#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2otj s GLU 2 N 0.00 4.52 0.31 0.03 2.12 -1.26 -4.96 118.70 119.46 2otj s GLU 2 Ca 0.00 1.76 -0.27 0.00 0.36 0.00 0.00 54.97 56.81 2otj s GLU 2 Cb 0.00 -3.05 -0.13 0.00 0.26 0.00 0.00 34.13 31.21 2otj s GLU 2 CO 0.00 0.12 1.01 0.00 -0.54 0.00 0.00 175.26 175.85 2otj n ALA 3 N 0.91 -0.13 0.03 6.30 0.00 -1.26 -4.92 120.51 121.44 2otj n ALA 3 Ca 0.00 0.36 -0.19 0.00 0.00 0.00 0.00 53.44 53.62 2otj n ALA 3 Cb 0.46 -2.03 -0.12 0.00 0.00 0.00 0.00 19.45 17.76 2otj n ALA 3 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2otj h LEU 4 N 1.93 0.65 0.00 0.00 3.38 -1.93 -3.47 115.31 115.88 2otj h LEU 4 Ca -0.40 -0.79 0.00 0.00 0.09 0.00 0.00 57.88 56.77 2otj h LEU 4 Cb 1.34 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.89 2otj h LEU 4 CO 0.60 1.37 0.00 0.61 0.09 0.00 0.00 178.44 181.10 2otj n GLY 5 N 1.20 1.08 3.61 0.83 0.00 -1.26 -4.79 105.19 105.85 2otj n GLY 5 Ca -0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 46.02 45.51 2otj n GLY 5 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 6 N -2.00 -2.01 -0.13 4.61 0.00 -1.26 -4.23 121.76 116.74 2otj s ALA 6 Ca 0.00 1.71 -0.19 0.00 0.00 0.00 0.00 51.96 53.48 2otj s ALA 6 Cb 0.00 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 2otj s ALA 6 CO 0.00 -0.26 0.54 -0.51 0.00 0.00 0.00 175.76 175.53 2otj s ASP 7 N -0.75 6.73 -0.07 0.00 -0.00 0.26 -4.91 116.67 117.93 2otj s ASP 7 Ca 0.02 0.87 0.03 0.00 -0.00 0.00 0.00 52.55 53.47 2otj s ASP 7 Cb -0.02 -2.32 -0.02 0.00 -0.00 0.00 0.00 42.92 40.56 2otj s ASP 7 CO -0.04 -0.07 -0.15 -0.69 -0.00 0.00 0.00 175.17 174.22 2otj s VAL 8 N 0.93 3.00 -0.44 -1.27 1.01 -1.26 -0.16 120.40 122.21 2otj s VAL 8 Ca 0.28 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2otj s VAL 8 Cb -0.16 -2.19 0.08 0.00 0.00 0.00 0.00 36.38 34.12 2otj s VAL 8 CO 0.12 0.57 0.30 -0.89 0.00 0.00 0.00 175.10 175.20 2otj s THR 9 N -0.46 4.44 -0.27 3.92 2.01 -1.26 -5.02 115.64 119.01 2otj s THR 9 Ca 0.06 -1.38 -0.36 0.00 0.31 0.00 0.00 61.69 60.32 2otj s THR 9 Cb -0.12 -3.73 -0.13 0.00 0.01 0.00 0.00 72.50 68.54 2otj s THR 9 CO 0.02 -0.56 2.00 0.00 -0.69 0.00 0.00 174.62 175.39 2otj n GLN 10 N 4.98 1.36 0.00 4.92 3.00 -1.26 -4.81 117.38 125.57 2otj n GLN 10 Ca -0.10 0.45 0.12 0.00 -0.01 0.00 0.00 57.00 57.46 2otj n GLN 10 Cb 0.43 -2.41 0.29 0.00 0.00 0.00 0.00 30.24 28.55 2otj n GLN 10 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2otj n GLY 11 N 5.39 -0.82 3.62 1.08 0.00 -1.16 -4.80 105.19 108.50 2otj n GLY 11 Ca 0.33 -0.40 -0.24 0.00 0.00 0.00 0.00 46.02 45.71 2otj n GLY 11 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2otj s LEU 12 N -2.70 3.03 0.29 0.99 1.43 0.85 -4.92 118.68 117.65 2otj s LEU 12 Ca 0.19 -0.84 0.02 0.00 -1.03 0.00 0.00 54.13 52.47 2otj s LEU 12 Cb 0.18 -1.49 -0.05 0.00 0.03 0.00 0.00 46.19 44.87 2otj s LEU 12 CO 0.60 -0.10 0.12 -1.61 0.23 0.00 0.00 176.35 175.58 2otj s GLU 13 N -3.68 1.54 0.15 1.70 2.02 -1.26 -0.43 118.70 118.74 2otj s GLU 13 Ca 0.33 -1.86 -0.31 0.00 0.02 0.00 0.00 54.97 53.15 2otj s GLU 13 Cb -0.04 -0.30 -0.09 0.00 0.10 0.00 0.00 34.13 33.80 2otj s GLU 13 CO 0.19 -0.35 1.45 0.21 0.02 0.00 0.00 175.26 176.78 2otj s LYS 14 N -3.92 4.28 0.00 1.61 2.20 0.04 -2.25 119.74 121.71 2otj s LYS 14 Ca 0.36 2.19 0.00 0.00 -0.36 0.00 0.00 55.97 58.16 2otj s LYS 14 Cb 0.07 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 2otj s LYS 14 CO 0.15 -0.48 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 2otj n GLY 15 N 3.40 0.55 3.78 5.54 0.00 0.13 -4.97 105.19 113.62 2otj n GLY 15 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.78 2otj n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2otj s SER 16 N -2.68 6.12 -0.30 1.61 0.01 -0.95 -4.69 113.70 112.82 2otj s SER 16 Ca 0.00 2.19 -0.09 0.00 1.31 0.00 0.00 55.95 59.36 2otj s SER 16 Cb 0.00 -2.59 -0.01 0.00 0.21 0.00 0.00 66.02 63.63 2otj s SER 16 CO 0.00 -0.95 0.13 -0.76 0.41 0.00 0.00 173.24 172.08 2otj s LEU 17 N -3.27 3.96 0.42 2.44 1.43 -1.26 -0.92 118.68 121.47 2otj s LEU 17 Ca 0.66 -0.45 0.04 0.00 -1.03 0.00 0.00 54.13 53.35 2otj s LEU 17 Cb -0.25 -1.98 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 2otj s LEU 17 CO 0.30 -0.16 0.03 0.27 0.23 0.00 0.00 176.35 177.02 2otj s ILE 18 N 1.61 1.45 0.07 -0.59 -4.36 0.25 -4.97 121.20 114.66 2otj s ILE 18 Ca 0.05 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.22 