.00 0.00 33.50 31.95 2jo0 n PRO 13 CO 0.00 0.00 0.00 1.57 -0.04 0.00 0.00 175.50 177.03 2jo0 h LYS 14 N 0.00 -0.05 0.01 0.54 2.10 -1.91 -1.56 116.57 115.71 2jo0 h LYS 14 Ca 0.00 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.64 2jo0 h LYS 14 Cb 0.05 0.01 0.00 0.00 -0.90 0.00 0.00 32.23 31.39 2jo0 h LYS 14 CO 0.00 -0.03 -0.06 1.49 -2.00 0.00 0.00 179.45 178.85 2jo0 h GLU 15 N -0.05 0.03 0.00 0.07 4.22 -1.80 -3.34 114.58 113.71 2jo0 h GLU 15 Ca 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2jo0 h GLU 15 Cb 0.08 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.34 2jo0 h GLU 15 CO -0.10 0.94 0.00 -0.35 -2.18 0.00 0.00 179.01 177.32 2jo0 n PRO 16 N -4.61 0.63 0.00 0.92 -0.04 -1.22 -4.70 135.00 125.99 2jo0 n PRO 16 Ca -0.10 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.36 2jo0 n PRO 16 Cb 0.47 -1.34 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.84 0.00 -0.02 0.54 7.35 -0.59 -0.70 117.46 123.20 2jo0 n PHE 17 Ca 0.10 0.00 -0.01 0.00 -0.76 0.00 0.00 57.45 56.79 2jo0 n PHE 17 Cb 0.05 0.00 -0.00 0.00 0.35 0.00 0.00 39.48 39.87 2jo0 n PHE 17 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2jo0 n ARG 18 N -0.34 -0.02 -0.00 -4.13 3.00 -1.26 0.16 116.66 114.06 2jo0 n ARG 18 Ca 0.00 0.13 -0.13 0.00 -0.01 0.00 0.00 57.85 57.84 2jo0 n ARG 18 Cb 0.00 -0.19 -0.09 0.00 0.00 0.00 0.00 32.46 32.18 2jo0 n ARG 18 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.63 177.85 2jo0 h ASP 19 N 0.00 0.00 -0.14 0.55 3.58 -1.29 -2.82 116.42 116.30 2jo0 h ASP 19 Ca 0.01 -0.39 0.04 0.00 0.42 0.00 0.00 57.03 57.11 2jo0 h ASP 19 Cb 0.02 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2jo0 h ASP 19 CO -0.05 0.39 0.14 0.22 -2.88 0.00 0.00 179.24 177.06 2jo0 h TYR 20 N -0.39 0.00 -0.06 0.28 5.03 -0.37 0.06 116.97 121.51 2jo0 h TYR 20 Ca 0.00 0.00 -0.00 0.00 2.58 0.00 0.00 58.73 61.31 2jo0 h TYR 20 Cb 0.39 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 38.67 2jo0 h TYR 20 CO 0.06 0.00 0.03 0.28 -1.32 0.00 0.00 178.16 177.21 2jo0 h VAL 21 N 0.00 1.10 0.40 1.81 2.07 -0.04 -1.33 116.25 120.26 2jo0 h VAL 21 Ca 0.07 -0.29 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2jo0 h VAL 21 Cb 0.34 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2jo0 h VAL 21 CO -0.00 0.08 -0.31 -0.78 0.02 0.00 0.00 177.57 176.59 2jo0 h ASP 22 N -0.01 -0.79 -0.28 0.57 1.82 -0.89 0.12 116.42 116.95 2jo0 h ASP 22 Ca 0.02 0.06 -0.01 0.00 -0.39 0.00 0.00 57.03 56.71 2jo0 h ASP 22 Cb 0.11 0.25 -0.02 0.00 0.68 0.00 0.00 39.33 40.36 2jo0 h ASP 22 CO -0.00 -0.46 0.17 0.03 -1.61 0.00 0.00 179.24 177.36 2jo0 h ARG 23 N -0.70 0.41 0.00 0.28 2.47 -1.15 -1.66 114.38 114.03 2jo0 h ARG 23 Ca -0.04 -0.03 -0.02 0.00 -1.26 0.00 0.00 59.98 58.63 2jo0 h ARG 23 Cb 0.60 -0.09 -0.00 0.00 -1.65 0.00 0.00 29.97 28.83 2jo0 h ARG 23 CO 0.00 0.31 -0.15 0.35 0.56 0.00 0.00 179.97 181.04 2jo0 h PHE 24 N 0.42 0.00 0.00 3.04 3.57 -1.23 -3.36 116.94 119.38 2jo0 h PHE 24 Ca 0.11 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.60 2jo0 h PHE 24 Cb 0.02 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.75 2jo0 h PHE 24 CO 0.00 0.68 -0.06 1.88 -2.23 0.00 0.00 178.31 178.58 2jo0 h TYR 25 N -1.00 0.00 -0.80 0.41 -1.99 -0.74 0.19 116.97 113.03 2jo0 h TYR 25 Ca -0.03 0.00 0.09 0.00 2.00 0.00 0.00 58.73 60.78 2jo0 h TYR 25 Cb 0.69 0.00 -0.05 0.00 2.00 0.00 0.00 36.73 39.37 2jo0 h TYR 25 CO 0.15 0.06 0.52 -0.22 -0.00 0.00 0.00 178.16 178.67 2jo0 h LYS 26 N 0.00 0.76 0.11 4.88 3.11 -1.49 -0.66 116.57 123.28 2jo0 h LYS 26 Ca -0.00 -0.05 -0.34 0.00 -2.81 0.00 0.00 60.65 57.46 2jo0 h LYS 26 Cb 0.17 -0.17 -0.02 0.00 -1.00 0.00 0.00 32.23 31.22 2jo0 h LYS 26 CO 0.01 0.50 -1.81 1.79 -2.81 0.00 0.00 179.45 177.13 2jo0 h THR 27 N 0.78 0.82 -0.96 1.00 1.35 -1.22 -3.38 112.91 111.30 2jo0 h THR 27 Ca 0.36 -2.53 0.19 0.00 -0.55 0.00 0.00 66.41 63.88 2jo0 h THR 27 Cb 0.38 2.59 -0.09 0.00 -1.73 0.00 0.00 68.15 69.30 2jo0 h THR 27 CO -0.14 0.81 0.61 0.25 -0.25 0.00 0.00 175.52 176.80 2jo0 h LEU 28 N 0.06 0.65 -1.58 3.87 6.46 -0.82 -0.28 115.31 123.68 2jo0 h LEU 28 Ca -0.35 0.07 0.00 0.00 -0.12 0.00 0.00 57.88 57.48 2jo0 h LEU 28 Cb 2.04 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 41.92 2jo0 h LEU 28 CO 0.12 0.26 0.00 -2.11 -0.62 0.00 0.00 178.44 176.09 2jo0 n ARG 29 N -4.64 0.21 0.00 1.25 -4.01 -0.28 -0.88 116.66 108.32 2jo0 n ARG 29 Ca 0.21 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 57.02 2jo0 n ARG 29 Cb 0.59 -1.27 0.00 0.00 -3.04 0.00 0.00 32.46 28.74 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 0.68 0.24 0.00 2.89 0.00 -0.12 -4.68 120.51 119.53 2jo0 n ALA 30 Ca 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 53.44 53.32 2jo0 n ALA 30 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.53 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 0.00 0.04 0.00 0.00 0.28 -0.13 -4.87 120.64 115.96 2jo0 n GLU 31 Ca 0.00 0.00 0.02 0.00 -0.16 0.00 0.00 57.16 57.02 2jo0 n GLU 31 Cb 0.31 -0.60 0.02 0.00 1.43 0.00 0.00 31.44 32.59 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 -1.66 -0.09 -2.83 3.44 6.02 -0.06 -5.05 117.38 117.16 2jo0 n GLN 32 Ca 0.00 -0.71 -0.13 0.00 -0.01 0.00 0.00 57.00 56.16 2jo0 n GLN 32 Cb 0.10 -1.06 -0.01 0.00 1.02 0.00 0.00 30.24 30.30 2jo0 n GLN 32 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2jo0 n ALA 33 N 0.16 -0.95 -2.99 -1.58 0.00 -0.73 -4.92 120.51 109.50 2jo0 n ALA 33 Ca 0.02 0.04 -0.13 0.00 0.00 0.00 0.00 53.44 53.38 2jo0 n ALA 33 Cb 0.10 -1.52 -0.04 0.00 0.00 0.00 0.00 19.45 17.99 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 -2.27 0.52 0.00 0.00 0.15 -1.26 -4.95 113.70 105.89 2jo0 s SER 34 Ca 0.15 -1.30 0.00 0.00 0.70 0.00 0.00 55.95 55.50 2jo0 s SER 34 Cb -0.08 0.64 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2jo0 s SER 34 CO 0.19 -1.25 0.40 1.67 1.20 0.00 0.00 173.24 175.45 2jo0 n GLN 35 N -0.49 0.07 -1.76 5.44 7.27 -1.26 -4.65 117.38 121.99 2jo0 n GLN 35 Ca -0.00 -0.42 -0.42 0.00 0.07 0.00 0.00 57.00 56.23 2jo0 n GLN 35 Cb 0.62 -0.52 -0.02 0.00 2.41 0.00 0.00 30.24 32.73 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 -0.03 4.12 0.41 3.69 2.12 -1.26 -4.67 118.70 123.09 2jo0 s GLU 36 Ca 0.00 2.59 0.24 0.00 0.36 0.00 0.00 54.97 58.15 2jo0 s GLU 36 Cb 0.00 -3.04 1.28 0.00 0.26 0.00 0.00 34.13 32.63 2jo0 s GLU 36 CO 0.00 -0.67 1.69 0.28 -0.54 0.00 0.00 175.26 176.02 2jo0 h VAL 37 N 3.51 0.00 0.00 3.70 2.07 -1.99 -3.07 116.25 120.48 2jo0 h VAL 37 Ca -0.46 0.00 -0.33 0.00 0.82 0.00 0.00 66.70 66.73 2jo0 h VAL 37 Cb 1.21 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2jo0 h VAL 37 CO 0.84 0.00 1.64 1.17 0.02 0.00 0.00 177.57 181.24 2jo0 n LYS 38 N -2.39 2.14 -0.54 1.57 4.81 -1.26 -4.84 118.16 117.66 2jo0 n LYS 38 Ca -0.02 -1.29 -0.28 0.00 -0.87 0.00 0.00 58.31 55.86 2jo0 n LYS 38 Cb 0.15 -2.26 0.26 0.00 0.02 0.00 0.00 35.03 33.20 2jo0 n LYS 38 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2jo0 s ASN 39 N 2.64 0.78 0.00 3.14 -0.87 -1.16 -5.09 114.94 114.38 2jo0 s ASN 39 Ca 0.50 1.45 0.00 0.00 -1.57 0.00 0.00 52.86 53.24 2jo0 s ASN 39 Cb 0.18 -2.25 0.00 0.00 -0.02 0.00 0.00 41.25 39.16 2jo0 s ASN 39 CO -0.02 -4.32 0.00 0.00 -2.57 0.00 0.00 177.10 170.19 2jo0 n ALA 40 N -4.99 0.00 -3.29 0.60 0.00 -1.26 -5.08 120.51 106.49 2jo0 n ALA 40 Ca 0.03 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 2jo0 n ALA 40 Cb 0.55 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.93 2jo0 n ALA 40 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2jo0 n MET 41 N 0.00 2.51 -2.76 0.00 0.00 -1.26 -4.92 117.12 110.69 2jo0 n MET 41 Ca 0.00 -4.57 -0.07 0.00 0.00 0.00 0.00 57.70 53.06 2jo0 n MET 41 Cb 0.00 -2.16 -0.01 0.00 0.00 0.00 0.00 33.22 31.05 2jo0 n MET 41 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 2jo0 n THR 42 N 0.63 0.00 0.00 3.17 -2.24 -1.26 -5.00 114.28 109.58 2jo0 n THR 42 Ca 0.29 -0.86 0.00 0.00 -2.27 0.00 0.00 64.05 61.22 2jo0 n THR 42 Cb 0.42 0.57 0.00 0.00 -2.10 0.00 0.00 70.33 69.22 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 -0.30 0.00 0.00 -0.78 0.00 -1.26 -3.80 120.64 114.50 2jo0 n GLU 43 Ca -0.01 0.28 0.00 0.00 0.00 0.00 0.00 57.16 57.43 2jo0 n GLU 43 Cb 0.31 -1.64 0.00 0.00 0.00 0.00 0.00 31.44 30.11 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 -1.25 0.00 0.00 3.84 5.66 -1.26 -4.56 114.28 116.71 2jo0 n THR 44 Ca 0.00 0.23 0.00 0.00 -3.05 0.00 0.00 64.05 61.23 2jo0 n THR 44 Cb 0.14 -1.18 0.00 0.00 -1.55 0.00 0.00 70.33 67.74 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 -0.71 0.00 -4.24 1.09 -0.00 -1.25 -4.73 117.00 107.16 2jo0 n LEU 45 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 56.01 55.82 2jo0 n LEU 45 Cb 0.23 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.58 2jo0 n LEU 45 CO 0.00 0.00 -0.04 -0.76 -0.00 0.00 0.00 177.39 176.59 2jo0 s LEU 46 N -0.85 1.62 -0.05 1.47 2.01 -1.26 -4.63 118.68 116.99 2jo0 s LEU 46 Ca 0.00 -1.73 -0.02 0.00 0.01 0.00 0.00 54.13 52.40 2jo0 s LEU 46 Cb 0.00 0.78 0.04 0.00 0.01 0.00 0.00 46.19 47.02 2jo0 s LEU 46 CO 0.00 -1.14 0.09 -0.69 1.01 0.00 0.00 176.35 175.62 2jo0 s VAL 47 N -3.29 -0.10 0.52 -1.59 1.01 -1.26 -5.01 120.40 110.68 2jo0 s VAL 47 Ca 0.39 0.27 0.35 0.00 0.00 0.00 0.00 61.98 62.99 2jo0 s VAL 47 Cb 0.01 -0.17 0.38 0.00 0.00 0.00 0.00 36.38 36.60 2jo0 s VAL 47 CO 0.27 0.11 2.22 1.56 0.00 0.00 0.00 175.10 179.27 2jo0 h GLN 48 N 7.68 0.00 0.00 2.72 4.20 -1.85 -0.80 115.11 127.07 2jo0 h GLN 48 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2jo0 h GLN 48 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2jo0 h GLN 48 CO 0.34 0.03 0.00 0.09 -0.67 0.00 0.00 178.83 178.63 2jo0 n ASN 49 N -3.43 0.00 -4.64 1.46 4.13 -1.26 -4.96 115.26 106.56 2jo0 n ASN 49 Ca -0.02 0.28 -0.38 0.00 1.68 0.00 0.00 54.58 56.13 2jo0 n ASN 49 Cb 0.14 -0.38 0.05 0.00 -1.54 0.00 0.00 39.78 38.05 2jo0 n ASN 49 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jo0 n ALA 50 N -1.38 0.48 -1.53 5.41 0.00 -0.31 -5.01 120.51 118.17 2jo0 n ALA 50 Ca 0.05 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.25 2jo0 n ALA 50 Cb 0.13 -2.16 0.18 0.00 0.00 0.00 0.00 19.45 17.60 2jo0 n ALA 50 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 2jo0 s ASN 51 N -1.12 2.60 0.22 0.00 -0.87 -1.26 -4.96 114.94 109.54 2jo0 s ASN 51 Ca 0.74 0.63 -0.04 0.00 -1.57 0.00 0.00 52.86 52.61 2jo0 s ASN 51 Cb -0.43 -0.92 0.19 0.00 -0.02 0.00 0.00 41.25 40.07 2jo0 s ASN 51 CO 0.48 -3.09 1.63 1.55 -2.57 0.00 0.00 177.10 175.11 2jo0 h PRO 52 N -1.87 0.77 0.00 -0.60 0.13 -1.95 -3.36 132.00 125.12 2jo0 h PRO 52 Ca -0.47 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.35 2jo0 h PRO 52 Cb 1.29 -0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2jo0 h PRO 52 CO 0.45 0.92 0.00 -3.47 -0.23 0.00 0.00 178.00 