#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ver s TRP 2 N 0.00 -0.31 -0.07 0.00 1.48 -1.15 -5.01 118.94 113.87 1ver s TRP 2 Ca 0.00 0.16 0.00 0.00 -1.06 0.00 0.00 56.10 55.20 1ver s TRP 2 Cb 0.00 0.55 -0.03 0.00 -1.16 0.00 0.00 33.47 32.83 1ver s TRP 2 CO 0.00 -0.58 -0.05 0.08 -4.06 0.00 0.00 176.95 172.34 1ver s VAL 3 N -3.14 3.87 -0.43 -0.66 1.01 -1.26 -0.38 120.40 119.41 1ver s VAL 3 Ca 0.06 -0.42 -0.01 0.00 0.00 0.00 0.00 61.98 61.62 1ver s VAL 3 Cb -0.01 -2.59 0.12 0.00 0.00 0.00 0.00 36.38 33.89 1ver s VAL 3 CO -0.07 0.60 0.20 -0.62 0.00 0.00 0.00 175.10 175.21 1ver s ASP 4 N -0.80 5.09 -0.02 3.32 3.68 -0.34 -4.46 116.67 123.15 1ver s ASP 4 Ca 0.12 -2.22 -0.01 0.00 2.13 0.00 0.00 52.55 52.57 1ver s ASP 4 Cb -0.11 -1.78 -0.04 0.00 -1.45 0.00 0.00 42.92 39.54 1ver s ASP 4 CO 0.02 -0.47 0.08 -1.58 0.13 0.00 0.00 175.17 173.35 1ver s GLN 5 N 0.85 3.09 -0.25 4.34 0.74 -1.26 -1.65 119.66 125.52 1ver s GLN 5 Ca 0.10 -0.45 -0.14 0.00 0.05 0.00 0.00 55.36 54.93 1ver s GLN 5 Cb -0.22 -2.88 0.08 0.00 1.10 0.00 0.00 33.01 31.09 1ver s GLN 5 CO -0.05 0.66 0.61 0.99 -0.55 0.00 0.00 175.29 176.96 1ver s THR 6 N -1.16 -0.12 0.77 -0.34 2.01 -0.66 -4.53 115.64 111.61 1ver s THR 6 Ca 0.21 0.03 -0.10 0.00 0.31 0.00 0.00 61.69 62.15 1ver s THR 6 Cb -0.12 -0.90 0.07 0.00 0.01 0.00 0.00 72.50 71.57 1ver s THR 6 CO 0.12 0.01 1.11 -2.16 -0.69 0.00 0.00 174.62 173.01 1ver s PRO 7 N 1.74 2.03 0.12 4.92 0.04 -1.26 -0.60 135.00 141.98 1ver s PRO 7 Ca -0.09 -0.07 0.26 0.00 0.04 0.00 0.00 61.00 61.14 1ver s PRO 7 Cb -0.07 -2.05 0.77 0.00 0.04 0.00 0.00 34.50 33.19 1ver s PRO 7 CO -0.18 -1.46 1.66 0.54 0.04 0.00 0.00 177.00 177.61 1ver n ARG 8 N -3.15 0.18 -3.67 4.56 3.00 -1.26 -4.29 116.66 112.02 1ver n ARG 8 Ca 0.08 0.11 -0.09 0.00 -0.01 0.00 0.00 57.85 57.94 1ver n ARG 8 Cb 0.61 -1.67 -0.09 0.00 0.00 0.00 0.00 32.46 31.30 1ver n ARG 8 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.63 178.58 1ver s THR 9 N -3.08 -0.02 -0.22 0.55 -4.23 -1.26 -2.66 115.64 104.71 1ver s THR 9 Ca 0.10 0.06 -0.04 0.00 -1.18 0.00 0.00 61.69 60.63 1ver s THR 9 Cb 0.15 -0.76 0.08 0.00 1.34 0.00 0.00 72.50 73.31 1ver s THR 9 CO 0.62 0.02 0.10 0.00 -0.54 0.00 0.00 174.62 174.82 1ver s ALA 10 N 1.50 0.60 -1.19 3.99 0.00 -1.16 -4.93 121.76 120.58 1ver s ALA 10 Ca -0.10 -0.67 -0.12 0.00 0.00 0.00 0.00 51.96 51.07 1ver s ALA 10 Cb -0.07 -1.20 0.20 0.00 0.00 0.00 0.00 23.12 22.05 1ver s ALA 10 CO -0.16 -1.36 1.37 -2.37 0.00 0.00 0.00 175.76 173.24 1ver n THR 11 N 5.23 4.35 -1.78 0.00 5.66 -1.26 -1.74 114.28 124.73 1ver n THR 11 Ca -0.07 -4.90 -0.30 0.00 -3.05 0.00 0.00 64.05 55.73 1ver n THR 11 Cb 0.46 -2.49 0.21 0.00 -1.55 0.00 0.00 70.33 66.96 1ver n THR 11 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 1ver s LYS 12 N 0.77 0.09 0.33 1.09 -0.14 -0.90 -4.94 119.74 116.04 1ver s LYS 12 Ca 0.40 -0.43 0.03 0.00 -1.36 0.00 0.00 55.97 54.61 1ver s LYS 12 Cb -0.04 -1.78 -0.05 0.00 -1.68 0.00 0.00 37.83 34.27 1ver s LYS 12 CO -0.02 -2.78 0.08 -1.83 -0.76 0.00 0.00 175.35 170.04 1ver s GLU 13 N -5.86 1.68 0.24 1.68 -1.05 -1.26 -3.15 118.70 110.97 1ver s GLU 13 Ca 0.75 -1.95 -0.30 0.00 -0.15 0.00 0.00 54.97 53.32 1ver s GLU 13 Cb -0.04 -0.73 -0.10 0.00 -0.44 