#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2sob n THR 2 N 0.00 -1.73 -2.38 0.00 -1.04 -1.26 -4.82 114.28 103.05 2sob n THR 2 Ca 0.00 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.97 2sob n THR 2 Cb 0.00 -3.09 0.04 0.00 -1.82 0.00 0.00 70.33 65.46 2sob n THR 2 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 2sob n SER 3 N -2.44 -1.25 -3.81 8.00 2.88 -1.26 -5.13 113.62 110.61 2sob n SER 3 Ca -0.10 -2.10 -0.12 0.00 -1.33 0.00 0.00 58.87 55.22 2sob n SER 3 Cb 0.61 0.51 -0.10 0.00 -0.75 0.00 0.00 64.21 64.48 2sob n SER 3 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2sob s THR 4 N 0.07 0.05 -0.43 2.46 2.01 -1.26 -4.90 115.64 113.65 2sob s THR 4 Ca 0.05 -0.42 -0.00 0.00 0.31 0.00 0.00 61.69 61.63 2sob s THR 4 Cb 0.25 -0.46 0.00 0.00 0.01 0.00 0.00 72.50 72.30 2sob s THR 4 CO -0.07 -0.23 0.03 1.17 -0.69 0.00 0.00 174.62 174.82 2sob n LYS 5 N 1.85 -0.55 0.00 4.92 4.81 -1.26 -4.88 118.16 123.06 2sob n LYS 5 Ca -0.19 0.25 0.00 0.00 -0.87 0.00 0.00 58.31 57.49 2sob n LYS 5 Cb 0.56 -3.97 0.00 0.00 0.02 0.00 0.00 35.03 31.64 2sob n LYS 5 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2sob n LYS 6 N -1.50 0.00 -3.76 1.64 4.01 -1.26 -4.44 118.16 112.84 2sob n LYS 6 Ca -0.06 0.00 -0.11 0.00 -0.51 0.00 0.00 58.31 57.63 2sob n LYS 6 Cb 0.54 0.00 -0.07 0.00 -0.51 0.00 0.00 35.03 34.99 2sob n LYS 6 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 2sob s LEU 7 N -1.50 0.92 -0.27 -0.35 1.02 -1.26 -1.79 118.68 115.45 2sob s LEU 7 Ca 0.00 -0.23 -0.16 0.00 0.02 0.00 0.00 54.13 53.77 2sob s LEU 7 Cb 0.00 1.33 0.08 0.00 0.02 0.00 0.00 46.19 47.61 2sob s LEU 7 CO 0.00 -0.62 0.68 -2.28 0.02 0.00 0.00 176.35 174.14 2sob s HIS 8 N -2.64 -1.04 0.44 0.29 2.46 -1.23 -4.69 115.29 108.88 2sob s HIS 8 Ca -0.04 2.09 -0.23 0.00 0.47 0.00 0.00 55.06 57.35 2sob s HIS 8 Cb -0.01 0.62 -0.08 0.00 -0.13 0.00 0.00 32.58 32.98 2sob s HIS 8 CO -0.04 -0.52 1.09 -1.59 -2.47 0.00 0.00 174.74 171.21 2sob s LYS 9 N 1.61 3.91 -0.30 2.88 -2.85 -1.26 -1.83 119.74 121.89 2sob s LYS 9 Ca -0.10 1.57 -0.04 0.00 -1.00 0.00 0.00 55.97 56.40 2sob s LYS 9 Cb -0.05 -2.38 0.17 0.00 -2.06 0.00 0.00 37.83 33.51 2sob s LYS 9 CO -0.19 -0.37 0.64 -2.00 0.10 0.00 0.00 175.35 173.52 2sob s GLU 10 N -2.75 0.55 -0.02 1.78 -6.30 -1.17 -4.81 118.70 105.98 2sob s GLU 10 Ca 0.62 1.12 -0.37 0.00 -2.50 0.00 0.00 54.97 53.84 2sob s GLU 10 Cb -0.23 0.64 -0.16 0.00 0.00 0.00 0.00 34.13 34.38 2sob s GLU 10 CO 0.28 -0.47 1.50 -2.30 0.02 0.00 0.00 175.26 174.29 2sob n PRO 11 N 5.43 1.28 0.00 4.30 -0.02 -1.11 -0.69 135.00 144.19 2sob n PRO 11 Ca -0.05 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2sob n PRO 11 Cb 0.51 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.84 2sob n PRO 11 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2sob n ALA 12 N 3.57 0.00 -3.64 3.55 0.00 0.37 -4.67 120.51 119.70 2sob n ALA 12 Ca 0.21 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.55 2sob n ALA 12 Cb 0.19 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.57 2sob n ALA 12 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2sob s THR 13 N 2.20 0.00 -0.18 0.00 -1.32 -1.26 -4.07 115.64 111.02 2sob s THR 13 Ca 0.00 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 2sob s THR 13 Cb 0.00 -1.00 -0.06 0.00 -1.51 0.00 0.00 72.50 69.93 2sob s THR 13 CO 0.00 0.00 2.18 -0.11 -2.21 0.00 0.00 174.62 174.48 2sob n LEU 14 N 3.68 3.36 -0.04 9.08 0.00 -1.26 -3.32 117.00 128.51 2sob n