#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fin n VAL 3 N 0.00 0.00 0.07 1.55 0.31 -1.26 -4.73 118.33 114.27 3fin n VAL 3 Ca 0.00 0.00 0.03 0.00 -0.01 0.00 0.00 64.34 64.36 3fin n VAL 3 Cb 0.00 -1.07 -0.04 0.00 -0.91 0.00 0.00 33.84 31.82 3fin n VAL 3 CO 0.00 0.00 0.00 0.07 -1.32 0.00 0.00 176.83 175.58 3fin h LYS 4 N 0.00 0.00 -6.89 5.55 2.10 -2.08 -3.47 116.57 111.78 3fin h LYS 4 Ca -0.08 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.02 3fin h LYS 4 Cb 0.96 0.00 0.12 0.00 -0.90 0.00 0.00 32.23 32.41 3fin h LYS 4 CO 0.11 0.23 0.61 0.00 -2.00 0.00 0.00 179.45 178.40 3fin n MET 5 N -2.88 2.17 -0.27 0.07 0.00 -1.26 -4.98 117.12 109.96 3fin n MET 5 Ca -0.06 0.77 0.00 0.00 0.00 0.00 0.00 57.70 58.41 3fin n MET 5 Cb 0.75 -2.51 0.00 0.00 0.00 0.00 0.00 33.22 31.46 3fin n MET 5 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 175.97 173.58 3fin n HIS 6 N -0.07 -0.00 0.00 3.17 1.44 -1.26 -5.17 115.22 113.33 3fin n HIS 6 Ca 0.05 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.76 3fin n HIS 6 Cb 0.40 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.51 3fin n HIS 6 CO 0.00 0.00 0.00 1.33 -2.81 0.00 0.00 176.34 174.86 3fin n VAL 7 N 0.00 0.00 -1.06 0.61 0.24 -1.26 -4.95 118.33 111.91 3fin n VAL 7 Ca 0.00 0.00 -0.35 0.00 -2.04 0.00 0.00 64.34 61.95 3fin n VAL 7 Cb 0.00 -0.28 0.07 0.00 -1.47 0.00 0.00 33.84 32.16 3fin n VAL 7 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3fin n LYS 8 N 0.00 0.02 0.00 7.34 4.01 -1.26 -5.05 118.16 123.22 3fin n LYS 8 Ca 0.00 0.04 0.00 0.00 -0.51 0.00 0.00 58.31 57.84 3fin n LYS 8 Cb 0.00 -1.56 0.00 0.00 -0.51 0.00 0.00 35.03 32.96 3fin n LYS 8 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 3fin n LYS 9 N -0.03 1.26 -0.91 1.97 2.85 -1.26 -4.92 118.16 117.12 3fin n LYS 9 Ca 0.06 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 57.02 3fin n LYS 9 Cb 0.52 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.87 3fin n LYS 9 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3fin n GLY 10 N 1.73 2.95 0.43 2.58 0.00 -1.26 -4.39 105.19 107.22 3fin n GLY 10 Ca 0.00 -1.02 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 3fin n GLY 10 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3fin n ASP 11 N 5.44 -0.17 -4.67 1.61 5.68 -1.26 -4.83 116.55 118.34 3fin n ASP 11 Ca 0.46 -1.24 -0.43 0.00 -0.50 0.00 0.00 54.79 53.09 3fin n ASP 11 Cb 0.23 0.32 -0.02 0.00 -1.14 0.00 0.00 41.12 40.51 3fin n ASP 11 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3fin s THR 12 N -2.48 4.27 0.42 2.12 2.01 -1.26 -0.92 115.64 119.79 3fin s THR 12 Ca 0.04 1.57 0.04 0.00 0.31 0.00 0.00 61.69 63.64 3fin s THR 12 Cb -0.00 -4.01 -0.05 0.00 0.01 0.00 0.00 72.50 68.45 3fin s THR 12 CO 0.03 -0.07 0.04 -0.69 -0.69 0.00 0.00 174.62 173.23 3fin s VAL 13 N 2.89 1.39 -0.05 3.82 1.01 0.39 -3.98 120.40 125.87 3fin s VAL 13 Ca 0.55 -2.00 0.02 0.00 0.00 0.00 0.00 61.98 60.55 3fin s VAL 13 Cb -0.23 -2.63 0.01 0.00 0.00 0.00 0.00 36.38 33.53 3fin s VAL 13 CO 0.18 0.00 -0.09 -0.22 0.00 0.00 0.00 175.10 174.97 3fin s LEU 14 N -3.69 1.57 0.00 3.92 2.96 0.89 -0.49 118.68 123.84 3fin s LEU 14 Ca 0.26 -0.23 0.00 0.00 -0.22 0.00 0.00 54.13 53.94 3fin s LEU 14 Cb 0.06 -0.67 0.00 0.00 0.50 0.00 0.00 46.19 46.08 3fin s LEU 14 