0.00 0.00 34.13 32.83 1ver s GLU 13 CO 0.54 -0.27 1.37 0.99 0.95 0.00 0.00 175.26 178.84 1ver s THR 14 N -3.34 2.89 0.00 1.83 2.01 -1.26 -2.02 115.64 115.74 1ver s THR 14 Ca 0.34 0.75 0.00 0.00 0.31 0.00 0.00 61.69 63.09 1ver s THR 14 Cb 0.07 -3.48 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1ver s THR 14 CO 0.15 0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.81 1ver n GLY 15 N 2.11 2.96 3.71 4.40 0.00 -0.04 -4.92 105.19 113.42 1ver n GLY 15 Ca 0.06 -0.10 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 1ver n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ver s GLU 16 N 0.00 -0.45 0.38 1.61 2.02 -0.86 -4.03 118.70 117.36 1ver s GLU 16 Ca 0.00 -0.13 0.06 0.00 0.02 0.00 0.00 54.97 54.92 1ver s GLU 16 Cb 0.00 -1.69 -0.07 0.00 0.10 0.00 0.00 34.13 32.46 1ver s GLU 16 CO 0.00 -3.19 0.03 -1.54 0.02 0.00 0.00 175.26 170.58 1ver s SER 17 N -4.19 3.27 -0.04 -0.19 1.04 -1.26 0.60 113.70 112.92 1ver s SER 17 Ca 0.71 -1.37 0.02 0.00 0.48 0.00 0.00 55.95 55.79 1ver s SER 17 Cb -0.09 -0.27 0.01 0.00 0.10 0.00 0.00 66.02 65.78 1ver s SER 17 CO 0.55 -0.51 -0.08 -0.22 0.98 0.00 0.00 173.24 173.96 1ver s LEU 18 N -3.62 1.57 -0.30 2.42 0.20 -0.56 -4.97 118.68 113.43 1ver s LEU 18 Ca 0.36 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.98 1ver s LEU 18 Cb 0.10 -0.57 0.05 0.00 -0.43 0.00 0.00 46.19 45.34 1ver s LEU 18 CO 0.17 0.01 -0.01 -0.89 -0.29 0.00 0.00 176.35 175.34 1ver s THR 19 N 0.60 2.88 0.07 3.68 2.01 -1.26 0.02 115.64 123.63 1ver s THR 19 Ca -0.10 -1.43 -0.19 0.00 0.31 0.00 0.00 61.69 60.28 1ver s THR 19 Cb -0.13 -2.67 -0.07 0.00 0.01 0.00 0.00 72.50 69.65 1ver s THR 19 CO 0.01 -0.11 0.56 -0.63 -0.69 0.00 0.00 174.62 173.77 1ver s ILE 20 N 1.23 4.75 -0.13 1.82 1.01 -0.32 -4.66 121.20 124.91 1ver s ILE 20 Ca -0.05 1.20 0.01 0.00 0.00 0.00 0.00 60.65 61.80 1ver s ILE 20 Cb -0.20 -3.89 0.02 0.00 0.01 0.00 0.00 42.46 38.40 1ver s ILE 20 CO -0.02 0.55 -0.14 0.20 0.00 0.00 0.00 174.94 175.54 1ver s ASN 21 N -1.09 2.52 0.02 3.58 0.02 0.23 -1.86 114.94 118.36 1ver s ASN 21 Ca 0.29 -0.44 0.04 0.00 -1.02 0.00 0.00 52.86 51.72 1ver s ASN 21 Cb -0.19 -1.10 -0.03 0.00 0.02 0.00 0.00 41.25 39.94 1ver s ASN 21 CO 0.19 -0.04 -0.06 0.00 0.02 0.00 0.00 177.10 177.21 1ver s VAL 23 N -1.05 0.06 -0.37 0.00 0.11 -0.66 -1.64 120.40 116.85 1ver s VAL 23 Ca 0.18 0.10 -0.29 0.00 -2.93 0.00 0.00 61.98 59.04 1ver s VAL 23 Cb -0.11 -0.14 0.02 0.00 -1.53 0.00 0.00 36.38 34.61 1ver s VAL 23 CO 0.09 0.09 1.19 -0.22 -3.33 0.00 0.00 175.10 172.92 1ver s LEU 24 N 0.72 3.80 0.05 2.54 2.96 -0.13 -1.19 118.68 127.42 1ver s LEU 24 Ca -0.06 0.91 0.02 0.00 -0.22 0.00 0.00 54.13 54.78 1ver s LEU 24 Cb -0.09 -3.54 -0.04 0.00 0.50 0.00 0.00 46.19 43.01 1ver s LEU 24 CO -0.02 -1.09 0.07 -0.13 -1.32 0.00 0.00 176.35 173.86 1ver s ARG 25 N 4.14 2.92 -1.71 1.98 1.81 0.49 -4.66 118.95 123.91 1ver s ARG 25 Ca 0.51 -0.63 -0.16 0.00 -1.72 0.00 0.00 55.73 53.73 1ver s ARG 25 Cb -0.12 -2.75 0.15 0.00 -0.45 0.00 0.00 34.95 31.77 1ver s ARG 25 CO 0.24 0.59 0.57 -0.25 -0.68 0.00 0.00 175.30 175.77 1ver n ASP 26 N 0.77 -1.85 -4.22 0.23 9.92 -1.26 -2.93 116.55 117.22 1ver n ASP 26 Ca -0.11 -1.13 -0.32 0.00 -0.53 0.00 0.00 54.79 52.70 1ver n ASP 26 