LEU 14 Ca -0.18 0.34 -0.05 0.00 0.00 0.00 0.00 56.01 56.12 2sob n LEU 14 Cb 0.57 -1.53 -0.03 0.00 0.00 0.00 0.00 43.42 42.43 2sob n LEU 14 CO -0.00 -0.53 -0.75 2.30 0.00 0.00 0.00 177.39 178.41 2sob n ILE 15 N 7.30 0.43 0.00 1.96 -5.35 -1.25 -4.99 119.36 117.45 2sob n ILE 15 Ca 0.29 -0.16 0.00 0.00 -0.27 0.00 0.00 62.75 62.61 2sob n ILE 15 Cb 0.43 -0.84 0.00 0.00 -1.74 0.00 0.00 39.64 37.48 2sob n ILE 15 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 2sob n LYS 16 N -2.78 0.00 -4.02 6.28 0.00 -1.26 -5.09 118.16 111.29 2sob n LYS 16 Ca -0.13 0.00 -0.31 0.00 0.00 0.00 0.00 58.31 57.86 2sob n LYS 16 Cb 0.64 0.00 -0.15 0.00 0.00 0.00 0.00 35.03 35.52 2sob n LYS 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2sob s ALA 17 N -2.00 2.76 0.51 3.14 0.00 -1.26 -3.08 121.76 121.83 2sob s ALA 17 Ca 0.00 -2.31 0.25 0.00 0.00 0.00 0.00 51.96 49.89 2sob s ALA 17 Cb 0.00 -1.86 1.35 0.00 0.00 0.00 0.00 23.12 22.60 2sob s ALA 17 CO 0.00 -1.57 1.96 0.82 0.00 0.00 0.00 175.76 176.97 2sob h ILE 18 N 6.64 0.71 -0.69 0.00 2.04 -1.92 -3.48 117.51 120.81 2sob h ILE 18 Ca -0.08 -0.03 0.00 0.00 1.00 0.00 0.00 64.86 65.75 2sob h ILE 18 Cb 1.03 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.73 2sob h ILE 18 CO 0.50 0.01 -0.17 -0.67 0.00 0.00 0.00 178.15 177.82 2sob n ASP 19 N -4.38 -2.03 0.00 1.72 -0.08 -1.19 -4.94 116.55 105.65 2sob n ASP 19 Ca 0.12 0.29 0.00 0.00 -1.51 0.00 0.00 54.79 53.69 2sob n ASP 19 Cb 0.65 -0.11 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2sob n ASP 19 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2sob n GLY 20 N -1.31 0.91 2.62 0.27 0.00 -1.26 -4.32 105.19 102.10 2sob n GLY 20 Ca 0.00 -0.71 -0.11 0.00 0.00 0.00 0.00 46.02 45.20 2sob n GLY 20 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2sob n ASP 21 N 1.04 2.31 -3.62 1.61 8.00 -1.26 -5.02 116.55 119.61 2sob n ASP 21 Ca 0.00 -2.79 -0.13 0.00 0.71 0.00 0.00 54.79 52.58 2sob n ASP 21 Cb 0.00 -0.49 -0.07 0.00 -0.02 0.00 0.00 41.12 40.54 2sob n ASP 21 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 2sob s THR 22 N -3.82 0.00 0.01 -3.53 -4.23 -1.26 -4.64 115.64 98.17 2sob s THR 22 Ca 0.33 0.00 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2sob s THR 22 Cb 0.41 -1.00 -0.01 0.00 1.34 0.00 0.00 72.50 73.24 2sob s THR 22 CO -0.02 0.00 -0.02 0.68 -0.54 0.00 0.00 174.62 174.72 2sob s VAL 23 N 0.11 0.13 0.02 2.29 -7.23 -1.26 -3.15 120.40 111.30 2sob s VAL 23 Ca -0.01 -0.28 0.07 0.00 -1.81 0.00 0.00 61.98 59.95 2sob s VAL 23 Cb -0.04 -0.16 -0.03 0.00 0.56 0.00 0.00 36.38 36.71 2sob s VAL 23 CO 0.01 -0.10 -0.21 -1.59 -0.31 0.00 0.00 175.10 172.90 2sob s LYS 24 N -0.40 2.09 -0.13 4.82 -2.85 -1.18 -0.66 119.74 121.42 2sob s LYS 24 Ca -0.03 -0.95 -0.09 0.00 -1.00 0.00 0.00 55.97 53.89 2sob s LYS 24 Cb -0.03 -2.14 0.05 0.00 -2.06 0.00 0.00 37.83 33.64 2sob s LYS 24 CO -0.00 0.55 0.33 -0.51 0.10 0.00 0.00 175.35 175.82 2sob s LEU 25 N -1.12 0.36 -1.31 2.77 1.02 -1.24 -3.96 118.68 115.20 2sob s LEU 25 Ca 0.13 0.70 -0.15 0.00 0.02 0.00 0.00 54.13 54.83 2sob s LEU 25 Cb -0.10 1.09 0.10 0.00 0.02 0.00 0.00 46.19 47.30 2sob s LEU 25 CO 0.03 -0.16 1.77 0.23 0.02 0.00 0.00 176.35 178.24 2sob n MET 26 N 3.74 3.23 0.09 1.70 2.81 -1.21 -3.22 117.12 124.26 2sob n MET 26 Ca -0.20 -3.33 -0.18 0.00 -1.81 0.00 0.00 57.70 52.18 2sob n MET 26 Cb 0.55 -3.26 -0.11 0.00 -0.71 0.00 0.00 33.22 29.69 2sob n MET 26 CO 0.00 0.00 0.00 0.10 1.51 0.00 0.00 175.97 177.58 2sob h TYR 27 