CO 0.13 0.01 0.00 0.52 -1.32 0.00 0.00 176.35 175.69 3fin n VAL 15 N 3.80 0.00 0.00 1.68 0.31 -1.26 -0.26 118.33 122.60 3fin n VAL 15 Ca -0.23 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.10 3fin n VAL 15 Cb 0.52 -0.40 0.00 0.00 -0.91 0.00 0.00 33.84 33.05 3fin n VAL 15 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fin n ALA 16 N -3.00 0.00 -1.00 3.52 0.00 -1.06 -4.30 120.51 114.67 3fin n ALA 16 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3fin n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3fin n ALA 16 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3fin n SER 17 N 0.00 0.00 0.00 0.00 3.41 -1.21 -4.81 113.62 111.02 3fin n SER 17 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3fin n SER 17 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3fin n SER 17 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3fin n GLY 18 N 0.81 -0.32 0.19 5.00 0.00 -1.26 -4.66 105.19 104.94 3fin n GLY 18 Ca 0.00 0.18 0.09 0.00 0.00 0.00 0.00 46.02 46.29 3fin n GLY 18 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3fin h LYS 19 N 0.00 0.00 0.00 1.61 1.57 -2.04 0.26 116.57 117.97 3fin h LYS 19 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3fin h LYS 19 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3fin h LYS 19 CO 0.00 0.00 -0.08 0.66 -0.57 0.00 0.00 179.45 179.46 3fin n TYR 20 N -2.21 0.00 -1.10 -1.35 4.02 -1.26 -5.04 117.16 110.22 3fin n TYR 20 Ca -0.01 -0.48 -0.50 0.00 -0.01 0.00 0.00 57.90 56.90 3fin n TYR 20 Cb 0.28 -0.07 -0.09 0.00 -0.02 0.00 0.00 39.34 39.43 3fin n TYR 20 CO 0.00 0.00 0.00 1.17 -1.01 0.00 0.00 176.86 177.02 3fin n LYS 21 N -0.61 0.00 -2.04 -0.72 3.00 0.91 -3.47 118.16 115.22 3fin n LYS 21 Ca 0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.34 3fin n LYS 21 Cb 0.49 -1.20 -0.02 0.00 0.00 0.00 0.00 35.03 34.30 3fin n LYS 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 3fin n GLY 22 N 5.33 -3.90 2.71 3.14 0.00 -1.26 -4.83 105.19 106.38 3fin n GLY 22 Ca 0.39 0.48 -0.07 0.00 0.00 0.00 0.00 46.02 46.83 3fin n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fin n ARG 23 N 0.65 0.57 -0.94 1.61 1.74 -1.23 -4.93 116.66 114.14 3fin n ARG 23 Ca -0.14 -1.35 -0.36 0.00 -0.77 0.00 0.00 57.85 55.23 3fin n ARG 23 Cb 0.21 -0.83 -0.04 0.00 -1.02 0.00 0.00 32.46 30.78 3fin n ARG 23 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fin n VAL 24 N 1.09 0.35 -3.56 1.55 0.31 -1.26 -4.27 118.33 112.53 3fin n VAL 24 Ca 0.04 -0.09 -0.12 0.00 -0.01 0.00 0.00 64.34 64.16 3fin n VAL 24 Cb 0.69 0.00 -0.04 0.00 -0.91 0.00 0.00 33.84 33.58 3fin n VAL 24 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 3fin s GLY 25 N -0.17 -0.41 1.05 2.92 0.00 0.36 -4.98 107.32 106.09 3fin s GLY 25 Ca 0.54 0.32 -0.15 0.00 0.00 0.00 0.00 44.72 45.42 3fin s GLY 25 CO 0.36 0.03 1.13 1.25 0.00 0.00 0.00 173.10 175.87 3fin s LYS 26 N -3.27 -0.03 0.00 2.90 2.20 -1.26 -0.46 119.74 119.81 3fin s LYS 26 Ca -0.01 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 3fin s LYS 26 Cb 0.00 -1.72 0.00 0.00 -1.51 0.00 0.00 37.83 34.61 3fin s LYS 26 CO -0.08 -2.96 0.00 0.28 -0.36 0.00 0.00 175.35 172.23 3fin n VAL 27 N -4.27 0.00 0.01 4.02 0.31 -0.10 -4.43 118.33 113.89 3fin n VAL 27 Ca 0.09 0.00 0.04 0.00 -0.01 0.00 0.00 64.34 