#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2heq n ALA 2 N 0.00 0.52 0.00 -5.12 0.00 -1.26 -5.12 120.51 109.54 2heq n ALA 2 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2heq n ALA 2 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2heq n ALA 2 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2heq n GLY 3 N -0.54 1.83 3.32 0.00 0.00 -1.26 -4.95 105.19 103.59 2heq n GLY 3 Ca 0.00 -0.76 -0.06 0.00 0.00 0.00 0.00 46.02 45.20 2heq n GLY 3 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2heq s ASP 4 N -4.00 -0.49 -0.13 1.61 -4.77 -1.26 -5.02 116.67 102.61 2heq s ASP 4 Ca 0.00 1.06 0.16 0.00 -3.30 0.00 0.00 52.55 50.46 2heq s ASP 4 Cb 0.00 1.61 0.69 0.00 -1.09 0.00 0.00 42.92 44.13 2heq s ASP 4 CO 0.00 -0.24 1.58 -0.81 0.70 0.00 0.00 175.17 176.41 2heq n PRO 5 N 5.41 3.80 -4.27 2.11 -0.04 -1.26 -4.97 135.00 135.78 2heq n PRO 5 Ca -0.08 -2.70 -0.32 0.00 -0.04 0.00 0.00 63.50 60.36 2heq n PRO 5 Cb 0.49 -1.95 -0.09 0.00 -0.04 0.00 0.00 33.50 31.92 2heq n PRO 5 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2heq s LEU 6 N -1.94 3.44 0.25 1.53 1.43 -1.26 -5.08 118.68 117.06 2heq s LEU 6 Ca 0.48 -0.08 -0.31 0.00 -1.03 0.00 0.00 54.13 53.19 2heq s LEU 6 Cb 0.32 -2.04 -0.12 0.00 0.03 0.00 0.00 46.19 44.38 2heq s LEU 6 CO 0.21 0.25 1.56 -2.65 0.23 0.00 0.00 176.35 175.95 2heq n PRO 7 N 1.18 2.47 -1.00 1.29 -0.02 -1.26 -4.88 135.00 132.77 2heq n PRO 7 Ca -0.14 0.88 -0.15 0.00 -2.02 0.00 0.00 63.50 62.07 2heq n PRO 7 Cb 0.52 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.33 2heq n PRO 7 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2heq n LYS 8 N 2.53 1.85 0.00 -0.52 5.02 -1.26 -4.82 118.16 120.96 2heq n LYS 8 Ca 0.11 -1.36 0.00 0.00 -2.02 0.00 0.00 58.31 55.04 2heq n LYS 8 Cb 0.34 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.63 2heq n LYS 8 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2heq n TYR 9 N 1.16 0.00 0.00 2.13 4.02 -1.26 -5.06 117.16 118.15 2heq n TYR 9 Ca 0.32 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.21 2heq n TYR 9 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.95 2heq n TYR 9 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 176.86 176.76 2heq n TRP 10 N 0.00 0.00 0.00 -0.72 5.03 -1.26 -4.97 117.44 115.52 2heq n TRP 10 Ca 0.00 0.00 0.00 0.00 3.03 0.00 0.00 57.50 60.53 2heq n TRP 10 Cb 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 31.31 30.28 2heq n TRP 10 CO 0.00 0.00 0.00 0.43 -0.03 0.00 0.00 177.69 178.09 2heq n SER 11 N -0.26 0.00 -4.29 -0.99 7.64 -1.26 -5.10 113.62 109.37 2heq n SER 11 Ca 0.00 0.00 -0.32 0.00 1.01 0.00 0.00 58.87 59.56 2heq n SER 11 Cb 0.00 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 2heq n SER 11 