Cb 0.52 -2.23 -0.17 0.00 -0.64 0.00 0.00 41.12 38.60 1ver n ASP 26 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ver s ALA 27 N -3.51 2.23 0.33 2.24 0.00 -1.26 -4.44 121.76 117.35 1ver s ALA 27 Ca 0.58 -1.00 0.24 0.00 0.00 0.00 0.00 51.96 51.78 1ver s ALA 27 Cb -0.33 -0.90 1.20 0.00 0.00 0.00 0.00 23.12 23.09 1ver s ALA 27 CO 0.97 0.18 1.97 0.66 0.00 0.00 0.00 175.76 179.54 1ver h SER 28 N 6.91 0.00 -2.89 0.00 4.64 -1.99 -3.44 113.55 116.78 1ver h SER 28 Ca -0.24 0.00 -0.47 0.00 -0.47 0.00 0.00 61.79 60.61 1ver h SER 28 Cb 1.22 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.33 1ver h SER 28 CO 0.50 0.19 -0.11 -0.72 -0.87 0.00 0.00 176.83 175.82 1ver s TYR 29 N -4.05 3.38 0.00 4.77 1.13 -1.26 -5.12 117.35 116.21 1ver s TYR 29 Ca -0.02 0.36 0.00 0.00 -1.41 0.00 0.00 57.07 56.00 1ver s TYR 29 Cb 0.13 -2.14 0.00 0.00 -1.10 0.00 0.00 41.96 38.85 1ver s TYR 29 CO 0.62 -0.15 0.00 0.41 -2.51 0.00 0.00 175.55 173.92 1ver n GLY 30 N -1.99 -0.35 3.73 5.49 0.00 -1.26 -5.05 105.19 105.76 1ver n GLY 30 Ca -0.01 -1.73 -0.36 0.00 0.00 0.00 0.00 46.02 43.91 1ver n GLY 30 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ver s LEU 31 N 0.00 4.24 0.00 0.99 0.20 -1.26 -4.94 118.68 117.90 1ver s LEU 31 Ca 0.00 0.46 0.00 0.00 0.69 0.00 0.00 54.13 55.28 1ver s LEU 31 Cb 0.00 -2.32 0.00 0.00 -0.43 0.00 0.00 46.19 43.44 1ver s LEU 31 CO 0.00 0.11 0.00 1.21 -0.29 0.00 0.00 176.35 177.38 1ver n GLU 32 N 3.57 0.00 -0.88 1.98 4.07 -1.09 -4.93 120.64 123.37 1ver n GLU 32 Ca -0.13 0.00 -0.33 0.00 -0.06 0.00 0.00 57.16 56.65 1ver n GLU 32 Cb 0.52 0.00 0.13 0.00 -0.06 0.00 0.00 31.44 32.03 1ver n GLU 32 CO 0.00 0.00 0.00 0.45 -0.06 0.00 0.00 177.13 177.52 1ver n SER 33 N 0.00 -0.43 -4.17 4.31 2.88 -0.82 -4.75 113.62 110.64 1ver n SER 33 Ca 0.00 0.45 -0.10 0.00 -1.33 0.00 0.00 58.87 57.89 1ver n SER 33 Cb 0.00 -1.37 -0.10 0.00 -0.75 0.00 0.00 64.21 61.99 1ver n SER 33 CO 0.00 0.00 0.00 0.42 -1.23 0.00 0.00 175.04 174.23 1ver s THR 34 N -2.36 0.37 -0.26 2.46 -4.23 -1.26 -1.62 115.64 108.74 1ver s THR 34 Ca 0.65 -1.92 -0.26 0.00 -1.18 0.00 0.00 61.69 58.99 1ver s THR 34 Cb -0.25 -1.93 0.13 0.00 1.34 0.00 0.00 72.50 71.78 1ver s THR 34 CO 0.59 -0.61 1.04 -0.83 -0.54 0.00 0.00 174.62 174.27 1ver s GLY 35 N -3.06 -0.15 0.11 3.99 0.00 -0.83 -4.95 107.32 102.43 1ver s GLY 35 Ca 0.19 2.59 0.09 0.00 0.00 0.00 0.00 44.72 47.59 1ver s GLY 35 CO -0.00 1.69 -0.23 -0.98 0.00 0.00 0.00 173.10 173.57 1ver s TRP 36 N -0.03 2.00 -0.07 1.90 0.52 -1.26 0.33 118.94 122.32 1ver s TRP 36 Ca 0.02 -0.40 -0.03 0.00 0.02 0.00 0.00 56.10 55.71 1ver s TRP 36 Cb -0.04 -1.09 0.04 0.00 -1.15 0.00 0.00 33.47 31.23 1ver s TRP 36 CO -0.05 0.25 0.12 0.71 0.02 0.00 0.00 176.95 178.00 1ver s TYR 37 N -1.10 -0.07 0.55 -1.98 2.02 -0.24 -0.89 117.35 115.64 1ver s TYR 37 Ca 0.09 0.42 -0.16 0.00 -0.37 0.00 0.00 57.07 57.06 1ver s TYR 37 Cb -0.10 -0.37 -0.06 0.00 -0.40 0.00 0.00 41.96 41.03 1ver s TYR 37 CO 0.05 -0.26 1.02 0.50 -1.57 0.00 0.00 175.55 175.28 1ver s ARG 38 N 2.24 3.68 -0.26 -0.62 3.52 -0.52 -1.65 118.95 125.34 1ver s ARG 38 Ca 0.04 1.04 0.00 0.00 -0.13 0.00 0.00 55.73 56.68 1ver s ARG 38 Cb -0.12 -2.09 0.08 0.00 -1.56 0.00 0.00 34.95 31.25 1ver s ARG 38 CO -0.05 -0.50 0.01 -0.08 -0.81 0.00 0.00 175.30 173.87 1ver s THR 39 N -2.59 1.28 0.06 4.11 -1.32 -0.81 -2.04 115.64 114.33 1ver s THR 39 Ca 0.60 -1.30 -0.30 0.00 -1.21 0.00 0.00 61.69 59.48 1ver s THR 39 Cb -0.12 -1.74 -0.09 0.00 -1.51 0.00 0.00 72.50 69.03 1ver s THR 39 CO 0.35 -0.33 1.84 -0.75 -2.21 0.00 0.00 174.62 173.52 1ver s LYS 40 N 1.47 4.15 -0.62 7.08 2.20 -1.26 -2.67 119.74 130.09 1ver s LYS 40 Ca 0.01 2.53 -0.40 0.00 -0.36 0.00 0.00 55.97 57.75 1ver s LYS 40 Cb -0.18 -3.86 -0.19 0.00 -1.51 0.00 0.00 37.83 32.09 1ver s LYS 40 CO -0.12 -0.87 2.29 -0.11 -0.36 0.00 0.00 175.35 176.18 1ver n LEU 41 N 6.55 0.74 0.00 5.43 0.00 -1.06 -1.58 117.00 127.08 1ver n LEU 41 Ca 0.18 0.52 0.00 0.00 0.00 0.00 0.00 56.01 56.71 1ver n LEU 41 Cb 0.40 -0.94 0.00 0.00 0.00 0.00 0.00 43.42 42.88 1ver n LEU 41 CO 0.66 -0.76 0.00 0.61 0.00 0.00 0.00 177.39 177.89 1ver n GLY 42 N 7.17 4.22 3.65 -3.96 0.00 -1.26 -5.01 105.19 109.99 1ver n GLY 42 Ca 0.57 -0.67 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 1ver n GLY 42 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ver s SER 43 N 0.00 4.14 -0.11 1.61 1.04 -0.61 -5.05 113.70 114.71 1ver s SER 43 Ca 0.00 -1.12 0.18 0.00 0.48 0.00 0.00 55.95 55.49 1ver s SER 43 Cb 0.00 -0.47 -0.25 0.00 0.10 0.00 0.00 66.02 65.40 1ver s SER 43 CO 0.00 -0.37 0.32 1.07 0.98 0.00 0.00 173.24 175.24 1ver n THR 44 N -1.03 1.14 -1.44 2.02 5.66 -1.26 -4.69 114.28 114.68 1ver n THR 44 Ca -0.04 -0.76 -0.47 0.00 -3.05 0.00 0.00 64.05 59.73 1ver n THR 44 Cb 0.64 -0.49 -0.09 0.00 -1.55 0.00 0.00 70.33 68.84 1ver n THR 44 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 1ver n ASN 45 N -2.72 1.53 -4.72 1.09 2.85 -1.26 -4.95 115.26 107.08 1ver n ASN 45 Ca -0.23 0.24 -0.40 0.00 -0.11 0.00 0.00 54.58 54.08 1ver n ASN 45 Cb 1.00 -1.18 -0.04 0.00 1.24 0.00 0.00 39.78 40.79 1ver n ASN 45 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 1ver s GLU 46 N 7.17 4.50 -0.08 1.20 2.12 -1.26 -4.55 118.70 127.80 1ver s GLU 46 Ca 1.15 1.11 0.03 0.00 0.36 0.00 0.00 54.97 57.63 1ver s GLU 46 Cb -0.93 -3.43 0.00 0.00 0.26 0.00 0.00 34.13 30.03 1ver s GLU 46 CO 0.48 0.09 -0.19 1.14 -0.54 0.00 0.00 175.26 176.24 1ver s GLN 47 N 0.62 2.44 0.31 4.30 -2.07 -0.86 -5.02 119.66 119.37 1ver s GLN 47 Ca 0.43 -0.69 -0.28 0.00 -1.82 0.00 0.00 55.36 53.00 1ver s GLN 47 Cb -0.20 -1.91 -0.13 0.00 -1.09 0.00 0.00 33.01 29.68 1ver s GLN 47 CO 0.23 0.14 1.13 2.41 -1.32 0.00 0.00 175.29 177.88 1ver n THR 48 N 3.58 2.00 -3.39 3.63 -1.04 -1.26 -1.44 114.28 116.36 1ver n THR 48 Ca -0.20 -0.50 -0.38 0.00 -2.04 0.00 0.00 64.05 60.93 1ver n THR 48 Cb 0.52 -1.26 -0.06 0.00 -1.82 0.00 0.00 70.33 67.72 1ver n THR 48 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 1ver s ILE 49 N -1.08 5.15 -0.58 12.58 1.01 -0.07 -4.76 121.20 133.45 1ver s ILE 49 Ca 0.57 0.87 -0.17 0.00 0.00 0.00 0.00 60.65 61.93 1ver s ILE 49 Cb -0.64 -3.77 0.13 0.00 0.01 0.00 0.00 42.46 38.19 1ver s ILE 49 CO 0.61 0.40 0.59 -0.44 0.00 0.00 0.00 174.94 176.10 1ver s SER 50 N 0.14 6.22 -0.06 3.58 0.01 -1.26 -4.61 113.70 117.72 1ver s SER 50 Ca 0.24 -1.73 -0.35 0.00 1.31 0.00 0.00 55.95 55.43 1ver s SER 50 Cb -0.15 -2.24 -0.12 0.00 0.21 0.00 0.00 66.02 63.71 1ver s SER 50 CO 0.10 -0.93 1.82 -0.38 0.41 0.00 0.00 173.24 174.26 1ver n ILE 51 N 5.28 0.46 0.00 1.44 2.08 -1.26 -4.88 119.36 122.47 1ver n ILE 51 Ca -0.11 -0.08 0.00 0.00 0.56 0.00 0.00 62.75 63.12 1ver n ILE 51 Cb 0.41 -1.76 0.00 0.00 -0.75 0.00 0.00 39.64 37.54 1ver n ILE 51 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1ver n GLY 52 N 4.20 3.26 7.00 7.39 0.00 -0.99 -5.05 105.19 120.99 1ver n GLY 52 Ca 0.22 -0.84 0.00 0.00 0.00 0.00 0.00 46.02 45.40 1ver n GLY 52 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ver n GLY 53 N -1.02 2.66 0.24 -0.02 0.00 -1.26 -2.74 105.19 103.05 1ver n GLY 53 Ca 0.00 0.10 -0.08 0.00 0.00 0.00 0.00 46.02 46.04 1ver n GLY 53 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1ver h ARG 54 N 0.00 0.69 -5.82 1.61 3.08 -1.94 -3.42 114.38 108.59 1ver h ARG 54 Ca 0.00 -0.33 -0.58 0.00 0.07 0.00 0.00 59.98 59.14 1ver h ARG 54 Cb 0.00 -0.00 -0.08 0.00 0.08 0.00 0.00 29.97 29.97 1ver h ARG 54 CO 0.00 0.94 0.18 0.71 -1.07 0.00 0.00 179.97 180.73 1ver s TYR 55 N -4.38 3.43 -0.11 3.04 2.02 -1.11 -0.62 117.35 119.62 1ver s TYR 55 Ca -0.09 1.08 -0.02 0.00 -0.37 0.00 0.00 57.07 57.68 1ver s TYR 55 Cb 0.12 -2.85 0.04 0.00 -0.40 0.00 0.00 41.96 38.87 1ver s TYR 55 CO 0.84 -0.13 -0.00 0.54 -1.57 0.00 0.00 175.55 175.23 1ver s VAL 56 N 1.71 0.53 -0.09 0.71 0.11 0.06 -2.34 120.40 121.09 1ver s VAL 56 Ca 0.33 -0.15 -0.04 0.00 -2.93 0.00 0.00 61.98 59.19 1ver s VAL 56 Cb -0.16 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.88 1ver s VAL 56 CO 0.12 0.14 0.09 -0.70 -3.33 0.00 0.00 175.10 171.43 1ver s GLU 57 N 1.89 3.26 -0.12 1.54 2.12 -1.26 -1.48 118.70 124.65 1ver s GLU 57 Ca 0.03 -0.26 -0.00 0.00 0.36 0.00 0.00 54.97 55.10 1ver s GLU 57 Cb -0.14 -3.03 0.02 0.00 0.26 0.00 0.00 34.13 31.25 1ver s GLU 57 CO -0.06 0.74 -0.10 0.99 -0.54 0.00 0.00 175.26 176.28 1ver s THR 58 N -1.02 1.19 -0.20 -1.70 2.01 0.09 -5.00 115.64 111.01 1ver s THR 58 Ca 0.16 -0.39 -0.01 0.00 0.31 0.00 0.00 61.69 61.76 1ver s THR 58 Cb -0.12 -1.17 0.01 0.00 0.01 0.00 0.00 72.50 71.23 1ver s THR 58 CO 0.06 0.39 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.56 1ver s VAL 59 N 1.62 2.66 -0.90 3.82 1.01 -1.26 -1.75 120.40 125.60 1ver s VAL 59 Ca 0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 61.98 61.27 1ver s VAL 59 Cb -0.13 -2.17 0.22 0.00 0.00 0.00 0.00 36.38 34.31 1ver s VAL 59 CO -0.09 0.49 0.79 0.20 0.00 0.00 0.00 175.10 176.49 1ver s ASN 60 N 1.37 6.07 0.32 3.32 0.01 0.19 -4.99 114.94 121.24 1ver s ASN 60 Ca 0.05 -3.68 -0.28 0.00 -0.71 0.00 0.00 52.86 48.24 1ver s ASN 60 Cb -0.14 -1.93 -0.10 0.00 0.41 0.00 0.00 41.25 39.50 1ver s ASN 60 CO -0.08 -0.20 1.18 -1.59 -1.51 0.00 0.00 177.10 174.89 1ver s LYS 61 N -1.29 4.42 0.00 -0.60 -2.85 -1.25 -0.58 119.74 117.59 1ver s LYS 61 Ca 0.27 1.94 0.00 0.00 -1.00 0.00 0.00 55.97 57.18 1ver s LYS 61 Cb -0.08 -3.03 0.00 0.00 -2.06 0.00 0.00 37.83 32.66 1ver s LYS 61 CO -0.12 -0.03 0.00 0.41 0.10 0.00 0.00 175.35 175.71 1ver n GLY 62 N 0.93 3.33 1.39 0.59 0.00 -1.26 -4.62 105.19 105.55 1ver n GLY 62 Ca 0.00 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.18 1ver n GLY 62 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ver n SER 63 N 0.38 4.27 -2.01 1.61 3.41 -1.09 -4.97 