64.47 3fin n VAL 27 Cb 0.59 0.00 -0.07 0.00 -0.91 0.00 0.00 33.84 33.45 3fin n VAL 27 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 3fin n LYS 28 N 0.00 0.44 -2.46 5.55 2.85 -1.26 -3.29 118.16 119.99 3fin n LYS 28 Ca 0.00 -0.07 -0.06 0.00 -1.05 0.00 0.00 58.31 57.12 3fin n LYS 28 Cb 0.00 -1.19 0.03 0.00 -0.65 0.00 0.00 35.03 33.22 3fin n LYS 28 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 3fin n GLU 29 N -1.77 -2.16 0.00 -1.58 4.71 -1.25 -3.77 120.64 114.83 3fin n GLU 29 Ca -0.01 0.31 0.00 0.00 -0.01 0.00 0.00 57.16 57.45 3fin n GLU 29 Cb 0.22 -3.63 0.00 0.00 -1.01 0.00 0.00 31.44 27.02 3fin n GLU 29 CO 0.00 0.00 0.00 0.28 0.09 0.00 0.00 177.13 177.50 3fin n VAL 30 N -2.15 0.00 0.00 2.62 0.31 -1.26 -4.92 118.33 112.94 3fin n VAL 30 Ca -0.09 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 3fin n VAL 30 Cb 0.56 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.49 3fin n VAL 30 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 3fin n LEU 31 N 0.00 0.37 -0.16 7.52 -0.00 0.01 -4.99 117.00 119.76 3fin n LEU 31 Ca 0.00 0.14 0.03 0.00 -0.00 0.00 0.00 56.01 56.18 3fin n LEU 31 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 43.42 43.42 3fin n LEU 31 CO 0.00 0.00 0.19 -0.81 -0.00 0.00 0.00 177.39 176.77 3fin n PRO 32 N -0.20 2.30 -0.05 1.96 -0.04 -1.26 -4.90 135.00 132.80 3fin n PRO 32 Ca 0.00 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.96 3fin n PRO 32 Cb 0.00 -0.98 0.00 0.00 -0.04 0.00 0.00 33.50 32.48 3fin n PRO 32 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3fin n LYS 33 N -0.33 0.46 0.00 0.54 4.81 -1.26 -0.61 118.16 121.77 3fin n LYS 33 Ca 0.03 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.47 3fin n LYS 33 Cb 0.15 -1.27 0.00 0.00 0.02 0.00 0.00 35.03 33.92 3fin n LYS 33 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 3fin n LYS 34 N 1.01 0.00 -2.88 1.64 5.02 -1.26 -5.03 118.16 116.67 3fin n LYS 34 Ca 0.00 0.00 -0.10 0.00 -2.02 0.00 0.00 58.31 56.19 3fin n LYS 34 Cb 0.23 0.00 0.04 0.00 -0.02 0.00 0.00 35.03 35.28 3fin n LYS 34 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 3fin n TYR 35 N 0.00 -1.24 -4.41 2.13 9.36 0.22 -4.88 117.16 118.34 3fin n TYR 35 Ca 0.00 0.47 -0.30 0.00 3.32 0.00 0.00 57.90 61.39 3fin n TYR 35 Cb 0.00 -3.16 -0.12 0.00 -0.63 0.00 0.00 39.34 35.43 3fin n TYR 35 CO 0.00 0.00 0.00 0.00 0.22 0.00 0.00 176.86 177.08 3fin s ALA 36 N -3.16 2.59 0.00 2.98 0.00 -1.26 0.15 121.76 123.06 3fin s ALA 36 Ca 0.16 -1.34 0.00 0.00 0.00 0.00 0.00 51.96 50.78 3fin s ALA 36 Cb -0.07 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.44 3fin s ALA 36 CO 0.35 0.58 0.00 1.33 0.00 0.00 0.00 175.76 178.01 3fin n VAL 37 N 0.99 0.00 0.00 0.00 0.24 0.66 -0.80 118.33 119.41 3fin n VAL 37 Ca -0.16 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.16 3fin n VAL 37 Cb 0.53 -0.99 0.00 0.00 -1.47 0.00 0.00 33.84 31.90 3fin n VAL 37 CO 0.00 0.00 0.00 -0.38 -2.14 0.00 0.00 176.83 174.31 3fin n ILE 38 N -1.51 0.00 0.00 1.34 2.08 1.13 -3.79 119.36 118.60 3fin n ILE 38 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 3fin n ILE 38 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 3fin n ILE 38 CO 0.00 0.00 0.00 0.52 0.56 0.00 0.00 176.55 177.63 3fin n VAL 39 N 0.00 0.00 -1.46 