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2heq s TYR 12 N -0.96 2.59 0.71 1.43 2.02 -1.26 -5.08 117.35 116.79 2heq s TYR 12 Ca 0.00 -0.80 -0.10 0.00 -0.37 0.00 0.00 57.07 55.80 2heq s TYR 12 Cb 0.00 -1.70 0.03 0.00 -0.40 0.00 0.00 41.96 39.89 2heq s TYR 12 CO 0.00 -0.27 1.07 -1.25 -1.57 0.00 0.00 175.55 173.53 2heq s PRO 13 N 0.11 2.66 0.25 -1.71 0.05 -1.26 -5.01 135.00 130.09 2heq s PRO 13 Ca -0.10 0.27 -0.30 0.00 0.05 0.00 0.00 61.00 60.92 2heq s PRO 13 Cb -0.16 -2.06 -0.09 0.00 0.05 0.00 0.00 34.50 32.24 2heq s PRO 13 CO 0.06 -1.09 1.15 0.08 0.05 0.00 0.00 177.00 177.25 2heq s VAL 14 N -3.33 3.46 0.00 -0.36 1.01 -1.26 -3.15 120.40 116.77 2heq s VAL 14 Ca 0.58 1.37 0.00 0.00 0.00 0.00 0.00 61.98 63.93 2heq s VAL 14 Cb -0.11 -3.87 0.00 0.00 0.00 0.00 0.00 36.38 32.40 2heq s VAL 14 CO 0.50 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.49 2heq n GLY 15 N 1.52 0.24 3.66 4.51 0.00 0.73 -5.01 105.19 110.83 2heq n GLY 15 Ca 0.01 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.60 2heq n GLY 15 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2heq s LEU 16 N 0.00 4.12 -0.16 0.99 2.96 -1.19 -4.84 118.68 120.56 2heq s LEU 16 Ca 0.00 1.48 -0.27 0.00 -0.22 0.00 0.00 54.13 55.12 2heq s LEU 16 Cb 0.00 -3.54 -0.01 0.00 0.50 0.00 0.00 46.19 43.14 2heq s LEU 16 CO 0.00 -0.72 0.92 0.00 -1.32 0.00 0.00 176.35 175.23 2heq s ALA 17 N 3.35 3.51 0.03 5.97 0.00 -1.26 -1.52 121.76 131.84 2heq s ALA 17 Ca 0.48 0.17 0.04 0.00 0.00 0.00 0.00 51.96 52.66 2heq s ALA 17 Cb -0.17 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.58 2heq s ALA 17 CO 0.10 -0.70 -0.13 0.14 0.00 0.00 0.00 175.76 175.17 2heq s VAL 18 N 2.27 1.03 -0.14 0.00 -7.23 0.36 -1.37 120.40 115.33 2heq s VAL 18 Ca 0.42 -0.94 -0.16 0.00 -1.81 0.00 0.00 61.98 59.49 2heq s VAL 18 Cb -0.17 -0.94 -0.04 0.00 0.56 0.00 0.00 36.38 35.79 2heq s VAL 18 CO 0.13 -0.00 0.37 -1.61 -0.31 0.00 0.00 175.10 173.68 2heq s GLU 19 N -1.08 4.27 -0.03 4.82 2.02 0.75 0.04 118.70 129.50 2heq s GLU 19 Ca 0.01 0.25 -0.30 0.00 0.02 0.00 0.00 54.97 54.95 2heq s GLU 19 Cb -0.08 -3.42 -0.06 0.00 0.10 0.00 0.00 34.13 30.67 2heq s GLU 19 CO 0.01 0.22 1.72 0.42 0.02 0.00 0.00 175.26 177.65 2heq s ILE 20 N 0.47 3.44 0.51 -1.63 1.09 0.40 -0.46 121.20 125.02 2heq s ILE 20 Ca 0.21 0.55 -0.19 0.00 -1.10 0.00 0.00 60.65 60.12 2heq s ILE 20 Cb -0.14 -3.36 -0.07 0.00 -1.06 0.00 0.00 42.46 37.83 2heq s ILE 20 CO 0.07 -0.05 1.04 0.21 -0.10 0.00 0.00 174.94 176.11 2heq s ASN 21 N 3.52 6.23 -1.25 3.58 3.84 0.58 -0.92 114.94 130.52 2heq s ASN 21 Ca 0.77 1.89 -0.08 0.00 0.21 0.00 0.00 52.86 55.64 2heq s ASN 21 Cb -0.36 -2.55 -0.09 0.00 -0.55 0.00 0.00 41.25 37.71 2heq s ASN 21 CO 0.32 -0.86 2.69 -3.20 -2.79 0.00 0.00 177.10 173.26 2heq n ASN 22 N -1.24 