N 6.91 0.76 -0.65 2.03 -0.00 -1.83 -3.29 116.97 120.89 2sob h TYR 27 Ca 0.43 -0.48 -0.42 0.00 -0.00 0.00 0.00 58.73 58.27 2sob h TYR 27 Cb 0.79 -0.06 -0.25 0.00 -0.00 0.00 0.00 36.73 37.21 2sob h TYR 27 CO 1.33 1.33 -0.03 1.17 -0.00 0.00 0.00 178.16 181.95 2sob n LYS 28 N -3.71 2.54 -1.15 0.10 0.00 -1.26 -4.87 118.16 109.81 2sob n LYS 28 Ca -0.10 -3.48 -0.05 0.00 0.00 0.00 0.00 58.31 54.67 2sob n LYS 28 Cb 0.95 -2.07 -0.02 0.00 0.00 0.00 0.00 35.03 33.89 2sob n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2sob n GLY 29 N -0.97 0.73 2.79 3.14 0.00 -1.24 -4.99 105.19 104.66 2sob n GLY 29 Ca 0.45 -0.32 -0.15 0.00 0.00 0.00 0.00 46.02 46.00 2sob n GLY 29 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2sob s GLN 30 N -1.95 -0.03 -0.16 1.61 -2.07 -1.26 -5.04 119.66 110.77 2sob s GLN 30 Ca 0.00 0.19 -0.29 0.00 -1.82 0.00 0.00 55.36 53.44 2sob s GLN 30 Cb 0.00 -0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 31.64 2sob s GLN 30 CO 0.00 -0.16 2.00 -1.25 -1.32 0.00 0.00 175.29 174.56 2sob s PRO 31 N 1.00 3.55 0.00 9.60 0.04 -1.26 -4.08 135.00 143.84 2sob s PRO 31 Ca -0.08 2.06 0.00 0.00 0.04 0.00 0.00 61.00 63.01 2sob s PRO 31 Cb -0.12 -4.24 0.00 0.00 0.04 0.00 0.00 34.50 30.19 2sob s PRO 31 CO -0.03 -1.62 0.00 -1.33 0.04 0.00 0.00 177.00 174.06 2sob n MET 32 N 8.19 2.03 -3.47 4.56 2.81 -1.20 -4.91 117.12 125.14 2sob n MET 32 Ca 0.24 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.92 2sob n MET 32 Cb 0.44 0.00 -0.12 0.00 -0.71 0.00 0.00 33.22 32.83 2sob n MET 32 CO 0.00 0.00 0.00 -0.08 1.51 0.00 0.00 175.97 177.40 2sob s THR 33 N 0.30 -0.28 -0.70 2.03 -1.32 -1.25 -3.70 115.64 110.72 2sob s THR 33 Ca 0.00 -0.45 -0.14 0.00 -1.21 0.00 0.00 61.69 59.90 2sob s THR 33 Cb 0.00 -0.89 0.18 0.00 -1.51 0.00 0.00 72.50 70.28 2sob s THR 33 CO 0.00 -0.46 0.63 -0.36 -2.21 0.00 0.00 174.62 172.22 2sob s PHE 34 N 2.28 3.55 -0.28 9.09 0.40 0.16 -0.16 117.98 133.01 2sob s PHE 34 Ca 0.08 -1.79 -0.16 0.00 -0.60 0.00 0.00 56.93 54.46 2sob s PHE 34 Cb -0.15 -3.76 0.10 0.00 0.51 0.00 0.00 43.02 39.73 2sob s PHE 34 CO -0.28 -0.99 0.78 0.50 0.70 0.00 0.00 175.22 175.94 2sob s ARG 35 N 0.70 0.59 0.00 0.44 6.06 -1.25 -4.17 118.95 121.32 2sob s ARG 35 Ca 0.12 1.05 0.00 0.00 -2.50 0.00 0.00 55.73 54.40 2sob s ARG 35 Cb -0.18 0.16 0.00 0.00 0.06 0.00 0.00 34.95 34.99 2sob s ARG 35 CO -0.04 -0.13 0.00 -0.11 -2.50 0.00 0.00 175.30 172.52 2sob n LEU 36 N 4.19 0.00 0.10 -0.88 -0.00 -1.24 -4.72 117.00 114.45 2sob n LEU 36 Ca -0.19 0.00 -0.17 0.00 -0.00 0.00 0.00 56.01 55.65 2sob n LEU 36 Cb 0.58 0.00 -0.12 0.00 -0.00 0.00 0.00 43.42 43.88 2sob n LEU 36 CO -0.01 0.00 -0.03 0.25 -0.00 0.00 0.00 177.39 177.60 2sob h LEU 37 N 0.00 0.53 0.00 -1.96 6.46 -1.94 -3.34 115.31 115.06 2sob h LEU 37 Ca 0.00 -0.54 0.00 0.00 -0.12 0.00 0.00 57.88 57.22 2sob h LEU 37 Cb 0.00 -0.17 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 2sob h LEU 37 CO 0.00 1.40 0.00 -0.11 -0.62 0.00 0.00 178.44 179.11 2sob n LEU 38 N -3.61 0.16 -4.53 2.25 -0.00 -1.26 -4.54 117.00 105.46 2sob n LEU 38 Ca -0.10 0.55 -0.42 0.00 -0.00 0.00 0.00 56.01 56.05 2sob n LEU 38 Cb 1.00 -0.47 -0.03 0.00 -0.00 0.00 0.00 43.42 43.92 2sob n LEU 38 CO 0.55 -0.47 1.06 -0.69 -0.00 0.00 0.00 177.39 177.84 2sob s VAL 39 N -1.25 3.90 -0.55 1.96 1.01 -1.26 -4.86 120.40 119.34 2sob s VAL 39 Ca 0.00 0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.30 2sob s VAL 39 Cb 0.00 -4.84 0.52 0.00 0.00 0.00 0.00 36.38 