1.39 0.31 -1.21 -3.68 118.33 113.69 3fin n VAL 39 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3fin n VAL 39 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3fin n VAL 39 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3fin n GLU 40 N 0.00 0.00 0.00 5.55 -0.58 -1.26 -4.69 120.64 119.65 3fin n GLU 40 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3fin n GLU 40 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3fin n GLU 40 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3fin n GLY 41 N 0.00 -0.91 3.57 0.62 0.00 -1.24 -4.63 105.19 102.59 3fin n GLY 41 Ca 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 3fin n GLY 41 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3fin n VAL 42 N 0.00 0.11 -2.39 1.61 0.31 -1.26 -4.81 118.33 111.90 3fin n VAL 42 Ca 0.00 -0.63 -0.30 0.00 -0.01 0.00 0.00 64.34 63.41 3fin n VAL 42 Cb 0.00 -2.63 0.01 0.00 -0.91 0.00 0.00 33.84 30.31 3fin n VAL 42 CO 0.00 0.00 0.00 0.59 -1.32 0.00 0.00 176.83 176.10 3fin n ASN 43 N 13.82 5.32 -4.32 4.52 4.13 -1.26 0.16 115.26 137.64 3fin n ASN 43 Ca 0.35 -3.74 -0.38 0.00 1.68 0.00 0.00 54.58 52.48 3fin n ASN 43 Cb 0.48 -0.60 0.03 0.00 -1.54 0.00 0.00 39.78 38.16 3fin n ASN 43 CO 0.00 0.00 0.00 -0.38 0.28 0.00 0.00 177.26 177.16 3fin n ILE 44 N -0.48 0.92 -4.58 2.41 5.41 -1.20 -4.42 119.36 117.43 3fin n ILE 44 Ca 0.42 -0.48 -0.34 0.00 1.00 0.00 0.00 62.75 63.35 3fin n ILE 44 Cb 0.55 -0.32 -0.11 0.00 -0.71 0.00 0.00 39.64 39.05 3fin n ILE 44 CO 0.00 0.00 0.00 -0.69 0.00 0.00 0.00 176.55 175.86 3fin s VAL 45 N -1.91 3.78 0.00 1.39 1.01 -1.26 -3.37 120.40 120.03 3fin s VAL 45 Ca 0.60 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 62.13 3fin s VAL 45 Cb -0.42 -2.56 0.00 0.00 0.00 0.00 0.00 36.38 33.40 3fin s VAL 45 CO 0.63 0.59 0.00 0.29 0.00 0.00 0.00 175.10 176.61 3fin n LYS 46 N 2.34 3.73 -2.25 2.72 5.02 -1.26 -5.00 118.16 123.47 3fin n LYS 46 Ca -0.18 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.92 3fin n LYS 46 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.56 3fin n LYS 46 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3fin n LYS 47 N 0.00 3.16 -0.03 1.97 5.02 -1.26 -4.83 118.16 122.19 3fin n LYS 47 Ca 0.00 -4.06 -0.01 0.00 -2.02 0.00 0.00 58.31 52.22 3fin n LYS 47 Cb 0.00 -2.12 -0.00 0.00 -0.02 0.00 0.00 35.03 32.89 3fin n LYS 47 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3fin n ALA 48 N -0.64 0.01 0.00 7.82 0.00 -1.23 -4.62 120.51 121.85 3fin n ALA 48 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.80 3fin n ALA 48 Cb 0.89 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 20.29 3fin n ALA 48 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3fin n VAL 49 N 0.17 0.00 -4.19 0.00 0.31 -1.26 -2.67 118.33 110.69 3fin n VAL 49 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3fin n VAL 49 Cb -0.00 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 3fin n VAL 49 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3fin n ARG 50 N -1.82 0.00 0.12 5.55 1.74 -1.26 -3.97 116.66 117.01 3fin n ARG 50 Ca 0.00 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.07 3fin n ARG 50 Cb 0.00 0.00 0.02 0.00 -1.02 0.00 0.00 32.46 31.46 3fin n ARG 50 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3fin h VAL 