7.11 0.00 -4.21 2.85 -1.26 -3.13 115.26 115.38 2heq n ASN 22 Ca 0.09 -2.46 0.00 0.00 -0.11 0.00 0.00 54.58 52.10 2heq n ASN 22 Cb 0.53 -1.37 0.00 0.00 1.24 0.00 0.00 39.78 40.18 2heq n ASN 22 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 2heq n ASN 23 N 3.71 4.37 0.00 1.20 3.02 -1.26 -4.67 115.26 121.63 2heq n ASN 23 Ca 0.64 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 55.29 2heq n ASN 23 Cb 0.24 0.65 0.57 0.00 -0.61 0.00 0.00 39.78 40.62 2heq n ASN 23 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2heq n ALA 24 N -1.57 2.18 0.18 5.41 0.00 -1.18 -2.84 120.51 122.68 2heq n ALA 24 Ca 0.00 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.46 2heq n ALA 24 Cb 0.23 -1.33 0.72 0.00 0.00 0.00 0.00 19.45 19.06 2heq n ALA 24 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 2heq h ARG 25 N 0.00 0.00 -3.53 0.00 2.43 -1.83 0.18 114.38 111.63 2heq h ARG 25 Ca 0.00 0.00 -0.75 0.00 -0.81 0.00 0.00 59.98 58.42 2heq h ARG 25 Cb 0.07 0.00 -0.31 0.00 -0.42 0.00 0.00 29.97 29.31 2heq h ARG 25 CO 0.00 0.00 0.08 1.52 -1.51 0.00 0.00 179.97 180.06 2heq s TYR 26 N -4.93 3.92 0.00 2.20 1.13 -1.13 -4.19 117.35 114.35 2heq s TYR 26 Ca -0.05 -2.67 0.00 0.00 -1.41 0.00 0.00 57.07 52.94 2heq s TYR 26 Cb 0.17 -3.54 0.00 0.00 -1.10 0.00 0.00 41.96 37.49 2heq s TYR 26 CO 0.65 -0.87 0.00 0.41 -2.51 0.00 0.00 175.55 173.23 2heq n GLY 27 N 2.94 0.87 2.51 5.49 0.00 -1.12 -5.02 105.19 110.86 2heq n GLY 27 Ca 0.19 0.04 -0.23 0.00 0.00 0.00 0.00 46.02 46.02 2heq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2heq n PRO 29 N 3.35 0.92 -0.18 0.00 -0.02 -1.22 -3.13 135.00 134.72 2heq n PRO 29 Ca 0.21 0.00 0.07 0.00 -2.02 0.00 0.00 63.50 61.77 2heq n PRO 29 Cb 0.46 -1.04 0.10 0.00 -0.02 0.00 0.00 33.50 33.00 2heq n PRO 29 CO 0.00 0.00 0.00 1.58 1.98 0.00 0.00 175.50 179.06 2heq n HIS 30 N 1.09 0.00 -3.36 6.00 -0.00 -1.26 -4.87 115.22 112.82 2heq n HIS 30 Ca 0.00 -0.72 -0.16 0.00 0.46 0.00 0.00 57.72 57.30 2heq n HIS 30 Cb 0.46 -0.12 -0.07 0.00 -0.12 0.00 0.00 29.99 30.14 2heq n HIS 30 CO 0.00 0.00 0.00 -1.01 0.46 0.00 0.00 176.34 175.79 2heq s HIS 31 N -2.05 -0.33 -0.18 1.57 3.76 -1.18 -5.09 115.29 111.80 2heq s HIS 31 Ca 0.23 -0.81 -0.02 0.00 -0.15 0.00 0.00 55.06 54.30 2heq s HIS 31 Cb 0.20 -0.39 0.05 0.00 1.11 0.00 0.00 32.58 33.55 2heq s HIS 31 CO 0.02 -0.98 0.02 0.08 -0.85 0.00 0.00 174.74 173.04 2heq s VAL 32 N 1.42 0.57 -0.08 -0.90 1.01 -1.26 -4.70 120.40 116.46 2heq s VAL 32 Ca 0.17 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.67 2heq s VAL 32 Cb -0.15 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.23 2heq s VAL 32 CO -0.03 -0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.56 2heq n GLY 33 N 5.04 0.47 3.88 4.51 0.00 -0.10 -5.01 