2otj s ILE 18 Cb -0.17 -2.66 -0.06 0.00 1.25 0.00 0.00 42.46 40.82 2otj s ILE 18 CO 0.06 0.00 0.64 -0.89 0.24 0.00 0.00 174.94 174.99 2otj s THR 19 N -2.93 4.70 -0.69 8.37 2.01 -0.06 -1.08 115.64 125.96 2otj s THR 19 Ca 0.26 1.37 -0.18 0.00 0.31 0.00 0.00 61.69 63.46 2otj s THR 19 Cb 0.07 -3.98 0.13 0.00 0.01 0.00 0.00 72.50 68.73 2otj s THR 19 CO 0.13 0.49 0.79 0.00 -0.69 0.00 0.00 174.62 175.34 2otj n ALA 21 N 5.92 5.56 -3.83 0.00 0.00 -0.02 -4.80 120.51 123.34 2otj n ALA 21 Ca 0.00 -3.09 0.03 0.00 0.00 0.00 0.00 53.44 50.39 2otj n ALA 21 Cb 0.44 -3.34 0.03 0.00 0.00 0.00 0.00 19.45 16.58 2otj n ALA 21 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2otj n ASP 22 N 4.95 -2.01 -1.95 0.00 5.68 -1.26 -2.58 116.55 119.39 2otj n ASP 22 Ca 0.58 -2.26 -0.22 0.00 -0.50 0.00 0.00 54.79 52.39 2otj n ASP 22 Cb 0.26 3.32 0.13 0.00 -1.14 0.00 0.00 41.12 43.69 2otj n ASP 22 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 2otj n ASN 23 N -1.42 4.82 0.19 -1.12 6.94 -1.09 -4.62 115.26 118.96 2otj n ASN 23 Ca -0.06 -3.74 0.14 0.00 -0.02 0.00 0.00 54.58 50.90 2otj n ASN 23 Cb 0.58 -0.75 0.46 0.00 -2.36 0.00 0.00 39.78 37.71 2otj n ASN 23 CO 0.00 0.00 0.00 0.71 -1.03 0.00 0.00 177.26 176.94 2otj h THR 24 N 1.18 0.00 0.00 5.53 1.35 -1.93 -3.45 112.91 115.59 2otj h THR 24 Ca 0.48 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.79 2otj h THR 24 Cb 1.70 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 69.60 2otj h THR 24 CO 1.02 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.90 2otj n GLY 25 N 0.54 0.54 3.52 5.82 0.00 -1.26 -4.96 105.19 109.38 2otj n GLY 25 Ca 0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2otj n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2otj s ALA 26 N -2.00 3.39 -0.20 4.61 0.00 -1.26 -0.85 121.76 125.45 2otj s ALA 26 Ca 0.00 -1.22 -0.18 0.00 0.00 0.00 0.00 51.96 50.56 2otj s ALA 26 Cb 0.00 -2.41 -0.15 0.00 0.00 0.00 0.00 23.12 20.57 2otj s ALA 26 CO 0.00 -0.69 0.06 0.54 0.00 0.00 0.00 175.76 175.67 2otj n ARG 27 N 5.02 0.54 -4.77 0.00 1.74 0.32 -4.61 116.66 114.90 2otj n ARG 27 Ca -0.14 0.53 -0.33 0.00 -0.77 0.00 0.00 57.85 57.14 2otj n ARG 27 Cb 0.51 -1.70 -0.13 0.00 -1.02 0.00 0.00 32.46 30.11 2otj n ARG 27 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2otj s GLU 28 N -2.37 2.98 0.07 5.56 2.12 -0.63 -1.59 118.70 124.85 2otj s GLU 28 Ca -0.27 -0.66 0.08 0.00 0.36 0.00 0.00 54.97 54.48 2otj s GLU 28 Cb 0.06 -2.55 -0.04 0.00 0.26 0.00 0.00 34.13 31.86 2otj s GLU 28 CO 0.50 0.44 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.98 2otj s LEU 29 N -0.23 2.71 -0.19 2.70 1.43 -0.24 -1.22 118.68 123.64 2otj s LEU 29 Ca 0.01 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.67 2otj s LEU 29 Cb -0.13 -1.57 0.02 0.00 0.03 0.00 0.00 46.19 44.54 2otj s LEU 29 CO 0.03 0.22 -0.19 -0.75 0.23 0.00 0.00 176.35 175.90 2otj s LYS 30 N -1.75 2.90 0.27 1.70 2.20 0.15 -0.59 119.74 124.63 2otj s LYS 30 Ca 0.16 -0.89 -0.30 0.00 -0.36 0.00 0.00 55.97 54.59 2otj s LYS 30 Cb -0.11 -2.62 -0.10 0.00 -1.51 0.00 0.00 37.83 33.49 2otj s LYS 30 CO 0.08 -0.26 1.44 0.08 -0.36 0.00 0.00 175.35 176.33 2otj s VAL 31 N 1.27 2.56 0.00 4.02 1.01 -0.10 -1.27 120.40 127.89 2otj s VAL 31 Ca 0.03 0.49 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2otj s VAL 31 Cb -0.14 -3.31 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2otj s VAL 31 CO -0.12 0.09 0.00 -0.38 0.00 0.00 0.00 175.10 174.69 2otj n ILE 32 N 1.97 0.00 -3.65 2.22 5.41 0.04 0.19 119.36 125.54 2otj n ILE 32 Ca 0.06 0.00 -0.11 0.00 1.00 0.00 0.00 62.75 63.70 2otj n ILE 32 Cb 0.40 -0.65 -0.05 0.00 -0.71 0.00 0.00 39.64 38.63 2otj n ILE 32 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 176.55 176.11 2otj s SER 33 N -4.15 -0.21 -0.26 4.38 0.01 -1.05 -4.77 113.70 107.65 2otj s SER 33 Ca 0.00 -0.30 -0.02 0.00 1.31 0.00 0.00 55.95 56.94 2otj s SER 33 Cb 0.00 0.46 0.03 0.00 0.21 0.00 0.00 66.02 66.72 2otj s SER 33 CO 0.00 -0.82 -0.05 -0.69 0.41 0.00 0.00 173.24 172.09 2otj s VAL 34 N -3.64 2.93 0.13 3.43 1.01 -1.26 -0.51 120.40 122.49 2otj s VAL 34 Ca 0.02 -1.08 -0.35 0.00 0.00 0.00 0.00 61.98 60.57 2otj s VAL 34 Cb 0.02 -2.53 -0.15 0.00 0.00 0.00 0.00 36.38 33.72 2otj s VAL 34 CO -0.11 0.14 1.39 1.57 0.00 0.00 0.00 175.10 178.09 2otj n HIS 35 N 4.66 1.77 -1.08 5.22 -0.00 0.30 -1.71 115.22 124.38 2otj n HIS 35 Ca -0.16 0.52 -0.03 0.00 0.46 0.00 