175.68 2jo0 n ASP 53 N -4.11 0.00 -0.32 1.44 2.03 -1.26 -2.65 116.55 111.68 2jo0 n ASP 53 Ca 0.00 0.33 -0.08 0.00 0.52 0.00 0.00 54.79 55.55 2jo0 n ASP 53 Cb 0.43 0.00 -0.08 0.00 -0.72 0.00 0.00 41.12 40.76 2jo0 n ASP 53 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2jo0 h LYS 55 N 0.00 -0.15 0.00 0.00 1.57 -1.71 0.97 116.57 117.26 2jo0 h LYS 55 Ca 0.12 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 2jo0 h LYS 55 Cb 0.31 0.03 -0.00 0.00 0.08 0.00 0.00 32.23 32.65 2jo0 h LYS 55 CO -0.71 -0.10 -0.10 1.15 -0.57 0.00 0.00 179.45 179.12 2jo0 h THR 56 N -0.15 0.83 0.00 -0.16 2.02 -1.09 -2.93 112.91 111.43 2jo0 h THR 56 Ca 0.24 -0.37 -0.03 0.00 0.77 0.00 0.00 66.41 67.02 2jo0 h THR 56 Cb 0.55 1.21 -0.00 0.00 -1.74 0.00 0.00 68.15 68.17 2jo0 h THR 56 CO -0.69 0.10 -0.87 -0.38 0.37 0.00 0.00 175.52 174.05 2jo0 n ILE 57 N -4.08 1.47 0.15 3.11 5.41 0.11 -4.24 119.36 121.29 2jo0 n ILE 57 Ca -0.02 0.14 0.19 0.00 1.00 0.00 0.00 62.75 64.06 2jo0 n ILE 57 Cb 0.18 -2.33 0.75 0.00 -0.71 0.00 0.00 39.64 37.53 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 -1.00 0.00 -0.76 1.39 4.07 -1.05 -0.89 115.31 117.07 2jo0 h LEU 58 Ca -0.05 0.00 0.29 0.00 0.08 0.00 0.00 57.88 58.21 2jo0 h LEU 58 Cb 0.83 0.00 -0.11 0.00 1.08 0.00 0.00 40.66 42.46 2jo0 h LEU 58 CO -0.03 0.00 0.44 0.29 -1.08 0.00 0.00 178.44 178.07 2jo0 n LYS 59 N -3.49 -0.03 -0.03 1.13 5.02 -1.11 -0.94 118.16 118.71 2jo0 n LYS 59 Ca 0.05 0.89 -0.03 0.00 -2.02 0.00 0.00 58.31 57.20 2jo0 n LYS 59 Cb 0.57 -1.65 -0.05 0.00 -0.02 0.00 0.00 35.03 33.88 2jo0 n LYS 59 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2jo0 n ALA 60 N -2.52 1.84 1.17 7.82 0.00 -0.43 -3.83 120.51 124.56 2jo0 n ALA 60 Ca 0.26 -0.42 0.11 0.00 0.00 0.00 0.00 53.44 53.39 2jo0 n ALA 60 Cb 0.93 0.12 0.37 0.00 0.00 0.00 0.00 19.45 20.87 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 -2.26 1.84 -2.84 0.00 7.94 -0.13 -3.89 117.00 117.66 2jo0 n LEU 61 Ca -0.11 -0.75 -0.26 0.00 -1.11 0.00 0.00 56.01 53.79 2jo0 n LEU 61 Cb 0.70 -0.10 -0.03 0.00 0.53 0.00 0.00 43.42 44.52 2jo0 n LEU 61 CO 0.13 0.38 0.12 0.61 -1.11 0.00 0.00 177.39 177.51 2jo0 n GLY 62 N 1.17 5.39 0.10 -3.96 0.00 -0.11 -4.51 105.19 103.27 2jo0 n GLY 62 Ca 0.17 -2.63 0.00 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.25 0.34 0.00 1.61 -0.04 -1.25 -4.07 135.00 131.34 2jo0 n PRO 63 Ca 0.32 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.78 2jo0 n PRO 63 Cb 0.50 -1.03 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 -0.34 0.00 0.15 0.55 0.00 -1.26 -4.90 120.51 114.72 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 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 