105.19 113.98 2heq n GLY 33 Ca -0.09 -0.23 -0.30 0.00 0.00 0.00 0.00 46.02 45.40 2heq n GLY 33 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2heq s ARG 34 N -0.76 3.74 -0.33 1.61 0.52 -1.26 -4.78 118.95 117.70 2heq s ARG 34 Ca 0.00 0.38 -0.13 0.00 -0.52 0.00 0.00 55.73 55.47 2heq s ARG 34 Cb 0.00 -2.43 -0.02 0.00 0.52 0.00 0.00 34.95 33.02 2heq s ARG 34 CO 0.00 -0.01 0.24 0.15 0.02 0.00 0.00 175.30 175.70 2heq s LYS 35 N -3.85 3.60 0.09 3.54 3.01 -1.26 -0.45 119.74 124.41 2heq s LYS 35 Ca 0.50 -0.56 0.00 0.00 -1.01 0.00 0.00 55.97 54.91 2heq s LYS 35 Cb -0.10 -3.78 -0.00 0.00 -1.01 0.00 0.00 37.83 32.94 2heq s LYS 35 CO 0.32 -0.39 0.01 0.41 0.51 0.00 0.00 175.35 176.20 2heq n GLY 36 N 5.08 4.05 2.93 -3.33 0.00 0.11 -1.52 105.19 112.52 2heq n GLY 36 Ca -0.13 -2.18 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 2heq n GLY 36 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2heq s LYS 37 N -2.33 0.10 -0.13 1.61 2.20 -0.18 -0.48 119.74 120.52 2heq s LYS 37 Ca 0.01 0.29 -0.29 0.00 -0.36 0.00 0.00 55.97 55.62 2heq s LYS 37 Cb 0.00 -0.11 -0.02 0.00 -1.51 0.00 0.00 37.83 36.19 2heq s LYS 37 CO 0.01 -0.12 1.33 0.42 -0.36 0.00 0.00 175.35 176.63 2heq s ILE 38 N 0.83 4.14 -0.23 5.43 1.01 -0.58 -0.84 121.20 130.96 2heq s ILE 38 Ca -0.06 1.39 0.03 0.00 0.00 0.00 0.00 60.65 62.01 2heq s ILE 38 Cb -0.08 -3.89 -0.02 0.00 0.01 0.00 0.00 42.46 38.47 2heq s ILE 38 CO -0.04 -0.11 0.26 2.30 0.00 0.00 0.00 174.94 177.35 2heq n ILE 39 N 5.31 0.00 -3.61 2.92 -5.35 -0.10 -0.19 119.36 118.33 2heq n ILE 39 Ca 0.14 -0.44 -0.16 0.00 -0.27 0.00 0.00 62.75 62.02 2heq n ILE 39 Cb 0.45 1.02 -0.07 0.00 -1.74 0.00 0.00 39.64 39.29 2heq n ILE 39 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 2heq s GLU 40 N -1.07 0.89 -0.39 6.28 2.56 -1.23 -4.95 118.70 120.80 2heq s GLU 40 Ca 0.02 0.16 -0.15 0.00 0.00 0.00 0.00 54.97 55.00 2heq s GLU 40 Cb 0.03 0.42 0.01 0.00 2.00 0.00 0.00 34.13 36.58 2heq s GLU 40 CO 0.11 -0.26 0.32 -1.01 -0.56 0.00 0.00 175.26 173.87 2heq s HIS 41 N -1.09 3.22 -0.31 5.30 3.76 -1.26 -1.77 115.29 123.14 2heq s HIS 41 Ca -0.11 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.16 2heq s HIS 41 Cb -0.02 -2.63 0.00 0.00 1.11 0.00 0.00 32.58 31.04 2heq s HIS 41 CO 0.07 -0.54 0.80 -0.51 -0.85 0.00 0.00 174.74 173.71 2heq s LEU 42 N 1.81 4.08 -1.25 0.89 1.43 -0.08 -4.96 118.68 120.60 2heq s LEU 42 Ca 0.07 0.68 -0.15 0.00 -1.03 0.00 0.00 54.13 53.71 2heq s LEU 42 Cb -0.18 -3.10 0.13 0.00 0.03 0.00 0.00 46.19 43.08 2heq s LEU 42 CO 0.11 -0.62 1.59 0.00 0.23 0.00 0.00 176.35 177.66 2heq n HIS 43 N 6.22 4.70 -4.28 0.29 1.44 -1.26 -4.44 115.22 117.88 2heq n HIS 43 Ca 0.04 -3.14 -0.14 0.00 -2.01 0.00 0.00 57.72 52.47 2heq n HIS 43 Cb 0.48 -2.33 -0.04 