32.06 2sob s VAL 39 CO 0.00 -1.69 1.97 -0.67 0.00 0.00 0.00 175.10 174.71 2sob n ASP 40 N 8.87 5.94 0.05 3.32 -0.08 -1.25 -3.69 116.55 129.71 2sob n ASP 40 Ca 0.02 -3.65 -0.20 0.00 -1.51 0.00 0.00 54.79 49.45 2sob n ASP 40 Cb 0.48 -0.92 -0.14 0.00 2.34 0.00 0.00 41.12 42.88 2sob n ASP 40 CO 0.00 0.00 0.00 0.74 0.12 0.00 0.00 177.20 178.06 2sob h THR 41 N 0.98 1.47 -2.19 5.18 2.02 -1.89 -3.43 112.91 115.05 2sob h THR 41 Ca 0.60 -2.48 -0.53 0.00 0.77 0.00 0.00 66.41 64.76 2sob h THR 41 Cb 1.67 3.09 -0.02 0.00 -1.74 0.00 0.00 68.15 71.15 2sob h THR 41 CO 1.33 0.71 1.39 -2.16 0.37 0.00 0.00 175.52 177.16 2sob s PRO 42 N -2.58 2.88 -0.06 6.66 0.04 -1.26 -4.64 135.00 136.04 2sob s PRO 42 Ca -0.13 1.25 0.02 0.00 0.04 0.00 0.00 61.00 62.18 2sob s PRO 42 Cb 0.02 -4.34 0.07 0.00 0.04 0.00 0.00 34.50 30.29 2sob s PRO 42 CO 0.84 -2.40 0.76 -0.85 0.04 0.00 0.00 177.00 175.39 2sob n GLU 43 N 8.80 0.25 -2.85 4.56 0.28 -1.26 -5.01 120.64 125.41 2sob n GLU 43 Ca 0.25 -0.64 -0.11 0.00 -0.16 0.00 0.00 57.16 56.50 2sob n GLU 43 Cb 0.50 0.43 0.06 0.00 1.43 0.00 0.00 31.44 33.85 2sob n GLU 43 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2sob n THR 44 N -0.28 0.02 -0.02 3.84 -2.24 -1.26 -4.95 114.28 109.39 2sob n THR 44 Ca -0.15 -2.45 0.02 0.00 -2.27 0.00 0.00 64.05 59.19 2sob n THR 44 Cb 0.58 0.89 -0.13 0.00 -2.10 0.00 0.00 70.33 69.58 2sob n THR 44 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2sob n LYS 45 N 0.18 0.66 -0.05 -0.78 4.01 -1.26 -4.44 118.16 116.47 2sob n LYS 45 Ca 0.10 -0.01 -0.10 0.00 -0.51 0.00 0.00 58.31 57.79 2sob n LYS 45 Cb 0.72 -1.62 -0.09 0.00 -0.51 0.00 0.00 35.03 33.53 2sob n LYS 45 CO 0.00 0.00 0.00 1.25 -1.11 0.00 0.00 177.40 177.54 2sob h HIS 46 N 0.00 -0.02 0.00 2.13 2.76 -2.05 -3.33 115.15 114.65 2sob h HIS 46 Ca -0.21 -0.00 0.00 0.00 -2.20 0.00 0.00 60.37 57.96 2sob h HIS 46 Cb 1.52 0.01 0.00 0.00 1.55 0.00 0.00 27.41 30.49 2sob h HIS 46 CO 0.00 0.67 0.00 -0.35 -1.30 0.00 0.00 177.93 176.95 2sob n PRO 47 N -4.69 0.71 -0.04 5.26 -0.04 -1.26 -4.96 135.00 129.99 2sob n PRO 47 Ca -0.07 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.39 2sob n PRO 47 Cb 0.33 -1.15 -0.00 0.00 -0.04 0.00 0.00 33.50 32.65 2sob n PRO 47 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2sob n LYS 48 N 1.59 -0.08 -2.60 0.54 4.76 -1.25 -4.37 118.16 116.74 2sob n LYS 48 Ca 0.00 0.05 -0.43 0.00 -2.87 0.00 0.00 58.31 55.07 2sob n LYS 48 Cb 0.35 -0.10 -0.02 0.00 -1.84 0.00 0.00 35.03 33.42 2sob n LYS 48 CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 2sob s LYS 49 N -0.06 3.64 -0.34 1.97 -2.85 -1.26 -4.51 119.74 116.32 2sob s LYS 49 Ca 0.00 0.43 0.15 0.00 -1.00 0.00 0.00 55.97 55.55 2sob s LYS 49 Cb 0.00 -3.95 0.45 0.00 -2.06 0.00 0.00 37.83 32.27 2sob s LYS 49 CO 0.00 -1.49 0.97 0.41 0.10 0.00 0.00 175.35 175.34 2sob n GLY 50 N 4.94 2.39 3.02 0.59 0.00 -1.26 -5.06 105.19 109.81 2sob n GLY 50 Ca 0.10 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.42 2sob n GLY 50 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2sob s VAL 51 N -3.52 -0.13 -1.18 1.61 -7.23 -1.26 -5.06 120.40 103.63 2sob s VAL 51 Ca 0.31 0.19 -0.12 0.00 -1.81 0.00 0.00 61.98 60.56 2sob s VAL 51 Cb 0.44 -0.37 0.21 0.00 0.56 0.00 0.00 36.38 37.22 2sob s VAL 51 CO -0.01 0.08 1.32 -0.62 -0.31 0.00 0.00 175.10 175.57 2sob n GLU 52 N 4.53 3.44 -3.16 4.82 -0.58 -1.26 -4.89 120.64 123.54 2sob n GLU 52 Ca -0.20 -4.08 0.04 0.00 -0.42 0.00 0.00 57.16 52.50 2sob n GLU 