113.62 115.22 1ver n SER 63 Ca 0.00 -2.26 -0.10 0.00 -0.26 0.00 0.00 58.87 56.25 1ver n SER 63 Cb 0.00 -0.51 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 1ver n SER 63 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1ver n LYS 64 N 1.22 -1.94 -3.95 4.33 5.02 -0.53 -4.78 118.16 117.54 1ver n LYS 64 Ca 0.24 0.53 -0.36 0.00 -2.02 0.00 0.00 58.31 56.70 1ver n LYS 64 Cb 0.75 -4.96 -0.06 0.00 -0.02 0.00 0.00 35.03 30.74 1ver n LYS 64 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1ver s SER 65 N -1.96 6.23 0.14 4.39 0.01 0.26 -0.96 113.70 121.81 1ver s SER 65 Ca 0.00 0.40 -0.07 0.00 1.31 0.00 0.00 55.95 57.58 1ver s SER 65 Cb 0.00 -1.97 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 1ver s SER 65 CO 0.00 0.37 0.22 0.72 0.41 0.00 0.00 173.24 174.96 1ver s PHE 66 N -1.08 0.42 -0.21 2.43 -0.00 -0.65 0.55 117.98 119.44 1ver s PHE 66 Ca 0.17 -0.80 -0.28 0.00 -0.00 0.00 0.00 56.93 56.03 1ver s PHE 66 Cb -0.12 -0.13 0.11 0.00 -0.00 0.00 0.00 43.02 42.88 1ver s PHE 66 CO 0.07 -0.64 0.95 0.45 -0.00 0.00 0.00 175.22 176.05 1ver s SER 67 N -2.95 -0.47 -0.15 1.98 0.15 -0.72 -0.99 113.70 110.54 1ver s SER 67 Ca 0.15 0.74 -0.01 0.00 0.70 0.00 0.00 55.95 57.54 1ver s SER 67 Cb 0.04 0.69 0.04 0.00 -1.71 0.00 0.00 66.02 65.08 1ver s SER 67 CO -0.02 -0.28 -0.05 -0.22 1.20 0.00 0.00 173.24 173.86 1ver s LEU 68 N -0.41 1.50 -0.26 3.45 2.96 -0.78 -0.73 118.68 124.42 1ver s LEU 68 Ca -0.01 -0.58 -0.14 0.00 -0.22 0.00 0.00 54.13 53.18 1ver s LEU 68 Cb -0.03 -0.88 -0.04 0.00 0.50 0.00 0.00 46.19 45.74 1ver s LEU 68 CO -0.01 -0.17 0.34 -0.60 -1.32 0.00 0.00 176.35 174.59 1ver s ARG 69 N 1.66 4.04 -0.35 1.98 3.52 -0.55 -1.17 118.95 128.08 1ver s ARG 69 Ca 0.02 0.00 -0.13 0.00 -0.13 0.00 0.00 55.73 55.49 1ver s ARG 69 Cb -0.15 -3.62 -0.01 0.00 -1.56 0.00 0.00 34.95 29.61 1ver s ARG 69 CO -0.08 -0.19 0.25 0.42 -0.81 0.00 0.00 175.30 174.89 1ver s ILE 70 N 1.81 5.23 0.29 4.11 1.01 0.10 -0.76 121.20 132.99 1ver s ILE 70 Ca 0.14 -0.32 -0.07 0.00 0.00 0.00 0.00 60.65 60.40 1ver s ILE 70 Cb -0.15 -3.73 -0.06 0.00 0.01 0.00 0.00 42.46 38.53 1ver s ILE 70 CO 0.09 -0.07 0.58 -0.13 0.00 0.00 0.00 174.94 175.42 1ver s ARG 71 N 1.71 3.69 -0.68 2.79 0.52 0.21 -1.50 118.95 125.67 1ver s ARG 71 Ca 0.06 0.13 -0.09 0.00 -0.52 0.00 0.00 55.73 55.30 1ver s ARG 71 Cb -0.18 -2.61 0.01 0.00 0.52 0.00 0.00 34.95 32.70 1ver s ARG 71 CO 0.10 0.20 0.64 -3.47 0.02 0.00 0.00 175.30 172.79 1ver n ASP 72 N -0.83 -6.33 -4.73 0.23 2.03 -1.15 -4.82 116.55 100.96 1ver n ASP 72 Ca -0.01 -0.34 -0.42 0.00 0.52 0.00 0.00 54.79 54.55 1ver n ASP 72 Cb 0.54 -3.34 -0.03 0.00 -0.72 0.00 0.00 41.12 37.56 1ver n ASP 72 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1ver s LEU 73 N -3.91 4.39 0.39 -2.67 1.43 0.20 -4.74 118.68 113.77 1ver s LEU 73 Ca 0.10 2.42 0.08 0.00 -1.03 0.00 0.00 54.13 55.70 1ver s LEU 73 Cb -0.02 -3.60 -0.00 0.00 0.03 0.00 0.00 46.19 42.60 1ver s LEU 73 CO 0.83 -0.62 0.49 -0.13 0.23 0.00 0.00 176.35 177.14 1ver s ARG 74 N 0.45 2.83 0.23 1.70 3.00 -1.26 -0.86 118.95 125.03 1ver s ARG 74 Ca 0.61 -1.25 -0.03 0.00 0.00 0.00 0.00 55.73 55.07 1ver s ARG 74 Cb -0.38 -2.67 0.23 0.00 0.00 0.00 0.00 34.95 32.12 1ver s ARG 74 CO 0.35 -0.15 1.63 0.28 