0.00 0.12 0.00 0.00 29.99 28.22 2heq n HIS 43 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2heq n SER 44 N 6.44 1.33 -0.04 4.39 2.88 -1.25 -5.05 113.62 122.31 2heq n SER 44 Ca 0.42 -2.14 0.01 0.00 -1.33 0.00 0.00 58.87 55.82 2heq n SER 44 Cb 0.43 0.49 0.00 0.00 -0.75 0.00 0.00 64.21 64.39 2heq n SER 44 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2heq n ALA 45 N -2.01 2.49 -0.01 -1.46 0.00 -1.26 -4.72 120.51 113.55 2heq n ALA 45 Ca -0.09 -0.50 -0.02 0.00 0.00 0.00 0.00 53.44 52.83 2heq n ALA 45 Cb 0.32 -0.04 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 2heq n ALA 45 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2heq n THR 46 N 0.05 0.12 -4.34 0.00 -1.04 -1.26 -5.06 114.28 102.74 2heq n THR 46 Ca 0.01 -0.03 -0.29 0.00 -2.04 0.00 0.00 64.05 61.69 2heq n THR 46 Cb 0.03 -1.22 -0.12 0.00 -1.82 0.00 0.00 70.33 67.20 2heq n THR 46 CO 0.00 0.00 0.00 -0.31 -0.64 0.00 0.00 175.07 174.12 2heq s TYR 47 N -2.04 2.45 -0.08 -1.42 2.02 -1.26 -4.62 117.35 112.40 2heq s TYR 47 Ca -0.03 -0.31 0.06 0.00 -0.37 0.00 0.00 57.07 56.43 2heq s TYR 47 Cb 0.01 -1.30 -0.09 0.00 -0.40 0.00 0.00 41.96 40.18 2heq s TYR 47 CO 0.04 0.38 0.02 -0.25 -1.57 0.00 0.00 175.55 174.17 2heq n ASP 48 N 0.77 3.12 -4.00 2.29 9.92 0.09 -3.75 116.55 125.00 2heq n ASP 48 Ca -0.16 -0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 53.97 2heq n ASP 48 Cb 0.53 0.63 -0.12 0.00 -0.64 0.00 0.00 41.12 41.52 2heq n ASP 48 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 2heq s TYR 49 N -2.19 0.45 -0.36 1.24 2.02 -0.27 -0.90 117.35 117.34 2heq s TYR 49 Ca -0.04 -0.36 -0.14 0.00 -0.37 0.00 0.00 57.07 56.16 2heq s TYR 49 Cb 0.02 -0.28 -0.01 0.00 -0.40 0.00 0.00 41.96 41.29 2heq s TYR 49 CO 0.31 -0.08 0.27 0.00 -1.57 0.00 0.00 175.55 174.47 2heq s ALA 50 N -0.95 3.50 -0.16 3.71 0.00 -0.73 -0.30 121.76 126.82 2heq s ALA 50 Ca -0.07 -1.45 -0.02 0.00 0.00 0.00 0.00 51.96 50.42 2heq s ALA 50 Cb -0.07 -2.74 -0.01 0.00 0.00 0.00 0.00 23.12 20.30 2heq s ALA 50 CO -0.00 -1.10 -0.08 0.08 0.00 0.00 0.00 175.76 174.65 2heq s VAL 51 N 1.74 3.31 -0.35 0.00 1.01 0.52 -0.92 120.40 125.72 2heq s VAL 51 Ca 0.06 -0.55 -0.14 0.00 0.00 0.00 0.00 61.98 61.36 2heq s VAL 51 Cb -0.18 -2.44 -0.01 0.00 0.00 0.00 0.00 36.38 33.75 2heq s VAL 51 CO 0.11 0.49 0.29 -0.94 0.00 0.00 0.00 175.10 175.04 2heq s SER 52 N 0.73 6.11 0.96 3.32 1.04 -0.02 -0.30 113.70 125.54 2heq s SER 52 Ca -0.04 -0.38 -0.12 0.00 0.48 0.00 0.00 55.95 55.89 2heq s SER 52 Cb -0.15 -2.16 0.17 0.00 0.10 0.00 0.00 66.02 63.98 2heq s SER 52 CO 0.02 -0.29 1.10 -1.81 0.98 0.00 0.00 173.24 173.24 2heq s ASP 53 N 1.73 2.94 0.54 7.02 1.11 -0.52 -1.01 116.67 128.48 2heq s ASP 53 Ca 0.08 1.22 0.25 0.00 0.18 0.00 0.00 52.55 54.28 2heq