52 Cb 0.52 -2.86 -0.01 0.00 -0.57 0.00 0.00 31.44 28.52 2sob n GLU 52 CO 0.00 0.00 0.00 0.21 -0.48 0.00 0.00 177.13 176.86 2sob s LYS 53 N 0.49 0.56 -0.21 3.49 2.20 -1.26 -5.05 119.74 119.97 2sob s LYS 53 Ca 0.38 0.99 -0.08 0.00 -0.36 0.00 0.00 55.97 56.91 2sob s LYS 53 Cb -0.05 0.55 -0.10 0.00 -1.51 0.00 0.00 37.83 36.72 2sob s LYS 53 CO -0.03 -0.60 -0.25 0.98 -0.36 0.00 0.00 175.35 175.09 2sob n TYR 54 N 5.43 0.00 0.00 4.03 9.36 -1.26 -5.05 117.16 129.67 2sob n TYR 54 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 2sob n TYR 54 Cb 0.51 -0.75 0.00 0.00 -0.63 0.00 0.00 39.34 38.47 2sob n TYR 54 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 2sob n GLY 55 N 1.86 -0.82 0.00 2.98 0.00 -1.26 -4.67 105.19 103.29 2sob n GLY 55 Ca -0.40 0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.99 2sob n GLY 55 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2sob n PRO 56 N 0.00 0.36 0.10 1.61 -0.04 -1.26 -4.72 135.00 131.05 2sob n PRO 56 Ca 0.00 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.23 2sob n PRO 56 Cb 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 33.50 33.31 2sob n PRO 56 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2sob h GLU 57 N 0.00 0.43 -0.49 0.54 4.81 -2.02 -1.89 114.58 115.96 2sob h GLU 57 Ca 0.00 -0.74 0.05 0.00 -0.13 0.00 0.00 59.36 58.55 2sob h GLU 57 Cb 0.00 0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.61 2sob h GLU 57 CO 0.00 1.35 0.21 0.00 -0.73 0.00 0.00 179.01 179.85 2sob h ALA 58 N 0.11 0.61 -0.02 2.92 0.00 -2.01 0.10 119.26 120.97 2sob h ALA 58 Ca -0.24 0.04 -0.16 0.00 0.00 0.00 0.00 54.91 54.55 2sob h ALA 58 Cb 1.97 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.73 2sob h ALA 58 CO 0.21 -0.16 -0.70 1.03 0.00 0.00 0.00 179.25 179.63 2sob h SER 59 N 0.42 0.15 -0.29 0.00 0.87 -1.93 -3.08 113.55 109.70 2sob h SER 59 Ca 0.22 -0.10 -0.06 0.00 -1.23 0.00 0.00 61.79 60.62 2sob h SER 59 Cb 0.18 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.07 2sob h SER 59 CO -0.19 0.81 -0.00 0.00 -0.53 0.00 0.00 176.83 176.91 2sob h ALA 60 N 1.19 1.26 -0.38 6.23 0.00 -0.42 -2.68 119.26 124.46 2sob h ALA 60 Ca -0.02 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2sob h ALA 60 Cb 1.25 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2sob h ALA 60 CO 0.10 0.50 0.19 0.74 0.00 0.00 0.00 179.25 180.78 2sob h PHE 61 N 0.59 0.35 -0.54 0.00 0.04 -0.92 0.17 116.94 116.62 2sob h PHE 61 Ca 0.12 0.02 -0.06 0.00 2.80 0.00 0.00 57.97 60.85 2sob h PHE 61 Cb 0.38 -0.10 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 2sob h PHE 61 CO 0.02 0.18 0.08 1.15 -0.60 0.00 0.00 178.31 179.14 2sob h THR 62 N 0.39 1.24 0.00 -1.55 2.02 -1.57 -2.57 112.91 110.86 2sob h THR 62 Ca 0.16 -0.91 -0.09 0.00 0.77 0.00 0.00 66.41 66.34 2sob h THR 62 Cb 0.07 0.73 -0.01 0.00 -1.74 0.00 0.00 68.15 67.20 2sob h THR 62 CO -0.12 0.33 -0.44 0.07 0.37 0.00 0.00 175.52 175.74 2sob h LYS 63 N 0.82 0.00 -0.26 6.66 2.10 -1.10 -2.98 116.57 121.81 2sob h LYS 63 Ca 0.17 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.82 2sob h LYS 63 Cb 0.37 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.70 2sob h LYS 63 CO 0.01 0.44 0.00 1.63 -2.00 0.00 0.00 179.45 179.52 2sob n LYS 64 N -3.37 1.19 0.19 0.07 5.02 0.53 -4.09 118.16 117.70 2sob n LYS 64 Ca 0.01 -0.25 0.18 0.00 -2.02 0.00 0.00 58.31 56.24 2sob n LYS 64 Cb 0.62 -1.16 0.80 0.00 -0.02 0.00 0.00 35.03 35.27 2sob n LYS 64 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2sob