0.00 57.72 58.51 2otj n HIS 35 Cb 0.46 -2.40 -0.01 0.00 -0.12 0.00 0.00 29.99 27.92 2otj n HIS 35 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2otj n GLY 36 N 2.69 0.49 3.73 1.57 0.00 -1.26 -4.79 105.19 107.61 2otj n GLY 36 Ca 0.17 -0.14 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 2otj n GLY 36 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2otj s TYR 37 N -1.73 3.20 -0.10 1.61 5.04 -0.69 -5.10 117.35 119.58 2otj s TYR 37 Ca 0.00 0.18 -0.04 0.00 -2.44 0.00 0.00 57.07 54.77 2otj s TYR 37 Cb 0.00 -1.74 0.05 0.00 0.35 0.00 0.00 41.96 40.62 2otj s TYR 37 CO 0.00 0.51 0.20 -1.54 -1.34 0.00 0.00 175.55 173.38 2otj s SER 38 N -1.41 0.22 0.00 4.32 1.04 -1.26 -4.90 113.70 111.71 2otj s SER 38 Ca 0.19 0.43 0.00 0.00 0.48 0.00 0.00 55.95 57.05 2otj s SER 38 Cb -0.12 0.39 0.00 0.00 0.10 0.00 0.00 66.02 66.39 2otj s SER 38 CO 0.09 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 174.72 2otj n GLY 39 N 4.82 0.94 3.27 7.32 0.00 -1.26 -5.13 105.19 115.14 2otj n GLY 39 Ca -0.15 -0.61 -0.11 0.00 0.00 0.00 0.00 46.02 45.15 2otj n GLY 39 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2otj s THR 40 N 1.13 0.08 0.01 2.61 -1.32 -1.26 -5.07 115.64 111.82 2otj s THR 40 Ca 0.00 -0.69 -0.39 0.00 -1.21 0.00 0.00 61.69 59.41 2otj s THR 40 Cb 0.00 -1.02 -0.18 0.00 -1.51 0.00 0.00 72.50 69.79 2otj s THR 40 CO 0.00 -0.38 1.24 1.17 -2.21 0.00 0.00 174.62 174.45 2otj n LYS 41 N 0.37 0.59 0.00 7.08 4.81 -1.26 -0.93 118.16 128.82 2otj n LYS 41 Ca -0.18 0.21 0.00 0.00 -0.87 0.00 0.00 58.31 57.48 2otj n LYS 41 Cb 0.60 -1.79 0.00 0.00 0.02 0.00 0.00 35.03 33.86 2otj n LYS 41 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 2otj n ASN 42 N 2.23 0.00 -4.69 3.14 3.02 -1.26 -4.99 115.26 112.70 2otj n ASN 42 Ca 0.20 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.33 2otj n ASN 42 Cb 0.13 -0.22 -0.03 0.00 -0.61 0.00 0.00 39.78 39.05 2otj n ASN 42 CO 0.00 0.00 0.00 -0.60 -2.62 0.00 0.00 177.26 174.04 2otj s ARG 43 N 0.00 4.40 -0.26 3.52 3.52 -0.11 -4.99 118.95 125.03 2otj s ARG 43 Ca 0.00 1.60 -0.29 0.00 -0.13 0.00 0.00 55.73 56.91 2otj s ARG 43 Cb 0.00 -3.51 0.01 0.00 -1.56 0.00 0.00 34.95 29.89 2otj s ARG 43 CO 0.00 -0.34 1.16 -0.51 -0.81 0.00 0.00 175.30 174.79 2otj s LEU 44 N 1.85 4.01 -0.26 -0.88 1.43 -1.26 -4.68 118.68 118.89 2otj s LEU 44 Ca 0.54 1.29 -0.38 0.00 -1.03 0.00 0.00 54.13 54.55 2otj s LEU 44 Cb -0.24 -3.54 -0.14 0.00 0.03 0.00 0.00 46.19 42.30 2otj s LEU 44 CO 0.23 -0.86 1.86 -0.81 0.23 0.00 0.00 176.35 177.00 2otj n PRO 45 N 6.80 1.35 -3.59 1.29 -0.04 -1.26 -4.78 135.00 134.77 2otj n PRO 45 Ca 0.13 0.48 -0.32 0.00 -0.04 0.00 0.00 63.50 63.75 2otj n PRO 45 Cb 0.46 -2.27 -0.05 0.00 -0.04 0.00 0.00 33.50 31.60 2otj n PRO 45 CO 0.00 0.00 0.00 -1.59 -0.04 0.00 0.00 175.50 173.87 2otj s LYS 46 N 4.18 3.68 0.00 0.54 -2.85 -1.26 -0.78 119.74 123.26 2otj s LYS 46 Ca 1.00 0.03 0.00 0.00 -1.00 0.00 0.00 55.97 56.00 2otj s LYS 46 Cb -0.96 -2.79 -0.00 0.00 -2.06 0.00 0.00 37.83 32.01 2otj s LYS 46 CO 0.60 0.43 -0.01 0.00 0.10 0.00 0.00 175.35 176.46 2otj s ALA 47 N -1.70 0.09 0.00 0.59 0.00 0.43 -4.88 121.76 116.30 2otj s ALA 47 Ca 0.43 -0.14 0.00 0.00 0.00 0.00 0.00 51.96 52.24 2otj s ALA 47 Cb -0.12 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2otj s ALA 47 CO 0.23 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.39 2otj n GLY 48 N 2.78 4.09 3.67 0.00 0.00 -1.26 -0.10 105.19 114.36 2otj n GLY 48 Ca -0.14 -1.43 -0.45 0.00 0.00 0.00 0.00 46.02 44.00 2otj n GLY 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2otj n LEU 49 N 0.00 3.05 0.00 0.99 4.77 -1.26 -2.26 117.00 122.28 2otj n LEU 49 Ca 0.00 1.15 0.00 0.00 -0.03 0.00 0.00 56.01 57.13 2otj n LEU 49 Cb 0.00 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 39.67 2otj n LEU 49 CO 0.00 -0.54 0.00 0.61 -1.33 0.00 0.00 177.39 176.13 2otj n GLY 50 N 2.05 0.79 3.85 -0.72 0.00 -0.68 -5.00 105.19 105.49 2otj n GLY 50 Ca 0.11 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 2otj n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2otj s ASP 51 N -2.62 6.75 -0.40 1.61 1.01 -0.96 -4.88 116.67 117.19 2otj s ASP 51 Ca 0.00 0.95 -0.18 0.00 0.71 0.00 0.00 52.55 54.03 2otj s ASP 51 Cb 0.00 -2.24 0.01 0.00 1.01 0.00 0.00 42.92 41.70 2otj s ASP 51 CO 0.00 0.16 0.48 -0.75 0.21 0.00 0.00 175.17 175.27 2otj s LYS 52 N -1.83 3.32 0.07 8.23 2.20 -1.26 -1.87 119.74 128.59 2otj