51 N 0.00 1.23 -3.17 1.55 2.07 -2.02 -3.43 116.25 112.48 3fin h VAL 51 Ca 0.00 -2.57 -0.46 0.00 0.82 0.00 0.00 66.70 64.49 3fin h VAL 51 Cb 0.00 2.50 -0.40 0.00 -1.52 0.00 0.00 31.29 31.87 3fin h VAL 51 CO 0.00 0.67 -0.75 -0.94 0.02 0.00 0.00 177.57 176.56 3fin s SER 52 N -6.58 2.18 0.00 0.57 1.04 -1.26 -5.02 113.70 104.63 3fin s SER 52 Ca 0.02 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 55.97 3fin s SER 52 Cb 0.09 -0.33 -0.00 0.00 0.10 0.00 0.00 66.02 65.87 3fin s SER 52 CO 0.77 -0.30 0.83 -2.65 0.98 0.00 0.00 173.24 172.86 3fin n PRO 53 N 5.21 0.41 -1.19 4.02 -0.02 -1.25 -4.86 135.00 137.31 3fin n PRO 53 Ca -0.07 -0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.04 3fin n PRO 53 Cb 0.49 -1.32 0.09 0.00 -0.02 0.00 0.00 33.50 32.74 3fin n PRO 53 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 3fin n LYS 54 N 1.84 0.24 -1.92 -0.52 4.81 -1.26 -4.12 118.16 117.23 3fin n LYS 54 Ca 0.01 0.13 0.00 0.00 -0.87 0.00 0.00 58.31 57.58 3fin n LYS 54 Cb 0.20 -2.00 0.00 0.00 0.02 0.00 0.00 35.03 33.26 3fin n LYS 54 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 3fin n TYR 55 N -2.71 -0.32 0.00 5.64 0.18 -1.26 -4.76 117.16 113.93 3fin n TYR 55 Ca 0.11 0.19 0.00 0.00 1.88 0.00 0.00 57.90 60.08 3fin n TYR 55 Cb 0.50 -1.08 0.00 0.00 -0.38 0.00 0.00 39.34 38.38 3fin n TYR 55 CO 0.00 0.00 0.00 -2.30 -2.08 0.00 0.00 176.86 172.48 3fin n PRO 56 N 1.89 0.00 0.00 -3.48 -0.02 -1.26 -4.81 135.00 127.33 3fin n PRO 56 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3fin n PRO 56 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.48 3fin n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3fin n GLN 57 N 0.11 2.10 0.00 -0.52 6.02 -1.26 -4.81 117.38 119.02 3fin n GLN 57 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3fin n GLN 57 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3fin n GLN 57 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3fin n GLY 58 N 5.00 5.51 3.72 1.08 0.00 -1.09 -4.78 105.19 114.63 3fin n GLY 58 Ca 0.00 -0.87 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 3fin n GLY 58 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3fin s GLY 59 N 0.00 0.38 -0.32 -0.02 0.00 -1.21 -5.00 107.32 101.15 3fin s GLY 59 Ca 0.00 -0.71 0.11 0.00 0.00 0.00 0.00 44.72 44.12 3fin s GLY 59 CO 0.00 -0.41 1.13 0.69 0.00 0.00 0.00 173.10 174.52 3fin n PHE 60 N -0.46 2.41 -0.63 1.90 3.01 -1.26 -3.55 117.46 118.88 3fin n PHE 60 Ca -0.04 -2.44 0.00 0.00 1.01 0.00 0.00 57.45 55.98 3fin n PHE 60 Cb 0.60 -0.27 0.00 0.00 -0.01 0.00 0.00 39.48 39.81 3fin n PHE 60 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 3fin n ILE 61 N -0.58 0.36 0.00 4.37 -0.00 -1.26 -4.98 119.36 117.28 3fin n ILE 61 Ca 0.32 -0.37 0.00 0.00 -0.00 0.00 0.00 62.75 62.70 3fin n ILE 61 Cb 0.85 0.84 0.00 0.00 -0.00 0.00 0.00 39.64 41.33 3fin n ILE 61 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 3fin n GLU 62 N -0.18 0.00 -3.97 0.38 4.71 -1.26 -4.97 120.64 115.34 3fin n GLU 62 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 57.16 57.00 3fin n GLU 62 Cb 0.40 0.00 -0.04 0.00 -1.01 0.00 0.00 31.44 30.79 3fin n GLU 62 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 3fin n LYS 63 N 0.00 0.66 -1.91 3.49 5.02 -1.22 -5.03 118.16 119.17 3fin n