h MET 65 N 0.38 0.00 0.00 1.97 -0.00 -1.48 -1.91 114.93 113.88 2sob h MET 65 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2sob h MET 65 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 31.80 2sob h MET 65 CO 0.01 0.00 0.00 1.47 -0.00 0.00 0.00 176.91 178.39 2sob n LEU 66 N -3.53 0.26 -0.62 -0.10 -0.00 -1.26 -3.72 117.00 108.04 2sob n LEU 66 Ca 0.03 -0.59 0.00 0.00 -0.00 0.00 0.00 56.01 55.46 2sob n LEU 66 Cb 0.46 0.00 0.02 0.00 -0.00 0.00 0.00 43.42 43.91 2sob n LEU 66 CO 0.24 0.07 0.30 -0.62 -0.00 0.00 0.00 177.39 177.38 2sob n GLU 67 N -0.65 1.23 0.00 1.47 -0.58 -0.72 -4.04 120.64 117.36 2sob n GLU 67 Ca 0.00 -0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.54 2sob n GLU 67 Cb 0.01 -1.52 0.00 0.00 -0.57 0.00 0.00 31.44 29.36 2sob n GLU 67 CO 0.00 0.00 0.00 0.27 -0.48 0.00 0.00 177.13 176.92 2sob n ASN 68 N 0.06 0.00 -3.69 1.62 0.23 -1.25 -5.06 115.26 107.17 2sob n ASN 68 Ca 0.02 0.00 -0.24 0.00 -0.53 0.00 0.00 54.58 53.82 2sob n ASN 68 Cb 0.32 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.19 2sob n ASN 68 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2sob n ALA 69 N -0.76 -1.12 0.00 -2.53 0.00 -1.26 -5.04 120.51 109.80 2sob n ALA 69 Ca 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 53.44 51.94 2sob n ALA 69 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 19.45 19.42 2sob n ALA 69 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2sob n LYS 70 N -3.30 0.00 -3.40 0.00 4.81 -1.26 -4.57 118.16 110.44 2sob n LYS 70 Ca 0.14 0.00 -0.43 0.00 -0.87 0.00 0.00 58.31 57.15 2sob n LYS 70 Cb 0.49 -0.91 -0.09 0.00 0.02 0.00 0.00 35.03 34.54 2sob n LYS 70 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2sob s LYS 71 N -1.85 3.02 -0.29 1.64 2.20 -1.26 -4.53 119.74 118.67 2sob s LYS 71 Ca 0.00 -0.95 -0.04 0.00 -0.36 0.00 0.00 55.97 54.62 2sob s LYS 71 Cb 0.00 -3.99 0.03 0.00 -1.51 0.00 0.00 37.83 32.36 2sob s LYS 71 CO 0.00 -0.82 0.03 0.42 -0.36 0.00 0.00 175.35 174.62 2sob s ILE 72 N 1.86 3.44 -1.16 5.43 1.09 -1.26 -1.01 121.20 129.59 2sob s ILE 72 Ca 0.08 -1.00 -0.20 0.00 -1.10 0.00 0.00 60.65 58.42 2sob s ILE 72 Cb -0.19 -2.84 0.07 0.00 -1.06 0.00 0.00 42.46 38.45 2sob s ILE 72 CO 0.11 0.03 1.57 -1.61 -0.10 0.00 0.00 174.94 174.93 2sob s GLU 73 N 1.38 3.81 -0.53 2.79 8.01 0.09 0.14 118.70 134.39 2sob s GLU 73 Ca -0.00 -1.66 -0.26 0.00 0.01 0.00 0.00 54.97 53.05 2sob s GLU 73 Cb -0.18 -5.40 -0.05 0.00 -4.31 0.00 0.00 34.13 24.19 2sob s GLU 73 CO -0.00 -2.18 2.17 0.08 0.01 0.00 0.00 175.26 175.34 2sob s VAL 74 N 4.29 3.16 -0.87 2.63 1.01 0.13 -3.14 120.40 127.61 2sob s VAL 74 Ca 0.49 0.09 -0.25 0.00 0.00 0.00 0.00 61.98 62.31 2sob s VAL 74 Cb 0.01 -3.41 0.04 0.00 0.00 0.00 0.00 36.38 33.02 2sob s VAL 74 CO -0.01 -0.39 1.38 -0.70 0.00 0.00 0.00 175.10 175.38 2sob s GLU 75 N 7.69 3.34 -0.24 2.72 2.56 0.99 -3.06 118.70 132.71 2sob s GLU 75 Ca 0.85 -0.62 -0.18 0.00 0.00 0.00 0.00 54.97 55.02 2sob s GLU 75 Cb -0.16 -4.73 0.07 0.00 2.00 0.00 0.00 34.13 31.31 2sob s GLU 75 CO 0.24 -2.21 0.60 -0.59 -0.56 0.00 0.00 175.26 172.74 2sob s PHE 76 N 5.56 -0.78 0.03 5.30 -0.71 -0.76 -1.09 117.98 125.52 2sob s PHE 76 Ca 0.41 1.74 0.00 0.00 -1.04 0.00 0.00 56.93 58.04 2sob s PHE 76 Cb -0.04 0.36 0.00 0.00 -1.21 0.00 0.00 43.02 42.13 2sob s PHE 76 CO 0.04 -0.39 0.00 -3.47 -1.34 0.00 0.00 175.22 170.06 2sob n ASP 77 N 3.48 -0.21 -4.54 1.98 2.03 -1.23 -3.54 116.55 114.53 2sob n ASP 77 Ca -0.17 0.05 -0.26 