s LYS 52 Ca 0.34 -0.51 0.06 0.00 -0.36 0.00 0.00 55.97 55.51 2otj s LYS 52 Cb -0.15 -3.90 -0.04 0.00 -1.51 0.00 0.00 37.83 32.23 2otj s LYS 52 CO 0.18 -0.78 -0.12 0.96 -0.36 0.00 0.00 175.35 175.23 2otj s ILE 53 N 2.29 3.25 0.00 5.43 -4.36 -0.31 -0.54 121.20 126.97 2otj s ILE 53 Ca 0.15 -1.17 -0.23 0.00 -0.26 0.00 0.00 60.65 59.14 2otj s ILE 53 Cb -0.16 -2.47 -0.05 0.00 1.25 0.00 0.00 42.46 41.03 2otj s ILE 53 CO 0.14 0.22 0.69 -0.89 0.24 0.00 0.00 174.94 175.34 2otj s THR 54 N -1.10 4.86 0.08 8.37 2.01 0.33 -1.09 115.64 129.10 2otj s THR 54 Ca 0.19 1.45 0.01 0.00 0.31 0.00 0.00 61.69 63.65 2otj s THR 54 Cb -0.11 -4.03 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 2otj s THR 54 CO 0.10 0.36 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.64 2otj s VAL 55 N 0.07 0.59 0.10 3.82 1.01 0.18 -0.78 120.40 125.39 2otj s VAL 55 Ca 0.36 -1.76 0.10 0.00 0.00 0.00 0.00 61.98 60.68 2otj s VAL 55 Cb -0.19 -1.45 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2otj s VAL 55 CO 0.20 -0.80 -0.27 -0.94 0.00 0.00 0.00 175.10 173.29 2otj s SER 56 N -2.75 3.23 -0.44 3.32 1.04 -0.40 -0.58 113.70 117.12 2otj s SER 56 Ca 0.07 -0.70 -0.22 0.00 0.48 0.00 0.00 55.95 55.58 2otj s SER 56 Cb 0.03 -0.24 0.02 0.00 0.10 0.00 0.00 66.02 65.94 2otj s SER 56 CO -0.05 0.20 0.73 -0.69 0.98 0.00 0.00 173.24 174.42 2otj s VAL 57 N -0.98 4.72 -0.02 5.02 1.01 -0.85 -0.68 120.40 128.62 2otj s VAL 57 Ca 0.13 0.34 -0.12 0.00 0.00 0.00 0.00 61.98 62.33 2otj s VAL 57 Cb -0.10 -4.27 -0.32 0.00 0.00 0.00 0.00 36.38 31.68 2otj s VAL 57 CO 0.05 -0.66 0.79 0.74 0.00 0.00 0.00 175.10 176.02 2otj h THR 58 N 5.93 1.06 -4.04 3.92 2.02 -1.50 -1.70 112.91 118.59 2otj h THR 58 Ca -0.25 -2.59 -0.40 0.00 0.77 0.00 0.00 66.41 63.95 2otj h THR 58 Cb 1.09 2.86 -0.28 0.00 -1.74 0.00 0.00 68.15 70.08 2otj h THR 58 CO 0.93 0.84 -0.78 -0.54 0.37 0.00 0.00 175.52 176.35 2otj s LYS 59 N -2.59 0.76 0.00 6.66 1.02 -1.14 -4.90 119.74 119.56 2otj s LYS 59 Ca -0.13 -0.39 0.00 0.00 0.02 0.00 0.00 55.97 55.47 2otj s LYS 59 Cb 0.05 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.63 2otj s LYS 59 CO 0.89 0.20 0.00 0.41 -0.92 0.00 0.00 175.35 175.92 2otj n GLY 60 N 2.72 0.26 3.76 -3.33 0.00 -1.26 -0.52 105.19 106.81 2otj n GLY 60 Ca -0.14 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 43.97 2otj n GLY 60 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2otj s THR 61 N -2.93 2.58 0.23 2.61 -4.23 -0.03 -4.72 115.64 109.15 2otj s THR 61 Ca 0.00 0.39 -0.10 0.00 -1.18 0.00 0.00 61.69 60.80 2otj s THR 61 Cb 0.00 -3.17 0.24 0.00 1.34 0.00 0.00 72.50 70.91 2otj s THR 61 CO 0.00 -0.05 1.64 -0.65 -0.54 0.00 0.00 174.62 175.02 2otj h PRO 62 N 1.21 0.08 -0.70 3.99 0.11 -1.94 0.13 132.00 134.88 2otj h PRO 62 Ca -0.50 -0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 2otj h PRO 62 Cb 1.29 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 2otj h PRO 62 CO 0.56 0.05 0.25 0.93 -0.21 0.00 0.00 178.00 179.58 2otj h GLU 63 N 0.08 1.06 0.01 1.05 4.39 -1.97 -3.06 114.58 116.13 2otj h GLU 63 Ca 0.35 -0.20 -0.22 0.00 0.34 0.00 0.00 59.36 59.63 2otj h GLU 63 Cb 0.58 -0.17 -0.00 0.00 -0.10 0.00 0.00 28.75 29.07 2otj h GLU 63 CO -0.62 0.88 -0.93 0.52 -1.16 0.00 0.00 179.01 177.70 2otj h MET 64 N 1.03 0.34 -6.97 2.33 2.86 -1.52 -3.45 114.93 109.54 2otj h MET 64 Ca 0.23 -0.37 -0.56 0.00 -2.06 0.00 0.00 59.70 56.94 2otj h MET 64 Cb 0.24 0.11 0.17 0.00 0.06 0.00 0.00 31.60 32.18 2otj h MET 64 CO -0.01 1.06 0.25 0.54 1.06 0.00 0.00 176.91 179.81 2otj n ARG 65 N -3.71 0.80 -0.68 1.72 1.74 0.31 -2.88 116.66 113.96 2otj n ARG 65 Ca -0.06 0.33 0.00 0.00 -0.77 0.00 0.00 57.85 57.35 2otj n ARG 65 Cb 0.83 -2.31 0.00 0.00 -1.02 0.00 0.00 32.46 29.96 2otj n ARG 65 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2otj n ARG 66 N -1.68 -0.36 -2.96 5.56 1.74 -0.64 -4.94 116.66 113.38 2otj n ARG 66 Ca 0.14 0.09 -0.36 0.00 -0.77 0.00 0.00 57.85 56.96 2otj n ARG 66 Cb 0.48 -4.24 -0.06 0.00 -1.02 0.00 0.00 32.46 27.62 2otj n ARG 66 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2otj s GLN 67 N -1.00 4.34 -0.35 5.56 -0.21 -1.14 -4.80 119.66 122.06 2otj s GLN 67 Ca 0.00 1.04 -0.11 0.00 0.02 0.00 0.00 55.36 56.30 2otj s GLN 67 Cb 0.00 -2.74 0.01 0.00 1.00 0.00 0.00 33.01 31.27 2otj s GLN 67 CO 0.00 0.29 0.21 0.08 -2.12 0.00 0.00 175.29 173.75 2otj s VAL 68 N -1.66 4.83 0.21 1.09 1.01 -1.26 -2.00 120.40 122.62 