s ASP 53 Cb -0.17 -1.88 1.51 0.00 1.07 0.00 0.00 42.92 43.45 2heq s ASP 53 CO 0.11 -2.94 2.14 1.05 1.18 0.00 0.00 175.17 176.72 2heq h GLU 54 N -1.76 0.00 0.00 8.23 -0.00 -1.61 0.55 114.58 120.00 2heq h GLU 54 Ca -0.53 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.83 2heq h GLU 54 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 30.07 2heq h GLU 54 CO 0.58 0.07 0.00 0.25 -0.00 0.00 0.00 179.01 179.90 2heq n THR 55 N -3.93 0.44 -0.80 -1.06 -2.24 -1.26 -4.86 114.28 100.56 2heq n THR 55 Ca -0.03 0.11 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2heq n THR 55 Cb 0.16 -0.78 0.00 0.00 -2.10 0.00 0.00 70.33 67.61 2heq n THR 55 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2heq n GLY 56 N 0.40 0.55 3.61 3.38 0.00 0.19 -5.03 105.19 108.29 2heq n GLY 56 Ca 0.09 -0.47 -0.37 0.00 0.00 0.00 0.00 46.02 45.27 2heq n GLY 56 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2heq s ASP 57 N -2.43 5.93 -0.24 1.61 2.15 -1.25 -4.86 116.67 117.59 2heq s ASP 57 Ca 0.00 0.04 -0.20 0.00 0.43 0.00 0.00 52.55 52.82 2heq s ASP 57 Cb 0.00 -2.08 -0.02 0.00 -0.30 0.00 0.00 42.92 40.52 2heq s ASP 57 CO 0.00 0.03 0.59 -0.63 -0.17 0.00 0.00 175.17 174.99 2heq s ILE 58 N 1.25 5.03 0.05 4.11 1.01 -1.26 -1.43 121.20 129.95 2heq s ILE 58 Ca 0.07 1.07 0.05 0.00 0.00 0.00 0.00 60.65 61.84 2heq s ILE 58 Cb -0.14 -3.90 -0.02 0.00 0.01 0.00 0.00 42.46 38.40 2heq s ILE 58 CO 0.06 0.08 -0.14 -0.89 0.00 0.00 0.00 174.94 174.04 2heq s THR 59 N 2.21 1.13 -0.13 2.92 2.01 0.59 -4.97 115.64 119.41 2heq s THR 59 Ca 0.25 -1.13 -0.20 0.00 0.31 0.00 0.00 61.69 60.92 2heq s THR 59 Cb -0.16 -1.05 -0.04 0.00 0.01 0.00 0.00 72.50 71.27 2heq s THR 59 CO 0.09 -0.09 0.56 -0.31 -0.69 0.00 0.00 174.62 174.19 2heq s TYR 60 N -1.02 3.49 0.31 4.92 2.02 -1.26 -0.35 117.35 125.45 2heq s TYR 60 Ca 0.00 0.97 0.03 0.00 -0.37 0.00 0.00 57.07 57.70 2heq s TYR 60 Cb -0.09 -2.67 -0.06 0.00 -0.40 0.00 0.00 41.96 38.75 2heq s TYR 60 CO 0.02 0.06 0.08 -0.06 -1.57 0.00 0.00 175.55 174.08 2heq s PHE 61 N 1.00 1.81 0.34 2.71 0.08 0.59 -4.96 117.98 119.55 2heq s PHE 61 Ca 0.29 -1.06 0.08 0.00 0.12 0.00 0.00 56.93 56.36 2heq s PHE 61 Cb -0.16 -1.15 -0.04 0.00 -0.57 0.00 0.00 43.02 41.10 2heq s PHE 61 CO 0.12 -0.13 0.13 0.21 -0.10 0.00 0.00 175.22 175.45 2heq s LYS 62 N -3.92 2.37 0.50 0.44 2.20 -1.26 -0.73 119.74 119.33 2heq s LYS 62 Ca 0.36 -1.54 0.14 0.00 -0.36 0.00 0.00 55.97 54.57 2heq s LYS 62 Cb 0.08 -2.17 1.18 0.00 -1.51 0.00 0.00 37.83 35.41 2heq s LYS 62 CO 0.15 0.12 2.12 1.49 -0.36 0.00 0.00 175.35 178.87 2heq h GLU 63 N 1.57 0.12 0.00 4.03 4.81 -1.94 -1.31 114.58 121.86 2heq h GLU 63 Ca -0.44 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 58.75 2heq h GLU 63 Cb 1.25 