0.00 0.52 0.00 0.00 54.79 54.93 2sob n ASP 77 Cb 0.57 0.57 -0.10 0.00 -0.72 0.00 0.00 41.12 41.44 2sob n ASP 77 CO 0.00 0.00 0.00 1.17 -1.92 0.00 0.00 177.20 176.45 2sob n LYS 78 N -2.56 0.52 -4.03 -0.67 4.81 -0.74 -3.27 118.16 112.22 2sob n LYS 78 Ca 0.00 -0.32 -0.28 0.00 -0.87 0.00 0.00 58.31 56.85 2sob n LYS 78 Cb 0.00 -2.81 -0.07 0.00 0.02 0.00 0.00 35.03 32.17 2sob n LYS 78 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2sob n GLY 79 N 6.29 -0.17 2.03 3.14 0.00 -1.26 -4.76 105.19 110.47 2sob n GLY 79 Ca 0.51 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.56 2sob n GLY 79 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2sob n GLN 80 N -4.06 1.96 -0.51 1.61 0.00 -1.20 -4.32 117.38 110.85 2sob n GLN 80 Ca -0.26 -1.16 0.06 0.00 -0.00 0.00 0.00 57.00 55.65 2sob n GLN 80 Cb 0.57 -1.91 0.27 0.00 0.00 0.00 0.00 30.24 29.18 2sob n GLN 80 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2sob n ARG 81 N 2.02 3.25 -2.64 3.69 3.00 -1.26 -4.87 116.66 119.85 2sob n ARG 81 Ca 0.39 -2.14 -0.43 0.00 -0.00 0.00 0.00 57.85 55.67 2sob n ARG 81 Cb 0.80 -1.83 -0.02 0.00 0.00 0.00 0.00 32.46 31.41 2sob n ARG 81 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 2sob s THR 82 N -1.92 4.57 -0.38 5.15 -4.23 -1.26 -4.83 115.64 112.74 2sob s THR 82 Ca 0.38 1.86 0.08 0.00 -1.18 0.00 0.00 61.69 62.83 2sob s THR 82 Cb 0.26 -4.36 0.34 0.00 1.34 0.00 0.00 72.50 70.08 2sob s THR 82 CO 0.16 -0.34 1.32 -0.90 -0.54 0.00 0.00 174.62 174.32 2sob n ASP 83 N 6.64 -1.76 -2.90 3.99 5.75 -1.26 -2.31 116.55 124.69 2sob n ASP 83 Ca 0.12 -2.32 -0.13 0.00 -0.01 0.00 0.00 54.79 52.45 2sob n ASP 83 Cb 0.47 0.99 0.03 0.00 -1.03 0.00 0.00 41.12 41.58 2sob n ASP 83 CO 0.00 0.00 0.00 1.17 -0.11 0.00 0.00 177.20 178.26 2sob n LYS 84 N -0.64 0.92 0.00 0.11 4.81 -1.26 -4.86 118.16 117.24 2sob n LYS 84 Ca -0.07 -2.39 0.00 0.00 -0.87 0.00 0.00 58.31 54.98 2sob n LYS 84 Cb 0.82 -1.31 0.00 0.00 0.02 0.00 0.00 35.03 34.56 2sob n LYS 84 CO 0.00 0.00 0.00 0.98 1.17 0.00 0.00 177.40 179.55 2sob n TYR 85 N 0.74 0.00 0.30 5.64 9.36 -1.26 -4.71 117.16 127.23 2sob n TYR 85 Ca 0.13 0.00 0.19 0.00 3.32 0.00 0.00 57.90 61.54 2sob n TYR 85 Cb 0.66 0.00 0.88 0.00 -0.63 0.00 0.00 39.34 40.25 2sob n TYR 85 CO 0.00 0.00 0.00 0.78 0.22 0.00 0.00 176.86 177.86 2sob h GLY 86 N 0.00 0.00 -1.08 2.98 0.00 -1.90 -3.48 103.07 99.59 2sob h GLY 86 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2sob h GLY 86 CO 0.00 0.00 -0.28 0.54 0.00 0.00 0.00 176.54 176.80 2sob n ARG 87 N -2.93 -1.24 -1.68 4.80 3.00 -1.26 -4.53 116.66 112.81 2sob n ARG 87 Ca -0.01 0.95 -0.42 0.00 -0.01 0.00 0.00 57.85 58.36 2sob n ARG 87 Cb 0.18 -1.15 -0.01 0.00 0.00 0.00 0.00 32.46 31.49 2sob n ARG 87 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2sob n VAL 88 N -1.54 3.29 -1.51 1.55 0.31 0.77 -4.10 118.33 117.10 2sob n VAL 88 Ca 0.00 -2.88 -0.16 0.00 -0.01 0.00 0.00 64.34 61.29 2sob n VAL 88 Cb 0.09 -2.58 -0.14 0.00 -0.91 0.00 0.00 33.84 30.31 2sob n VAL 88 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2sob n LEU 89 N 6.27 0.18 -3.81 7.52 4.77 -1.26 -3.88 117.00 126.79 2sob n LEU 89 Ca 0.52 -1.14 -0.12 0.00 -0.03 0.00 0.00 56.01 55.24 2sob n LEU 89 Cb 0.39 -1.13 -0.12 0.00 -2.33 0.00 0.00 43.42 40.23 2sob n LEU 89 CO 0.91 -2.13 -0.17 0.00 -1.33 0.00 0.00 177.39 174.67 2sob s ALA 90 N 7.89 -0.44 0.53 -1.18 0.00 -1.26 -4.89 121.76 122.42 2sob s ALA 90 Ca 1.05 0.48 -0.16 0.00 0.00 0.00 0.00 51.96 53.33 