2otj s VAL 68 Ca 0.48 -0.55 0.01 0.00 0.00 0.00 0.00 61.98 61.93 2otj s VAL 68 Cb -0.16 -3.57 -0.05 0.00 0.00 0.00 0.00 36.38 32.60 2otj s VAL 68 CO 0.21 -0.10 0.05 -0.76 0.00 0.00 0.00 175.10 174.50 2otj s LEU 69 N 1.63 1.86 0.27 3.92 1.43 0.25 -4.97 118.68 123.07 2otj s LEU 69 Ca 0.04 -1.27 -0.01 0.00 -1.03 0.00 0.00 54.13 51.86 2otj s LEU 69 Cb -0.18 0.01 -0.04 0.00 0.03 0.00 0.00 46.19 46.01 2otj s LEU 69 CO 0.08 -0.65 0.49 -1.61 0.23 0.00 0.00 176.35 174.88 2otj s GLU 70 N -3.98 3.54 0.27 1.70 2.02 -1.26 0.47 118.70 121.45 2otj s GLU 70 Ca 0.30 -0.26 -0.18 0.00 0.02 0.00 0.00 54.97 54.85 2otj s GLU 70 Cb 0.07 -2.73 0.01 0.00 0.10 0.00 0.00 34.13 31.58 2otj s GLU 70 CO 0.08 0.27 0.63 0.00 0.02 0.00 0.00 175.26 176.26 2otj s ALA 71 N -2.08 -0.87 -0.06 5.21 0.00 -0.25 -0.72 121.76 123.00 2otj s ALA 71 Ca 0.40 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2otj s ALA 71 Cb -0.10 0.93 -0.00 0.00 0.00 0.00 0.00 23.12 23.94 2otj s ALA 71 CO 0.32 -0.97 -0.19 0.08 0.00 0.00 0.00 175.76 175.00 2otj s VAL 72 N -3.95 1.58 -0.31 0.00 1.01 -0.69 -1.17 120.40 116.87 2otj s VAL 72 Ca 0.15 -0.78 -0.29 0.00 0.00 0.00 0.00 61.98 61.06 2otj s VAL 72 Cb -0.04 -1.36 0.00 0.00 0.00 0.00 0.00 36.38 34.98 2otj s VAL 72 CO 0.07 0.45 1.28 -0.69 0.00 0.00 0.00 175.10 176.21 2otj s VAL 73 N 0.16 4.17 -0.16 2.92 1.01 -0.78 -1.12 120.40 126.61 2otj s VAL 73 Ca -0.08 1.32 0.10 0.00 0.00 0.00 0.00 61.98 63.32 2otj s VAL 73 Cb -0.14 -4.20 -0.23 0.00 0.00 0.00 0.00 36.38 31.81 2otj s VAL 73 CO 0.04 -0.50 0.21 0.52 0.00 0.00 0.00 175.10 175.36 2otj n VAL 74 N 6.22 1.53 -3.93 2.92 0.31 0.45 -1.69 118.33 124.14 2otj n VAL 74 Ca 0.14 -0.75 -0.10 0.00 -0.01 0.00 0.00 64.34 63.62 2otj n VAL 74 Cb 0.47 -1.00 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 2otj n VAL 74 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2otj s ARG 75 N -2.54 0.50 -0.10 5.55 0.52 -0.74 -3.47 118.95 118.67 2otj s ARG 75 Ca -0.16 -0.63 -0.20 0.00 -0.52 0.00 0.00 55.73 54.23 2otj s ARG 75 Cb 0.07 0.20 0.05 0.00 0.52 0.00 0.00 34.95 35.78 2otj s ARG 75 CO 0.77 -0.12 0.49 1.14 0.02 0.00 0.00 175.30 177.60 2otj s GLN 76 N -2.02 0.72 0.23 3.54 -2.07 -1.19 -0.99 119.66 117.88 2otj s GLN 76 Ca -0.10 0.33 -0.00 0.00 -1.82 0.00 0.00 55.36 53.76 2otj s GLN 76 Cb -0.05 0.34 0.24 0.00 -1.09 0.00 0.00 33.01 32.45 2otj s GLN 76 CO -0.02 -0.17 1.59 0.00 -1.32 0.00 0.00 175.29 175.38 2otj h ARG 77 N 4.34 0.49 -6.56 9.60 3.08 -1.74 -2.16 114.38 121.43 2otj h ARG 77 Ca -0.28 -0.26 -0.53 0.00 0.07 0.00 0.00 59.98 58.98 2otj h ARG 77 Cb 1.17 0.01 0.02 0.00 0.08 0.00 0.00 29.97 31.25 2otj h ARG 77 CO 0.30 0.84 0.67 0.21 -1.07 0.00 0.00 179.97 180.91 2otj s LYS 78 N -4.16 4.37 0.71 0.04 2.47 -1.26 -4.27 119.74 117.63 2otj s LYS 78 Ca -0.07 1.99 -0.16 0.00 -1.56 0.00 0.00 55.97 56.17 2otj s LYS 78 Cb 0.12 -3.26 0.00 0.00 -1.46 0.00 0.00 37.83 33.24 2otj s LYS 78 CO 0.82 -0.34 0.99 -2.30 0.16 0.00 0.00 175.35 174.67 2otj n PRO 79 N 3.62 0.57 -4.28 4.03 -0.02 -1.26 -4.79 135.00 132.86 2otj n PRO 79 Ca 0.09 0.25 -0.19 0.00 -2.02 0.00 0.00 63.50 61.64 2otj n PRO 79 Cb 0.43 -2.24 -0.11 0.00 -0.02 0.00 0.00 33.50 31.57 2otj n PRO 79 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 2otj s ILE 80 N -1.77 1.52 -0.24 4.25 -4.36 -0.47 -4.08 121.20 116.05 2otj s ILE 80 Ca 0.74 -1.89 -0.04 0.00 -0.26 0.00 0.00 60.65 59.21 2otj s ILE 80 Cb -0.35 -1.73 0.00 0.00 1.25 0.00 0.00 42.46 41.63 2otj s ILE 80 CO 0.49 -0.45 -0.03 -0.60 0.24 0.00 0.00 174.94 174.60 2otj s ARG 81 N -2.96 3.24 0.47 0.37 3.52 0.77 -0.56 118.95 123.79 2otj s ARG 81 Ca 0.14 -0.72 -0.13 0.00 -0.13 0.00 0.00 55.73 54.89 2otj s ARG 81 Cb -0.04 -3.06 -0.07 0.00 -1.56 0.00 0.00 34.95 30.23 2otj s ARG 81 CO 0.04 -0.27 0.87 1.03 -0.81 0.00 0.00 175.30 176.17 2otj s ARG 82 N 1.46 3.82 0.54 5.12 0.52 -0.62 -0.57 118.95 129.21 2otj s ARG 82 Ca 0.04 0.66 0.44 0.00 -0.52 0.00 0.00 55.73 56.36 2otj s ARG 82 Cb -0.15 -2.27 1.65 0.00 0.52 0.00 0.00 34.95 34.70 2otj s ARG 82 CO -0.03 -0.18 1.65 -1.35 0.02 0.00 0.00 175.30 175.42 2otj h PRO 83 N 0.95 0.01 -0.47 3.54 0.11 -1.89 0.33 132.00 134.57 2otj h PRO 83 Ca -0.47 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2otj h PRO 83 Cb 1.19 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 2otj h PRO 83 CO 0.63 0.01 0.00 -0.40 -0.21 0.00 0.00 178.00 178.02 2otj n ASP 84 N -4.09 1.64 0.00 -2.05 5.75 -1.26 -4.89 116.55 111.65 2otj n ASP 84 Ca 0.38 -2.11 0.00 0.00 -0.01 0.00 0.00 54.79 53.06 2otj n ASP 84 Cb 1.73 -0.30 0.00 0.00 -1.03 0.00 0.00 41.12 41.51 2otj n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2otj n GLY 85 N 0.59 2.92 3.75 6.12 0.00 0.11 -5.01 105.19 113.67 2otj n GLY 85 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.68 2otj n GLY 85 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2otj s THR 86 N -1.86 2.76 0.21 2.61 2.01 -1.25 -4.72 115.64 115.40 2otj s THR 86 Ca 0.00 0.67 -0.13 0.00 0.31 0.00 0.00 61.69 62.55 2otj s THR 86 Cb 0.00 -3.43 -0.07 0.00 0.01 0.00 0.00 72.50 69.01 2otj s THR 86 CO 0.00 0.12 0.59 -0.13 -0.69 0.00 0.00 174.62 174.51 2otj s ARG 87 N -0.82 3.93 -0.07 4.92 1.81 -1.26 -1.59 118.95 125.86 2otj s ARG 87 Ca 0.55 0.45 -0.01 0.00 -1.72 0.00 0.00 55.73 55.01 2otj s ARG 87 Cb -0.40 -2.74 0.03 0.00 -0.45 0.00 0.00 34.95 31.39 2otj s ARG 87 CO 0.46 0.36 -0.02 0.08 -0.68 0.00 0.00 175.30 175.50 2otj s VAL 88 N -1.69 0.48 0.08 3.52 1.01 0.27 -4.91 120.40 119.17 2otj s VAL 88 Ca 0.44 0.02 0.05 0.00 0.00 0.00 0.00 61.98 62.49 2otj s VAL 88 Cb -0.13 -0.59 -0.03 0.00 0.00 0.00 0.00 36.38 35.63 2otj s VAL 88 CO 0.20 0.26 -0.12 -1.59 0.00 0.00 0.00 175.10 173.85 2otj s LYS 89 N 1.70 0.81 0.41 2.72 -2.85 -1.26 -1.37 119.74 119.90 2otj s LYS 89 Ca 0.01 -1.01 0.08 0.00 -1.00 0.00 0.00 55.97 54.05 2otj s LYS 89 Cb -0.13 -0.70 -0.02 0.00 -2.06 0.00 0.00 37.83 34.92 2otj s LYS 89 CO -0.04 0.14 0.37 -0.06 0.10 0.00 0.00 175.35 175.86 2otj s PHE 90 N -1.67 2.72 0.20 1.78 0.40 -0.81 -5.02 117.98 115.57 2otj s PHE 90 Ca 0.00 -0.49 -0.01 0.00 -0.60 0.00 0.00 56.93 55.83 2otj s PHE 90 Cb -0.08 -2.15 0.14 0.00 0.51 0.00 0.00 43.02 41.44 2otj s PHE 90 CO 0.02 -0.10 1.51 1.49 0.70 0.00 0.00 175.22 178.84 2otj h GLU 91 N 1.05 0.47 0.00 0.44 4.22 -1.94 -3.38 114.58 115.44 2otj h GLU 91 Ca -0.42 -0.31 -0.30 0.00 0.08 0.00 0.00 59.36 58.42 2otj h GLU 91 Cb 1.27 0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.48 2otj h GLU 91 CO 0.58 0.91 -0.28 -0.40 -2.18 0.00 0.00 179.01 177.64 2otj n ASP 92 N -3.93 -0.54 -4.48 1.04 5.75 -1.26 -4.90 116.55 108.23 2otj n ASP 92 Ca -0.03 -2.44 -0.34 0.00 -0.01 0.00 0.00 54.79 51.98 2otj n ASP 92 Cb 0.61 1.20 -0.12 0.00 -1.03 0.00 0.00 41.12 41.78 2otj n ASP 92 CO 0.00 0.00 0.00 0.20 -0.11 0.00 0.00 177.20 177.29 2otj s ASN 93 N -2.54 4.64 0.01 -1.12 0.01 -1.26 -3.19 114.94 111.48 2otj s ASN 93 Ca 0.26 -0.16 -0.13 0.00 -0.71 0.00 0.00 52.86 52.12 2otj s ASN 93 Cb 0.01 -1.72 0.02 0.00 0.41 0.00 0.00 41.25 39.96 2otj s ASN 93 CO 0.18 0.18 0.27 0.00 -1.51 0.00 0.00 177.10 176.22 2otj s ALA 94 N 0.30 -0.64 0.08 0.60 0.00 -0.16 -0.88 121.76 121.06 2otj s ALA 94 Ca -0.05 0.11 0.00 0.00 0.00 0.00 0.00 51.96 52.02 2otj s ALA 94 Cb -0.14 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2otj s ALA 94 CO 0.03 -0.30 -0.04 0.00 0.00 0.00 0.00 175.76 175.45 2otj s ALA 95 N -1.77 0.75 -0.14 0.00 0.00 0.66 -0.41 121.76 120.86 2otj s ALA 95 Ca -0.11 -1.29 0.01 0.00 0.00 0.00 0.00 51.96 50.57 2otj s ALA 95 Cb -0.04 0.25 0.02 0.00 0.00 0.00 0.00 23.12 23.35 2otj s ALA 95 CO 0.01 -0.31 -0.18 0.08 0.00 0.00 0.00 175.76 175.36 2otj s VAL 96 N -3.79 1.77 0.36 0.00 1.01 -0.27 -0.84 120.40 118.65 2otj s VAL 96 Ca 0.10 -0.79 -0.28 0.00 0.00 0.00 0.00 61.98 61.02 2otj s VAL 96 Cb 0.07 -1.61 -0.12 0.00 0.00 0.00 0.00 36.38 34.72 2otj s VAL 96 CO -0.07 0.49 1.41 -0.38 0.00 0.00 0.00 175.10 176.56 2otj n ILE 97 N 4.40 1.98 -4.15 2.22 5.41 -1.26 -1.71 119.36 126.26 2otj n ILE 97 Ca -0.19 -0.50 -0.12 0.00 1.00 0.00 0.00 62.75 62.95 2otj n ILE 97 Cb 0.51 -1.82 -0.10 0.00 -0.71 0.00 0.00 39.64 37.51 2otj n ILE 97 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 2otj s VAL 98 N -1.09 0.69 0.00 1.39 1.01 0.10 -1.84 120.40 120.67 2otj s VAL 98 Ca 0.54 -1.71 0.00 0.00 0.00 0.00 0.00 61.98 60.81 2otj s VAL 98 Cb -0.51 -1.40 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2otj s VAL 98 CO 0.63 -0.72 0.00 -0.90 0.00 0.00 0.00 175.10 174.11 2otj n ASP 99 N 0.37 0.17 -0.32 3.32 5.68 -0.99 -4.01 116.55 120.77 2otj n ASP 99 Ca -0.15 -0.71 0.09 0.00 -0.50 0.00 0.00 54.79 53.51 2otj n ASP 99 Cb 0.59 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.82 2otj n ASP 99 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 2otj h GLU 100 N 0.00 0.68 -0.36 0.11 5.08 -1.99 -1.65 114.58 116.45 2otj h GLU 100 