LYS 63 Ca 0.00 -2.82 -0.39 0.00 -2.02 0.00 0.00 58.31 53.08 3fin n LYS 63 Cb 0.00 2.66 0.02 0.00 -0.02 0.00 0.00 35.03 37.69 3fin n LYS 63 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3fin s GLU 64 N -2.85 3.60 -0.62 1.97 8.01 -1.26 -3.23 118.70 124.32 3fin s GLU 64 Ca 0.30 2.22 -0.17 0.00 0.01 0.00 0.00 54.97 57.34 3fin s GLU 64 Cb -0.01 -2.53 0.14 0.00 -4.31 0.00 0.00 34.13 27.42 3fin s GLU 64 CO 0.21 -0.82 0.63 0.00 0.01 0.00 0.00 175.26 175.29 3fin s ALA 65 N -1.29 3.64 0.00 5.21 0.00 0.43 -4.86 121.76 124.90 3fin s ALA 65 Ca 0.63 -2.59 0.00 0.00 0.00 0.00 0.00 51.96 50.00 3fin s ALA 65 Cb -0.40 -3.42 0.00 0.00 0.00 0.00 0.00 23.12 19.31 3fin s ALA 65 CO 0.49 -2.20 0.00 -2.30 0.00 0.00 0.00 175.76 171.76 3fin n PRO 66 N 5.40 0.00 -1.15 0.00 -0.02 -1.26 -4.60 135.00 133.37 3fin n PRO 66 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 3fin n PRO 66 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.90 3fin n PRO 66 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3fin n LEU 67 N -0.29 -4.54 -4.63 2.45 7.94 -1.26 0.36 117.00 117.02 3fin n LEU 67 Ca 0.00 1.90 -0.45 0.00 -1.11 0.00 0.00 56.01 56.34 3fin n LEU 67 Cb 0.00 -1.58 -0.03 0.00 0.53 0.00 0.00 43.42 42.35 3fin n LEU 67 CO 0.00 -0.51 0.84 1.57 -1.11 0.00 0.00 177.39 178.18 3fin n HIS 68 N 0.30 1.78 0.04 1.96 -0.00 -1.26 -0.24 115.22 117.80 3fin n HIS 68 Ca 0.00 0.57 0.01 0.00 -0.00 0.00 0.00 57.72 58.30 3fin n HIS 68 Cb 0.00 -2.37 0.35 0.00 -0.00 0.00 0.00 29.99 27.98 3fin n HIS 68 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 3fin h ALA 69 N 3.35 1.48 0.00 1.57 0.00 0.10 -2.89 119.26 122.87 3fin h ALA 69 Ca -0.44 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.30 3fin h ALA 69 Cb 1.31 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3fin h ALA 69 CO 0.70 0.37 0.00 0.45 0.00 0.00 0.00 179.25 180.77 3fin n SER 70 N -4.32 0.59 -0.23 0.00 2.88 -1.26 -2.92 113.62 108.36 3fin n SER 70 Ca 0.01 0.69 0.13 0.00 -1.33 0.00 0.00 58.87 58.36 3fin n SER 70 Cb 0.22 -0.79 0.38 0.00 -0.75 0.00 0.00 64.21 63.26 3fin n SER 70 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 3fin n LYS 71 N -2.19 0.80 -3.62 -1.46 5.02 -1.09 -4.91 118.16 110.70 3fin n LYS 71 Ca 0.01 -0.47 -0.21 0.00 -2.02 0.00 0.00 58.31 55.62 3fin n LYS 71 Cb 0.15 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.64 3fin n LYS 71 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3fin s VAL 72 N -2.52 3.05 -0.08 -0.18 -7.23 -1.15 -2.55 120.40 109.74 3fin s VAL 72 Ca 0.24 -1.32 -0.14 0.00 -1.81 0.00 0.00 61.98 58.94 3fin s VAL 72 Cb 0.19 -3.08 0.03 0.00 0.56 0.00 0.00 36.38 34.08 3fin s VAL 72 CO 0.53 -0.07 0.36 -0.13 -0.31 0.00 0.00 175.10 175.47 3fin s ARG 73 N -4.09 0.56 0.93 4.82 0.52 0.64 -4.95 118.95 117.38 3fin s ARG 73 Ca 0.46 0.20 -0.12 0.00 -0.52 0.00 0.00 55.73 55.75 3fin s ARG 73 Cb -0.05 0.26 0.15 0.00 0.52 0.00 0.00 34.95 35.83 3fin s ARG 73 CO 0.28 -0.12 1.11 -1.25 0.02 0.00 0.00 175.30 175.33 3fin s PRO 74 N -0.52 0.97 -0.12 3.54 0.04 -1.26 -0.08 135.00 137.58 3fin s PRO 74 Ca -0.06 0.52 -0.30 0.00 0.04 0.00 0.00 61.00 61.20 3fin s PRO 74 Cb -0.04 -1.80 0.12 0.00 0.04 0.00 0.00 34.50 32.83 3fin s PRO 74 CO 0.02 -2.36 0.99 -1.50 0.04 0.00 0.00 177.00 174.20 3fin s ILE 75 N -3.07 0.00 