0.00 0.00 0.00 175.30 177.41 1ver h VAL 75 N 0.83 1.28 -0.12 3.52 2.07 -1.96 -2.95 116.25 118.91 1ver h VAL 75 Ca -0.42 -1.40 0.04 0.00 0.82 0.00 0.00 66.70 65.74 1ver h VAL 75 Cb 1.27 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1ver h VAL 75 CO 0.50 0.46 0.61 -0.33 0.02 0.00 0.00 177.57 178.82 1ver h GLU 76 N 0.57 0.00 0.00 1.57 4.39 -1.95 -2.03 114.58 117.13 1ver h GLU 76 Ca 0.07 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.77 1ver h GLU 76 Cb 0.78 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.43 1ver h GLU 76 CO 0.06 0.00 -0.41 -0.25 -1.16 0.00 0.00 179.01 177.25 1ver n ASP 77 N -2.89 0.76 -4.65 1.42 8.00 -1.11 -4.88 116.55 113.19 1ver n ASP 77 Ca 0.01 0.28 -0.46 0.00 0.71 0.00 0.00 54.79 55.33 1ver n ASP 77 Cb 0.67 -0.17 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 1ver n ASP 77 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1ver n SER 78 N -2.18 2.57 0.00 -2.24 7.64 -0.76 -4.85 113.62 113.79 1ver n SER 78 Ca 0.04 1.12 0.00 0.00 1.01 0.00 0.00 58.87 61.04 1ver n SER 78 Cb 0.44 -1.38 0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1ver n SER 78 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ver n GLY 79 N 2.53 -1.05 3.17 0.23 0.00 -0.57 -2.55 105.19 106.95 1ver n GLY 79 Ca 0.14 -1.11 -0.34 0.00 0.00 0.00 0.00 46.02 44.72 1ver n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ver s THR 80 N -3.00 2.65 -0.17 2.61 2.01 -1.09 -0.50 115.64 118.15 1ver s THR 80 Ca 0.00 -1.06 -0.08 0.00 0.31 0.00 0.00 61.69 60.86 1ver s THR 80 Cb 0.00 -2.32 -0.04 0.00 0.01 0.00 0.00 72.50 70.14 1ver s THR 80 CO 0.00 0.25 0.12 -0.31 -0.69 0.00 0.00 174.62 173.99 1ver s TYR 81 N 1.30 3.45 0.01 4.92 2.02 -0.58 -1.92 117.35 126.54 1ver s TYR 81 Ca 0.00 0.36 0.05 0.00 -0.37 0.00 0.00 57.07 57.11 1ver s TYR 81 Cb -0.16 -2.06 -0.02 0.00 -0.40 0.00 0.00 41.96 39.32 1ver s TYR 81 CO -0.06 0.44 -0.14 0.15 -1.57 0.00 0.00 175.55 174.36 1ver s LYS 82 N -0.17 1.06 0.33 -0.62 1.02 -0.66 -1.00 119.74 119.71 1ver s LYS 82 Ca 0.10 -0.63 0.07 0.00 0.02 0.00 0.00 55.97 55.53 1ver s LYS 82 Cb -0.12 -1.05 -0.02 0.00 -0.52 0.00 0.00 37.83 36.13 1ver s LYS 82 CO 0.00 0.28 0.41 0.00 -0.92 0.00 0.00 175.35 175.12 1ver s GLY 84 N -4.11 0.08 -0.18 0.00 0.00 0.15 -2.54 107.32 100.72 1ver s GLY 84 Ca 0.44 0.27 -0.04 0.00 0.00 0.00 0.00 44.72 45.39 1ver s GLY 84 CO 0.30 0.60 -0.02 0.00 0.00 0.00 0.00 173.10 173.97 1ver s ALA 85 N 0.92 2.99 0.27 3.20 0.00 -0.90 -1.96 121.76 126.27 1ver s ALA 85 Ca -0.08 -0.92 0.12 0.00 0.00 0.00 0.00 51.96 51.08 1ver s ALA 85 Cb -0.11 -1.65 -0.05 0.00 0.00 0.00 0.00 23.12 21.31 1ver s ALA 85 CO -0.03 0.01 -0.20 -0.06 0.00 0.00 0.00 175.76 175.48 1ver s PHE 86 N 0.73 2.31 -0.16 0.00 0.08 -0.64 -2.05 117.98 118.24 1ver s PHE 86 Ca -0.01 -0.33 -0.19 0.00 0.12 0.00 0.00 56.93 56.52 1ver s PHE 86 Cb -0.14 -1.01 -0.16 0.00 -0.57 0.00 0.00 43.02 41.14 1ver s PHE 86 CO 0.02 0.69 0.26 -0.09 -0.10 0.00 0.00 175.22 176.01 1ver h ARG 87 N 2.35 0.00 -5.59 0.44 2.43 -1.92 -2.12 114.38 109.97 1ver h ARG 87 Ca -0.41 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.77 1ver h ARG 87 Cb 1.25 0.00 -0.06 0.00 -0.42 0.00 0.00 29.97 30.74 1ver h ARG 87 CO 0.59 0.69 -0.84 1.47 -1.51 0.00 0.00 179.97 