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2otj h GLU 100 Cb 0.00 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 29.10 2otj h GLU 100 CO 0.00 0.45 0.00 0.09 -1.00 0.00 0.00 179.01 178.55 2otj n ASN 101 N -4.82 2.48 -0.38 1.42 3.02 -1.26 -4.94 115.26 110.78 2otj n ASN 101 Ca 0.19 -1.90 -0.05 0.00 -0.03 0.00 0.00 54.58 52.79 2otj n ASN 101 Cb 0.46 -0.23 -0.02 0.00 -0.61 0.00 0.00 39.78 39.37 2otj n ASN 101 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2otj n GLU 102 N 0.85 -0.41 -3.25 3.52 1.02 -0.62 -5.02 120.64 116.72 2otj n GLU 102 Ca 0.17 0.63 -0.39 0.00 -0.02 0.00 0.00 57.16 57.55 2otj n GLU 102 Cb 0.43 -4.32 -0.06 0.00 -0.02 0.00 0.00 31.44 27.47 2otj n GLU 102 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2otj s ASP 103 N -2.82 6.92 0.40 1.62 1.01 -1.26 -4.51 116.67 118.03 2otj s ASP 103 Ca 0.00 1.09 -0.26 0.00 0.71 0.00 0.00 52.55 54.09 2otj s ASP 103 Cb 0.00 -2.34 -0.11 0.00 1.01 0.00 0.00 42.92 41.48 2otj s ASP 103 CO 0.00 0.11 1.16 -0.81 0.21 0.00 0.00 175.17 175.84 2otj n PRO 104 N 2.75 1.70 0.03 8.23 -0.04 -1.26 -2.34 135.00 144.08 2otj n PRO 104 Ca -0.08 0.61 -0.08 0.00 -0.04 0.00 0.00 63.50 63.91 2otj n PRO 104 Cb 0.51 -2.21 0.07 0.00 -0.04 0.00 0.00 33.50 31.83 2otj n PRO 104 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2otj h ARG 105 N 1.94 0.45 0.00 0.54 2.43 -1.69 -3.46 114.38 114.59 2otj h ARG 105 Ca -0.46 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.39 2otj h ARG 105 Cb 1.31 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 30.91 2otj h ARG 105 CO 0.59 0.91 0.01 0.41 -1.51 0.00 0.00 179.97 180.38 2otj n GLY 106 N 0.29 0.17 0.08 2.80 0.00 -1.26 -4.98 105.19 102.28 2otj n GLY 106 Ca -0.03 -1.87 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 2otj n GLY 106 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2otj n THR 107 N -1.66 0.98 -4.25 2.61 -1.04 -1.26 -5.01 114.28 104.66 2otj n THR 107 Ca 0.01 -0.53 -0.21 0.00 -2.04 0.00 0.00 64.05 61.28 2otj n THR 107 Cb 0.03 -0.79 -0.12 0.00 -1.82 0.00 0.00 70.33 67.62 2otj n THR 107 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 2otj s GLU 108 N -2.34 0.96 -0.26 -2.82 2.02 -1.26 -5.04 118.70 109.96 2otj s GLU 108 Ca -0.13 -1.01 -0.05 0.00 0.02 0.00 0.00 54.97 53.80 2otj s GLU 108 Cb 0.05 -1.07 0.00 0.00 0.10 0.00 0.00 34.13 33.21 2otj s GLU 108 CO 0.52 0.25 0.02 -0.51 0.02 0.00 0.00 175.26 175.56 2otj s LEU 109 N -1.72 3.42 0.49 1.80 1.43 -1.25 -2.66 118.68 120.18 2otj s LEU 109 Ca 0.02 -0.57 -0.19 0.00 -1.03 0.00 0.00 54.13 52.36 2otj s LEU 109 Cb -0.10 -1.82 -0.08 0.00 0.03 0.00 0.00 46.19 44.22 2otj s LEU 109 CO 0.03 -0.11 1.01 -0.54 0.23 0.00 0.00 176.35 176.97 2otj s LYS 110 N 1.49 3.87 0.35 1.70 1.02 -1.06 -4.38 119.74 122.71 2otj s LYS 110 Ca 0.04 1.23 0.00 0.00 0.02 0.00 0.00 55.97 57.26 2otj s LYS 110 Cb -0.16 -2.11 0.00 0.00 -0.52 0.00 0.00 37.83 35.04 2otj s LYS 110 CO 0.00 -0.36 0.00 0.41 -0.92 0.00 0.00 175.35 174.48 2otj n GLY 111 N -0.61 -2.24 2.71 -3.33 0.00 -1.26 -4.73 105.19 95.73 2otj n GLY 111 Ca 0.08 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.69 2otj n GLY 111 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2otj n PRO 112 N -3.86 -1.78 -3.75 1.61 -0.04 -1.26 -4.51 135.00 121.41 2otj n PRO 112 Ca -0.02 -1.40 -0.12 0.00 -0.04 0.00 0.00 63.50 61.93 2otj n PRO 112 Cb 0.55 -1.11 -0.07 0.00 -0.04 0.00 0.00 33.50 32.83 2otj n PRO 112 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2otj s ILE 113 N -2.80 0.08 0.07 0.52 1.01 -0.81 -4.88 121.20 114.40 2otj s ILE 113 Ca 0.54 -0.64 -0.26 0.00 0.00 0.00 0.00 60.65 60.29 2otj s ILE 113 Cb -0.03 -0.90 -0.06 0.00 0.01 0.00 0.00 42.46 41.48 2otj s ILE 113 CO 0.39 -0.35 0.82 0.00 0.00 0.00 0.00 174.94 175.80 2otj s ALA 114 N -2.39 3.34 0.59 9.38 0.00 -1.23 -0.36 121.76 131.09 2otj s ALA 114 Ca -0.06 0.37 0.29 0.00 0.00 0.00 0.00 51.96 52.56 2otj s ALA 114 Cb -0.01 -3.07 1.63 0.00 0.00 0.00 0.00 23.12 21.66 2otj s ALA 114 CO -0.02 0.06 2.06 0.07 0.00 0.00 0.00 175.76 177.92 2otj h ARG 115 N 5.54 0.00 0.00 0.00 0.11 -1.39 -1.75 114.38 116.89 2otj h ARG 115 Ca -0.44 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.60 2otj h ARG 115 Cb 1.21 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.28 2otj h ARG 115 CO 0.71 0.00 -0.19 0.93 0.10 0.00 0.00 179.97 181.52 2otj h GLU 116 N 0.00 0.00 0.00 0.08 3.07 -1.86 -2.77 114.58 113.10 2otj h GLU 116 Ca 