2sob s ALA 90 Cb -0.43 -0.28 -0.07 0.00 0.00 0.00 0.00 23.12 22.34 2sob s ALA 90 CO 0.29 -0.09 1.00 0.71 0.00 0.00 0.00 175.76 177.67 2sob s TYR 91 N 0.04 3.45 -0.28 0.00 1.51 -0.25 -4.61 117.35 117.20 2sob s TYR 91 Ca -0.01 1.45 -0.03 0.00 -1.01 0.00 0.00 57.07 57.48 2sob s TYR 91 Cb -0.01 -2.80 0.09 0.00 -0.11 0.00 0.00 41.96 39.13 2sob s TYR 91 CO 0.00 -0.45 0.10 0.42 -1.11 0.00 0.00 175.55 174.51 2sob s ILE 92 N -2.68 0.42 -0.21 2.71 -1.09 -1.26 -0.00 121.20 119.08 2sob s ILE 92 Ca 0.59 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 58.06 2sob s ILE 92 Cb -0.10 -1.25 0.05 0.00 -1.58 0.00 0.00 42.46 39.58 2sob s ILE 92 CO 0.34 -0.59 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.06 2sob s TYR 93 N 1.86 2.47 -0.04 3.97 2.02 -1.19 -4.77 117.35 121.67 2sob s TYR 93 Ca 0.07 -1.67 -0.16 0.00 -0.37 0.00 0.00 57.07 54.95 2sob s TYR 93 Cb -0.17 -1.65 -0.05 0.00 -0.40 0.00 0.00 41.96 39.69 2sob s TYR 93 CO -0.26 -0.76 0.42 0.00 -1.57 0.00 0.00 175.55 173.38 2sob s ALA 94 N 1.38 3.63 -1.29 3.71 0.00 -1.24 -0.73 121.76 127.21 2sob s ALA 94 Ca -0.03 -0.23 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2sob s ALA 94 Cb -0.17 -2.46 0.00 0.00 0.00 0.00 0.00 23.12 20.49 2sob s ALA 94 CO -0.08 0.32 0.00 -0.25 0.00 0.00 0.00 175.76 175.75 2sob n ASP 95 N 2.46 -3.95 0.00 0.00 8.00 -0.18 -0.74 116.55 122.14 2sob n ASP 95 Ca -0.12 0.24 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2sob n ASP 95 Cb 0.52 -3.48 0.00 0.00 -0.02 0.00 0.00 41.12 38.14 2sob n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2sob n GLY 96 N -0.59 3.05 5.50 0.44 0.00 -1.26 -4.97 105.19 107.36 2sob n GLY 96 Ca -0.15 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.03 2sob n GLY 96 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2sob n LYS 97 N 0.00 0.00 0.00 1.61 4.76 0.08 -4.43 118.16 120.18 2sob n LYS 97 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 2sob n LYS 97 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 2sob n LYS 97 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2sob n MET 98 N 0.00 0.00 0.24 1.97 0.00 -1.26 -4.97 117.12 113.09 2sob n MET 98 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 57.70 57.88 2sob n MET 98 Cb 0.00 0.00 0.86 0.00 0.00 0.00 0.00 33.22 34.08 2sob n MET 98 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2sob h VAL 99 N 0.00 0.27 -1.11 3.17 2.07 -1.91 -2.06 116.25 116.67 2sob h VAL 99 Ca 0.00 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.83 2sob h VAL 99 Cb 0.00 0.78 -0.08 0.00 -1.52 0.00 0.00 31.29 30.47 2sob h VAL 99 CO 0.00 0.00 0.75 -0.55 0.02 0.00 0.00 177.57 177.79 2sob h ASN 100 N 0.00 0.27 -0.17 0.57 -1.07 -1.94 0.32 115.58 113.57 2sob h ASN 100 Ca 0.07 0.06 0.05 0.00 0.07 0.00 0.00 56.30 56.55 2sob h ASN 100 Cb 0.59 0.02 -0.01 0.00 -2.07 0.00 0.00 38.32 36.85 2sob h ASN 100 CO -0.00 0.03 0.12 1.05 0.07 0.00 0.00 177.43 178.70 2sob h GLU 101 N 0.22 0.00 -6.59 4.14 -0.00 -1.74 -3.41 114.58 107.21 2sob h GLU 101 Ca 0.60 0.00 -0.53 0.00 -0.00 0.00 0.00 59.36 59.43 2sob h GLU 101 Cb 1.86 0.00 0.03 0.00 -0.00 0.00 0.00 28.75 30.64 2sob h GLU 101 CO -0.20 0.00 0.75 0.00 -0.00 0.00 0.00 179.01 179.56 2sob s ALA 102 N -5.04 3.62 0.00 1.06 0.00 0.11 -5.23 121.76 116.28 2sob s ALA 102 Ca -0.05 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.09 2sob s ALA 102 Cb 0.18 -3.55 0.00 0.00 0.00 0.00 0.00 23.12 19.75 2sob s ALA 102 CO 0.69 -0.65 0.00 1.28 0.00 0.00 0.00 175.76 177.08