0.00 0.56 -1.16 -1.25 -4.12 121.20 112.16 3fin s ILE 75 Ca 0.64 0.00 0.00 0.00 -0.51 0.00 0.00 60.65 60.78 3fin s ILE 75 Cb -0.17 -1.00 0.00 0.00 0.61 0.00 0.00 42.46 41.90 3fin s ILE 75 CO 0.56 0.00 0.00 0.00 -2.81 0.00 0.00 174.94 172.69 3fin n PRO 77 N 0.00 0.00 0.00 0.00 -0.02 -1.26 -4.06 135.00 129.66 3fin n PRO 77 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.48 3fin n PRO 77 Cb 0.00 -1.00 0.00 0.00 -0.02 0.00 0.00 33.50 32.48 3fin n PRO 77 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3fin n ALA 78 N 4.23 0.00 -2.35 3.55 0.00 -1.26 -5.14 120.51 119.54 3fin n ALA 78 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 3fin n ALA 78 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 3fin n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3fin n GLY 80 N -0.47 0.37 1.93 0.00 0.00 -1.26 -4.77 105.19 101.00 3fin n GLY 80 Ca -0.05 0.31 0.00 0.00 0.00 0.00 0.00 46.02 46.28 3fin n GLY 80 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3fin n LYS 81 N 0.00 -4.68 -1.90 1.61 4.81 -1.26 -3.76 118.16 112.98 3fin n LYS 81 Ca 0.00 3.41 -0.39 0.00 -0.87 0.00 0.00 58.31 60.46 3fin n LYS 81 Cb 0.00 -3.78 0.02 0.00 0.02 0.00 0.00 35.03 31.29 3fin n LYS 81 CO 0.00 0.00 0.00 -2.14 1.17 0.00 0.00 177.40 176.43 3fin s PRO 82 N -0.94 3.45 1.01 1.64 0.02 -1.26 -4.67 135.00 134.25 3fin s PRO 82 Ca 0.00 2.18 -0.12 0.00 0.02 0.00 0.00 61.00 63.08 3fin s PRO 82 Cb 0.00 -2.42 0.19 0.00 0.02 0.00 0.00 34.50 32.29 3fin s PRO 82 CO 0.00 -0.92 1.08 0.99 -0.33 0.00 0.00 177.00 177.82 3fin s THR 83 N -1.32 2.20 0.12 0.99 2.01 -1.26 -3.03 115.64 115.36 3fin s THR 83 Ca 0.66 0.07 -0.25 0.00 0.31 0.00 0.00 61.69 62.48 3fin s THR 83 Cb -0.39 -2.45 0.07 0.00 0.01 0.00 0.00 72.50 69.75 3fin s THR 83 CO 0.47 -0.09 0.73 -0.60 -0.69 0.00 0.00 174.62 174.44 3fin s ARG 84 N -4.84 1.20 -0.02 4.92 3.52 -1.07 -4.75 118.95 117.90 3fin s ARG 84 Ca 0.66 -0.50 0.05 0.00 -0.13 0.00 0.00 55.73 55.81 3fin s ARG 84 Cb -0.20 0.52 -0.01 0.00 -1.56 0.00 0.00 34.95 33.70 3fin s ARG 84 CO 0.59 -0.53 -0.17 0.08 -0.81 0.00 0.00 175.30 174.46 3fin s VAL 85 N -3.55 1.36 0.11 7.11 1.01 -1.26 0.09 120.40 125.26 3fin s VAL 85 Ca 0.04 -0.72 0.10 0.00 0.00 0.00 0.00 61.98 61.40 3fin s VAL 85 Cb -0.02 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3fin s VAL 85 CO -0.08 0.39 -0.23 -0.60 0.00 0.00 0.00 175.10 174.57 3fin s ARG 86 N -0.29 1.64 -0.05 2.72 3.52 -0.93 -4.93 118.95 120.62 3fin s ARG 86 Ca 0.04 -1.23 -0.24 0.00 -0.13 0.00 0.00 55.73 54.16 3fin s ARG 86 Cb -0.08 -2.01 -0.19 0.00 -1.56 0.00 0.00 34.95 31.11 3fin s ARG 86 CO -0.00 0.47 1.02 1.57 -0.81 0.00 0.00 175.30 177.56 3fin h LYS 87 N 3.95 -0.10 0.00 5.12 2.10 -1.86 -3.19 116.57 122.60 3fin h LYS 87 Ca -0.50 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.16 3fin h LYS 87 Cb 1.17 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 3fin h LYS 87 CO 0.43 0.43 0.00 1.63 -2.00 0.00 0.00 179.45 179.94 3fin n LYS 88 N -4.85 0.00 -2.40 0.07 4.01 -1.26 -3.60 118.16 110.12 3fin n LYS 88 Ca -0.08 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.72 3fin n LYS 88 Cb 0.29 -0.43 0.00 0.00 -0.51 0.00 0.00 35.03 34.38 3fin n LYS 88 CO 0.00 0.00 0.00 0.34 -1.11 0.00 0.00 177.40 176.63 3fin n PHE 89 N -1.66 0.00 0.00 2.13 7.35 -1.26 -4.77 117.46 119.24 3fin n PHE 89 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 3fin n PHE 89 Cb 0.00 -0.99 0.00 0.00 0.35 0.00 0.00 39.48 38.84 3fin n PHE 89 CO 0.00 0.00 0.00 1.47 -0.76 0.00 0.00 176.76 177.47 3fin n LEU 90 N -0.41 0.00 0.00 -2.13 -0.00 -1.26 -5.14 117.00 108.06 3fin n LEU 90 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 3fin n LEU 90 Cb 0.50 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.92 3fin n LEU 90 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 177.39 176.77 3fin n GLU 91 N 0.00 2.96 -3.60 1.47 -0.58 -1.25 -5.14 120.64 114.50 3fin n GLU 91 Ca 0.00 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.62 3fin n GLU 91 Cb 0.00 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 30.81 3fin n GLU 91 CO 0.00 0.00 0.00 1.21 -0.48 0.00 0.00 177.13 177.86 3fin s ASN 92 N -1.00 -0.48 0.22 1.62 2.47 -1.24 -4.48 114.94 112.05 3fin s ASN 92 Ca 0.00 0.73 -0.18 0.00 0.42 0.00 0.00 52.86 53.82 3fin s ASN 92 Cb 0.00 0.67 0.03 0.00 -1.45 0.00 0.00 41.25 40.49 3fin s ASN 92 CO 0.00 -0.30 0.57 -0.83 -3.72 0.00 0.00 177.10 172.82 3fin s GLY 93 N -0.48 -0.06 -0.04 1.21 0.00 -1.20 -5.07 107.32 101.68 3fin s GLY 93 Ca -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 44.72 44.45 3fin s GLY 93 CO -0.00 -0.23 -0.03 -1.59 0.00 0.00 0.00 173.10 171.25 3fin s LYS 94 N -3.89 2.79 -0.02 2.90 -2.85 -1.26 -2.18 119.74 115.22 3fin s LYS 94 Ca 0.11 -0.56 0.00 0.00 -1.00 0.00 0.00 55.97 54.52 3fin s LYS 94 Cb -0.02 -2.65 0.02 0.00 -2.06 0.00 0.00 37.83 33.12 3fin s LYS 94 CO 0.00 0.65 -0.00 0.15 0.10 0.00 0.00 175.35 176.25 3fin s LYS 95 N -1.18 0.25 1.05 1.78 1.02 0.11 -3.88 119.74 118.89 3fin s LYS 95 Ca 0.16 0.06 -0.18 0.00 0.02 0.00 0.00 55.97 56.03 3fin s LYS 95 Cb -0.11 -0.42 0.03 0.00 -0.52 0.00 0.00 37.83 36.81 3fin s LYS 95 CO 0.06 -0.11 -0.12 0.44 -0.92 0.00 0.00 175.35 174.69 3fin n ILE 96 N 3.98 0.00 -1.72 2.17 -5.35 -1.16 -2.61 119.36 114.67 3fin n ILE 96 Ca -0.25 -0.25 -0.43 0.00 -0.27 0.00 0.00 62.75 61.55 3fin n ILE 96 Cb 0.51 -0.49 -0.03 0.00 -1.74 0.00 0.00 39.64 37.90 3fin n ILE 96 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3fin s ARG 97 N -3.22 3.38 -1.13 6.28 1.70 -1.17 -3.43 118.95 121.37 3fin s ARG 97 Ca 0.53 2.00 -0.26 0.00 -0.47 0.00 0.00 55.73 57.52 3fin s ARG 97 Cb -0.12 -4.28 0.02 0.00 -0.57 0.00 0.00 34.95 29.99 3fin s ARG 97 CO 0.68 -1.82 0.71 0.28 -1.08 0.00 0.00 175.30 174.08 3fin n VAL 98 N 7.23 -3.99 0.00 4.99 0.31 -1.26 -4.77 118.33 120.84 3fin n VAL 98 Ca 0.26 -0.64 0.00 0.00 -0.01 0.00 0.00 64.34 63.95 3fin n VAL 98 Cb 0.45 -3.15 0.00 0.00 -0.91 0.00 0.00 33.84 30.23 3fin n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3fin n ALA 100 N -1.02 0.00 -0.30 0.00 0.00 -1.22 -4.93 120.51 113.03 3fin n ALA 100 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3fin n ALA 100 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 3fin n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3fin n LYS 101 N -1.79 -0.65 0.00 0.00 4.81 -1.26 -4.20 118.16 115.07 3fin n LYS 101 Ca 0.00 0.49 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 3fin n LYS 101 Cb 0.00 -0.77 0.00 0.00 0.02 0.00 0.00 35.03 34.28 3fin n LYS 101 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57