180.37 1ver n LEU 99 N -4.56 -5.46 -4.65 3.80 -0.00 -1.26 -4.66 117.00 100.21 1ver n LEU 99 Ca -0.18 1.61 -0.36 0.00 -0.00 0.00 0.00 56.01 57.08 1ver n LEU 99 Cb 0.47 -2.44 0.08 0.00 -0.00 0.00 0.00 43.42 41.52 1ver n LEU 99 CO 0.19 -3.38 0.64 -0.24 -0.00 0.00 0.00 177.39 174.59 1ver n SER 100 N 2.04 0.94 -3.80 1.45 2.88 -1.26 -4.97 113.62 110.90 1ver n SER 100 Ca -0.20 0.72 -0.13 0.00 -1.33 0.00 0.00 58.87 57.93 1ver n SER 100 Cb 0.34 -1.45 -0.15 0.00 -0.75 0.00 0.00 64.21 62.20 1ver n SER 100 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1ver s GLU 101 N -3.28 0.03 -0.01 -1.46 -1.05 -0.87 -4.98 118.70 107.07 1ver s GLU 101 Ca 0.76 0.18 0.07 0.00 -0.15 0.00 0.00 54.97 55.83 1ver s GLU 101 Cb -0.36 -0.12 -0.02 0.00 -0.44 0.00 0.00 34.13 33.19 1ver s GLU 101 CO 0.47 -0.10 -0.22 0.15 0.95 0.00 0.00 175.26 176.51 1ver s LYS 102 N 0.66 1.78 0.99 -4.83 1.02 -1.26 -2.12 119.74 115.97 1ver s LYS 102 Ca -0.05 -0.80 -0.11 0.00 0.02 0.00 0.00 55.97 55.03 1ver s LYS 102 Cb -0.07 -1.72 0.18 0.00 -0.52 0.00 0.00 37.83 35.70 1ver s LYS 102 CO -0.02 0.47 1.09 0.20 -0.92 0.00 0.00 175.35 176.17 1ver s GLY 103 N -0.54 1.63 0.00 -3.33 0.00 -1.05 -4.63 107.32 99.39 1ver s GLY 103 Ca 0.08 0.20 0.31 0.00 0.00 0.00 0.00 44.72 45.32 1ver s GLY 103 CO -0.01 0.73 2.10 0.00 0.00 0.00 0.00 173.10 175.92 1ver n ALA 104 N -4.35 2.66 0.00 3.20 0.00 -1.26 -4.70 120.51 116.06 1ver n ALA 104 Ca 0.08 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1ver n ALA 104 Cb 0.53 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.55 1ver n ALA 104 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ver n GLY 105 N 1.07 0.66 3.02 0.00 0.00 -1.25 -4.96 105.19 103.73 1ver n GLY 105 Ca 0.22 -1.83 -0.30 0.00 0.00 0.00 0.00 46.02 44.10 1ver n GLY 105 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ver s THR 106 N -2.41 1.62 -0.90 2.61 2.01 -0.17 -4.47 115.64 113.92 1ver s THR 106 Ca 0.00 -0.72 -0.20 0.00 0.31 0.00 0.00 61.69 61.09 1ver s THR 106 Cb 0.00 -1.54 0.12 0.00 0.01 0.00 0.00 72.50 71.08 1ver s THR 106 CO 0.00 0.42 1.14 -0.69 -0.69 0.00 0.00 174.62 174.79 1ver s VAL 107 N 1.46 4.60 0.12 3.82 1.01 -1.09 -1.53 120.40 128.78 1ver s VAL 107 Ca 0.04 -1.34 -0.25 0.00 0.00 0.00 0.00 61.98 60.43 1ver s VAL 107 Cb -0.13 -4.79 -0.07 0.00 0.00 0.00 0.00 36.38 31.38 1ver s VAL 107 CO -0.10 -1.54 0.77 -0.22 0.00 0.00 0.00 175.10 174.00 1ver s LEU 108 N 3.08 4.54 -0.06 3.92 2.96 0.34 -3.00 118.68 130.46 1ver s LEU 108 Ca 0.33 1.56 -0.01 0.00 -0.22 0.00 0.00 54.13 55.79 1ver s LEU 108 Cb -0.06 -3.26 0.03 0.00 0.50 0.00 0.00 46.19 43.40 1ver s LEU 108 CO -0.07 0.14 -0.01 -0.89 -1.32 0.00 0.00 176.35 174.20 1ver s THR 109 N -0.72 0.40 -0.09 3.68 2.01 -0.71 -1.51 115.64 118.69 1ver s THR 109 Ca 0.37 0.07 0.04 0.00 0.31 0.00 0.00 61.69 62.47 1ver s THR 109 Cb -0.22 -0.52 -0.01 0.00 0.01 0.00 0.00 72.50 71.76 1ver s THR 109 CO 0.25 0.25 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.52 1ver s VAL 110 N 1.69 2.32 0.00 3.82 1.01 -1.26 -2.13 120.40 125.85 1ver s VAL 110 Ca 0.01 -0.94 0.00 0.00 0.00 0.00 0.00 61.98 61.04 1ver s VAL 110 Cb -0.13 -1.89 0.00 0.00 0.00 0.00 0.00 36.38 34.36 1ver s VAL 110 CO -0.04 0.56 0.00 1.17 0.00 0.00 0.00 175.10 176.79