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2heq h GLU 63 CO 0.63 0.08 -0.19 1.25 -0.73 0.00 0.00 179.01 180.05 2heq h HIS 64 N 0.13 0.00 -0.74 0.92 2.76 -2.00 -3.12 115.15 113.09 2heq h HIS 64 Ca 0.05 0.00 -0.26 0.00 -2.20 0.00 0.00 60.37 57.96 2heq h HIS 64 Cb 0.03 0.00 -0.15 0.00 1.55 0.00 0.00 27.41 28.84 2heq h HIS 64 CO -0.00 0.19 0.33 0.39 -1.30 0.00 0.00 177.93 177.54 2heq n GLU 65 N -3.29 3.30 -4.14 5.26 4.71 -0.49 -4.89 120.64 121.10 2heq n GLU 65 Ca 0.01 -2.85 -0.12 0.00 -0.01 0.00 0.00 57.16 54.19 2heq n GLU 65 Cb 0.45 -2.15 -0.11 0.00 -1.01 0.00 0.00 31.44 28.62 2heq n GLU 65 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2heq s LEU 66 N -2.82 2.42 -0.24 -4.62 1.43 -1.18 -0.31 118.68 113.36 2heq s LEU 66 Ca 0.52 -0.84 -0.03 0.00 -1.03 0.00 0.00 54.13 52.74 2heq s LEU 66 Cb 0.42 -0.14 0.10 0.00 0.03 0.00 0.00 46.19 46.60 2heq s LEU 66 CO 0.12 -0.35 0.18 -0.89 0.23 0.00 0.00 176.35 175.64 2heq s THR 67 N -2.76 -0.21 0.57 5.49 2.01 0.39 -4.68 115.64 116.45 2heq s THR 67 Ca 0.04 -0.39 -0.19 0.00 0.31 0.00 0.00 61.69 61.46 2heq s THR 67 Cb -0.01 -0.81 -0.05 0.00 0.01 0.00 0.00 72.50 71.65 2heq s THR 67 CO -0.02 -0.43 1.18 -2.84 -0.69 0.00 0.00 174.62 171.82 2heq s PRO 68 N 2.23 3.15 -1.26 4.92 0.02 -1.26 -0.18 135.00 142.61 2heq s PRO 68 Ca 0.07 1.76 -0.15 0.00 0.02 0.00 0.00 61.00 62.70 2heq s PRO 68 Cb -0.15 -1.98 0.13 0.00 0.02 0.00 0.00 34.50 32.51 2heq s PRO 68 CO -0.23 -1.05 1.62 1.28 -0.33 0.00 0.00 177.00 178.29 2heq n LEU 69 N -1.42 5.29 -4.31 -5.54 4.77 -0.47 -4.83 117.00 110.48 2heq n LEU 69 Ca 0.13 -4.26 -0.41 0.00 -0.03 0.00 0.00 56.01 51.44 2heq n LEU 69 Cb 0.50 -1.66 -0.10 0.00 -2.33 0.00 0.00 43.42 39.83 2heq n LEU 69 CO 0.44 0.58 -0.11 -0.75 -1.33 0.00 0.00 177.39 176.21 2heq s LYS 70 N 2.54 2.70 0.00 3.23 2.20 -1.26 -4.77 119.74 124.38 2heq s LYS 70 Ca 0.47 -1.33 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 2heq s LYS 70 Cb 0.01 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.54 2heq s LYS 70 CO 0.03 -0.88 0.00 0.41 -0.36 0.00 0.00 175.35 174.55 2heq n GLY 71 N 4.96 0.00 2.72 5.54 0.00 -1.26 -5.16 105.19 111.99 2heq n GLY 71 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2heq n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2heq n GLY 72 N 0.67 -1.82 2.90 -0.02 0.00 -1.26 -4.58 105.19 101.09 2heq n GLY 72 Ca 0.00 -1.80 -0.43 0.00 0.00 0.00 0.00 46.02 43.80 2heq n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2heq n LEU 73 N 0.00 6.57 -0.03 0.99 7.99 -1.26 -4.56 117.00 126.69 2heq n LEU 73 Ca 0.00 -4.68 -0.21 0.00 -0.01 0.00 0.00 56.01 51.11 2heq n LEU 73 Cb 0.00 -1.47 -0.13 0.00 -0.11 0.00 0.00 43.42 41.71 2heq n LEU 73 CO 0.00 1.37 -0.89 0.00 -1.51 0.00 0.00 177.39 176.37 2heq n ALA 74 N 3.75 