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 0.00 2.76 0.28 0.00 0.00 -1.26 -4.93 120.51 117.36 2jo0 n ALA 65 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2jo0 n ALA 65 Cb 0.00 0.00 0.66 0.00 0.00 0.00 0.00 19.45 20.11 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 -0.91 0.00 2.02 -1.87 -1.43 112.91 110.72 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 0.53 -0.10 0.00 -1.74 0.00 0.00 68.15 66.85 2jo0 h THR 66 CO 0.00 0.00 0.50 0.25 0.37 0.00 0.00 175.52 176.64 2jo0 h LEU 67 N 0.00 0.64 -1.61 2.58 6.46 -1.81 -2.34 115.31 119.23 2jo0 h LEU 67 Ca 0.00 0.09 0.32 0.00 -0.12 0.00 0.00 57.88 58.16 2jo0 h LEU 67 Cb 0.68 -0.02 -0.04 0.00 -0.73 0.00 0.00 40.66 40.55 2jo0 h LEU 67 CO 0.00 0.26 1.01 -0.33 -0.62 0.00 0.00 178.44 178.76 2jo0 h GLU 68 N 0.70 0.00 0.04 1.25 5.08 -1.52 0.40 114.58 120.54 2jo0 h GLU 68 Ca 0.50 0.00 -0.28 0.00 -1.00 0.00 0.00 59.36 58.58 2jo0 h GLU 68 Cb 0.70 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.92 2jo0 h GLU 68 CO -0.36 0.00 -1.51 -0.85 -1.00 0.00 0.00 179.01 175.29 2jo0 n GLU 69 N -3.65 0.63 0.28 2.33 0.28 -0.90 -4.62 120.64 114.99 2jo0 n GLU 69 Ca 0.24 0.47 0.17 0.00 -0.16 0.00 0.00 57.16 57.88 2jo0 n GLU 69 Cb 1.35 -1.73 0.72 0.00 1.43 0.00 0.00 31.44 33.21 2jo0 n GLU 69 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 177.13 177.49 2jo0 h MET 70 N -0.65 0.00 -1.14 3.44 2.86 -0.16 -0.07 114.93 119.21 2jo0 h MET 70 Ca -0.38 0.00 0.32 0.00 -2.06 0.00 0.00 59.70 57.58 2jo0 h MET 70 Cb 1.55 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 33.14 2jo0 h MET 70 CO -0.12 0.04 0.79 1.98 1.06 0.00 0.00 176.91 180.66 2jo0 h MET 71 N 0.00 0.11 0.00 1.72 1.85 -0.92 -1.97 114.93 115.71 2jo0 h MET 71 Ca -0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2jo0 h MET 71 Cb 0.47 -0.02 0.00 0.00 0.43 0.00 0.00 31.60 32.48 2jo0 h MET 71 CO 0.00 0.07 -0.30 2.41 -0.40 0.00 0.00 176.91 178.69 2jo0 n THR 72 N -4.32 0.00 0.04 -0.77 -1.04 -1.17 -4.63 114.28 102.38 2jo0 n THR 72 Ca 0.26 0.00 0.03 0.00 -2.04 0.00 0.00 64.05 62.30 2jo0 n THR 72 Cb 1.14 -0.18 0.41 0.00 -1.82 0.00 0.00 70.33 69.88 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 1.63 -0.65 2.41 0.00 -1.02 -2.64 119.26 118.99 2jo0 h ALA 73 Ca 0.00 -0.09 -0.32 0.00 0.00 0.00 0.00 54.91 54.50 2jo0 h ALA 73 Cb 0.22 -0.13 -0.19 0.00 0.00 0.00 0.00 17.79 17.69 2jo0 h ALA 73 CO 0.00 0.29 0.41 0.00 0.00 0.00 0.00 179.25 179.95 2jo0 n GLN 75 N -0.53 0.16 0.00 0.00 10.64 -1.00 -3.11 117.38 123.54 2jo0 n GLN 75 Ca 0.39 0.38 0.00 0.00 -1.83 0.00 0.00 57.00 55.93 2jo0 n GLN 75 Cb 1.26 -1.79 0.00 0.00 -0.86 0.00 0.00 30.24 28.85 2jo0 n GLN 75 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2jo0 