0.11 0.00 -0.06 0.00 -0.50 0.00 0.00 59.36 58.91 2otj h GLU 116 Cb 0.62 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.52 2otj h GLU 116 CO -0.00 0.19 -0.28 0.28 -1.40 0.00 0.00 179.01 177.79 2otj h VAL 117 N 0.00 0.71 -0.01 3.13 2.07 -1.66 -3.16 116.25 117.33 2otj h VAL 117 Ca -0.00 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.27 2otj h VAL 117 Cb 0.60 1.80 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 2otj h VAL 117 CO 0.02 0.28 0.00 0.00 0.02 0.00 0.00 177.57 177.90 2otj h ALA 118 N 1.72 0.01 -0.71 1.67 0.00 -1.63 0.68 119.26 121.00 2otj h ALA 118 Ca -0.00 -0.04 0.20 0.00 0.00 0.00 0.00 54.91 55.06 2otj h ALA 118 Cb 0.78 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2otj h ALA 118 CO 0.04 -0.45 0.50 1.96 0.00 0.00 0.00 179.25 181.30 2otj h GLN 119 N -0.07 0.06 0.00 0.00 4.20 -1.67 -3.17 115.11 114.47 2otj h GLN 119 Ca 0.00 -0.00 -0.13 0.00 0.06 0.00 0.00 58.65 58.58 2otj h GLN 119 Cb 0.08 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 2otj h GLN 119 CO -0.00 0.04 -0.97 0.54 -0.67 0.00 0.00 178.83 177.77 2otj n ARG 120 N -4.36 0.51 -3.76 1.46 1.74 -0.98 -4.80 116.66 106.48 2otj n ARG 120 Ca 0.14 0.52 -0.36 0.00 -0.77 0.00 0.00 57.85 57.39 2otj n ARG 120 Cb 0.74 -1.70 -0.11 0.00 -1.02 0.00 0.00 32.46 30.37 2otj n ARG 120 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2otj s PHE 121 N -2.34 3.44 0.06 -1.55 0.40 0.20 -4.97 117.98 113.22 2otj s PHE 121 Ca -0.23 -2.70 -0.29 0.00 -0.60 0.00 0.00 56.93 53.12 2otj s PHE 121 Cb 0.05 -3.16 -0.17 0.00 0.51 0.00 0.00 43.02 40.24 2otj s PHE 121 CO 0.41 -0.87 1.59 0.78 0.70 0.00 0.00 175.22 177.83 2otj h GLY 122 N 7.24 -0.57 2.00 4.36 0.00 -1.80 -1.80 103.07 112.50 2otj h GLY 122 Ca -0.05 0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.49 2otj h GLY 122 CO 0.70 -0.21 0.00 1.48 0.00 0.00 0.00 176.54 178.52 2otj h SER 123 N -0.61 0.00 0.04 0.19 4.64 -1.91 0.38 113.55 116.28 2otj h SER 123 Ca -0.06 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.19 2otj h SER 123 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.55 2otj h SER 123 CO 0.09 0.00 -0.34 0.58 -0.87 0.00 0.00 176.83 176.29 2otj h VAL 124 N 0.00 1.64 -0.38 0.95 2.07 -1.72 -3.35 116.25 115.46 2otj h VAL 124 Ca 0.00 -2.39 -0.02 0.00 0.82 0.00 0.00 66.70 65.12 2otj h VAL 124 Cb 0.01 3.25 -0.02 0.00 -1.52 0.00 0.00 31.29 33.02 2otj h VAL 124 CO 0.00 0.62 0.18 0.00 0.02 0.00 0.00 177.57 178.39 2otj h ALA 125 N -0.01 0.49 0.00 1.67 0.00 -0.35 -2.76 119.26 118.30 2otj h ALA 125 Ca -0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2otj h ALA 125 Cb 1.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2otj h ALA 125 CO 0.03 0.06 -0.03 -1.13 0.00 0.00 0.00 179.25 178.18 2otj n SER 126 N -4.70 3.75 0.00 0.00 3.41 0.12 0.01 113.62 116.20 2otj n SER 126 Ca -0.00 -2.04 0.00 0.00 -0.26 0.00 0.00 58.87 56.57 2otj n SER 126 Cb 0.12 -0.84 0.00 0.00 -0.26 0.00 0.00 64.21 63.22 2otj n SER 126 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2otj n ALA 127 N 1.89 0.00 -1.98 7.33 0.00 -1.05 -4.94 120.51 121.76 2otj n ALA 127 Ca 0.07 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.10 2otj n ALA 127 Cb 0.42 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.83 2otj n ALA 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2otj s ALA 128 N 0.00 3.39 -0.09 0.00 0.00 0.10 -3.97 121.76 121.19 2otj s ALA 128 Ca 0.00 0.85 -0.26 0.00 0.00 0.00 0.00 51.96 52.55 2otj s ALA 128 Cb 0.00 -3.35 -0.26 0.00 0.00 0.00 0.00 23.12 19.51 2otj s ALA 128 CO 0.00 -0.21 0.89 1.15 0.00 0.00 0.00 175.76 177.59 2otj h THR 129 N 3.56 1.65 -4.21 0.00 2.02 -1.82 -3.46 112.91 110.65 2otj h THR 129 Ca -0.45 -2.24 -0.50 0.00 0.77 0.00 0.00 66.41 63.99 2otj h THR 129 Cb 1.21 3.14 -0.28 0.00 -1.74 0.00 0.00 68.15 70.48 2otj h THR 129 CO 0.71 0.60 -0.82 -0.04 0.37 0.00 0.00 175.52 176.35 2otj s MET 130 N -2.59 1.19 -0.29 6.66 -1.94 -1.26 -5.10 119.30 115.98 2otj s MET 130 Ca -0.17 -0.60 -0.01 0.00 -1.71 0.00 0.00 55.69 53.20 2otj s MET 130 Cb -0.01 -1.17 0.09 0.00 2.01 0.00 0.00 34.83 35.75 2otj s MET 130 CO 0.74 0.32 0.08 0.42 -0.01 0.00 0.00 175.02 176.57 2otj s ILE 131 N -0.45 0.80 -2.43 2.53 1.01 -1.26 -1.92 121.20 119.48 2otj s ILE 131 Ca 0.05 -1.24 0.29 0.00 0.00 0.00 0.00 60.65 59.75 2otj s ILE 131 Cb -0.06 -1.55 0.60 0.00 0.01 0.00 0.00 42.46 41.46 2otj s ILE 131 CO -0.00 -0.59 1.81 0.52 0.00 0.00 0.00 174.94 176.68