0.97 -1.04 -1.18 0.00 -1.26 -4.97 120.51 116.78 2heq n ALA 74 Ca 0.39 -0.68 -0.01 0.00 0.00 0.00 0.00 53.44 53.13 2heq n ALA 74 Cb 0.36 -0.54 -0.01 0.00 0.00 0.00 0.00 19.45 19.26 2heq n ALA 74 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2heq n TYR 75 N -3.58 0.00 -2.59 0.00 9.36 -1.26 -4.92 117.16 114.16 2heq n TYR 75 Ca -0.35 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.46 2heq n TYR 75 Cb 0.99 -1.27 -0.03 0.00 -0.63 0.00 0.00 39.34 38.40 2heq n TYR 75 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2heq s VAL 76 N -1.56 3.99 0.32 2.97 1.01 -1.26 -4.77 120.40 121.11 2heq s VAL 76 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 61.98 61.06 2heq s VAL 76 Cb 0.00 -5.05 0.00 0.00 0.00 0.00 0.00 36.38 31.33 2heq s VAL 76 CO 0.00 -1.92 0.00 0.18 0.00 0.00 0.00 175.10 173.36 2heq n LEU 77 N 8.68 -2.42 -4.55 3.92 4.77 -1.26 -4.72 117.00 121.41 2heq n LEU 77 Ca 0.34 1.99 -0.38 0.00 -0.03 0.00 0.00 56.01 57.92 2heq n LEU 77 Cb 0.50 -1.57 -0.03 0.00 -2.33 0.00 0.00 43.42 39.99 2heq n LEU 77 CO 0.66 0.15 1.37 -1.83 -1.33 0.00 0.00 177.39 176.41 2heq s GLU 78 N -4.21 3.10 0.06 3.23 1.03 -1.26 -4.96 118.70 115.68 2heq s GLU 78 Ca 0.00 -0.35 -0.31 0.00 0.03 0.00 0.00 54.97 54.35 2heq s GLU 78 Cb 0.00 -4.71 -0.07 0.00 -0.80 0.00 0.00 34.13 28.55 2heq s GLU 78 CO 0.00 -2.47 1.43 -1.01 -1.33 0.00 0.00 175.26 171.88 2heq s HIS 79 N 6.82 2.96 -1.61 4.83 3.76 -1.26 -3.01 115.29 127.78 2heq s HIS 79 Ca 0.50 0.81 -0.05 0.00 -0.15 0.00 0.00 55.06 56.16 2heq s HIS 79 Cb -0.06 -3.71 0.05 0.00 1.11 0.00 0.00 32.58 29.97 2heq s HIS 79 CO 0.06 -2.60 0.18 -2.39 -0.85 0.00 0.00 174.74 169.14 2heq n HIS 80 N 4.80 -1.29 -1.86 1.40 1.44 -1.26 -4.19 115.22 114.25 2heq n HIS 80 Ca 0.13 0.64 -0.01 0.00 -2.01 0.00 0.00 57.72 56.48 2heq n HIS 80 Cb 0.43 -2.71 -0.01 0.00 0.12 0.00 0.00 29.99 27.83 2heq n HIS 80 CO 0.00 0.00 0.00 0.72 -2.81 0.00 0.00 176.34 174.25 2heq n HIS 81 N -4.46 -2.85 -3.09 -1.40 -0.00 -1.16 -5.09 115.22 97.15 2heq n HIS 81 Ca -0.23 1.69 0.04 0.00 -0.00 0.00 0.00 57.72 59.22 2heq n HIS 81 Cb 0.64 -3.08 -0.00 0.00 -0.00 0.00 0.00 29.99 27.55 2heq n HIS 81 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2heq s HIS 82 N -0.36 -1.09 -0.28 4.41 5.65 -1.26 -5.09 115.29 117.27 2heq s HIS 82 Ca -0.03 0.48 -0.09 0.00 0.25 0.00 0.00 55.06 55.67 2heq s HIS 82 Cb 0.00 0.19 -0.03 0.00 -1.18 0.00 0.00 32.58 31.56 2heq s HIS 82 CO 0.08 -0.67 0.14 -1.58 -0.65 0.00 0.00 174.74 172.07 2heq s HIS 83 N 2.57 3.16 0.00 3.88 2.46 -1.26 -4.66 115.29 121.44 2heq s HIS 83 Ca 0.18 -0.24 0.00 0.00 0.47 0.00 0.00 55.06 55.48 2heq s HIS 83 Cb -0.04 -2.33 0.00 0.00 -0.13 0.00 0.00 32.58 30.08 2heq s HIS 83 CO -0.20 -0.30 0.00 1.58 -2.47 0.00 0.00 174.74 173.35