n GLY 76 N 0.08 0.00 0.17 2.61 0.00 -1.25 -4.99 105.19 101.81 2jo0 n GLY 76 Ca 0.03 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.06 2jo0 n GLY 76 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2jo0 h VAL 77 N 0.00 1.32 -1.47 1.61 2.07 -1.81 -3.50 116.25 114.46 2jo0 h VAL 77 Ca 0.00 -1.52 0.00 0.00 0.82 0.00 0.00 66.70 66.00 2jo0 h VAL 77 Cb 0.00 1.80 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2jo0 h VAL 77 CO 0.00 0.44 0.00 0.61 0.02 0.00 0.00 177.57 178.64 2jo0 n GLY 78 N -0.25 -0.27 3.25 2.17 0.00 -1.26 -4.99 105.19 103.83 2jo0 n GLY 78 Ca -0.02 -0.96 -0.09 0.00 0.00 0.00 0.00 46.02 44.96 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 -4.85 0.39 0.03 -0.02 0.00 -1.26 -4.88 107.32 96.73 2jo0 s GLY 79 Ca 0.00 -0.88 0.16 0.00 0.00 0.00 0.00 44.72 44.00 2jo0 s GLY 79 CO 0.00 -0.92 1.51 -1.55 0.00 0.00 0.00 173.10 172.13 2jo0 n PRO 80 N -0.12 0.02 0.00 2.90 -0.04 -1.26 -4.91 135.00 131.60 2jo0 n PRO 80 Ca -0.11 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 2jo0 n PRO 80 Cb 0.63 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.54 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 2.89 3.93 0.55 0.00 -1.26 -5.15 105.19 106.21 2jo0 n GLY 81 Ca 0.03 -1.31 -0.29 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.00 1.64 -0.21 1.61 -3.43 -1.26 -5.11 115.29 106.52 2jo0 s HIS 82 Ca 0.00 0.30 -0.04 0.00 -0.80 0.00 0.00 55.06 54.52 2jo0 s HIS 82 Cb 0.00 -4.04 0.11 0.00 -1.43 0.00 0.00 32.58 27.22 2jo0 s HIS 82 CO 0.00 -2.57 0.34 0.21 -2.00 0.00 0.00 174.74 170.71 2jo0 s LYS 83 N -5.84 0.28 0.33 -0.38 2.20 -1.26 -5.15 119.74 109.93 2jo0 s LYS 83 Ca 0.73 0.57 -0.29 0.00 -0.36 0.00 0.00 55.97 56.62 2jo0 s LYS 83 Cb -0.04 -0.46 -0.10 0.00 -1.51 0.00 0.00 37.83 35.72 2jo0 s LYS 83 CO 0.52 -0.54 1.32 0.00 -0.36 0.00 0.00 175.35 176.29 2jo0 s ALA 84 N 2.49 3.50 0.25 3.13 0.00 -1.26 -5.04 121.76 124.84 2jo0 s ALA 84 Ca 0.08 1.28 -0.22 0.00 0.00 0.00 0.00 51.96 53.10 2jo0 s ALA 84 Cb -0.15 -3.49 0.03 0.00 0.00 0.00 0.00 23.12 19.52 2jo0 s ALA 84 CO -0.14 -0.67 0.79 0.50 0.00 0.00 0.00 175.76 176.24 2jo0 s ARG 85 N -1.80 1.64 -0.00 0.00 3.52 -1.26 -5.08 118.95 115.96 2jo0 s ARG 85 Ca 0.49 -0.91 0.01 0.00 -0.13 0.00 0.00 55.73 55.19 2jo0 s ARG 85 Cb -0.40 0.56 0.01 0.00 -1.56 0.00 0.00 34.95 33.55 2jo0 s ARG 85 CO 0.54 -0.75 0.66 1.33 -0.81 0.00 0.00 175.30 176.27 2jo0 n VAL 86 N -0.47 0.17 -1.94 7.11 0.24 -1.26 -5.27 118.33 116.91 2jo0 n VAL 86 Ca -0.05 -0.18 0.00 0.00 -2.04 0.00 0.00 64.34 62.07 2jo0 n VAL 86 Cb 0.59 0.82 0.00 0.00 -1.47 0.00 0.00 33.84 33.78 2jo0 n VAL 86 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58