#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2heq s ALA 2 N 0.00 -2.08 0.00 3.04 0.00 -1.26 -5.11 121.76 116.35 2heq s ALA 2 Ca 0.00 2.34 0.00 0.00 0.00 0.00 0.00 51.96 54.30 2heq s ALA 2 Cb 0.00 -1.75 0.00 0.00 0.00 0.00 0.00 23.12 21.37 2heq s ALA 2 CO 0.00 -0.85 0.00 0.41 0.00 0.00 0.00 175.76 175.32 2heq n GLY 3 N 5.24 0.77 2.70 0.00 0.00 -1.26 -5.05 105.19 107.59 2heq n GLY 3 Ca -0.13 -0.98 -0.28 0.00 0.00 0.00 0.00 46.02 44.64 2heq n GLY 3 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2heq n ASP 4 N 0.00 2.22 -2.80 1.61 5.75 -1.26 -5.10 116.55 116.98 2heq n ASP 4 Ca 0.00 -3.03 -0.07 0.00 -0.01 0.00 0.00 54.79 51.67 2heq n ASP 4 Cb 0.00 -0.70 0.04 0.00 -1.03 0.00 0.00 41.12 39.43 2heq n ASP 4 CO 0.00 0.00 0.00 -0.81 -0.11 0.00 0.00 177.20 176.28 2heq n PRO 5 N 2.00 0.35 -3.54 0.11 -0.04 -1.26 -5.09 135.00 127.53 2heq n PRO 5 Ca 0.23 -0.85 -0.28 0.00 -0.04 0.00 0.00 63.50 62.56 2heq n PRO 5 Cb 0.39 -0.22 -0.11 0.00 -0.04 0.00 0.00 33.50 33.52 2heq n PRO 5 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 2heq s LEU 6 N 0.00 2.02 0.28 1.53 2.96 -1.26 -5.12 118.68 119.10 2heq s LEU 6 Ca 0.21 -2.91 -0.29 0.00 -0.22 0.00 0.00 54.13 50.92 2heq s LEU 6 Cb -0.01 -0.70 -0.10 0.00 0.50 0.00 0.00 46.19 45.88 2heq s LEU 6 CO 0.14 -0.20 1.12 -2.84 -1.32 0.00 0.00 176.35 173.25 2heq s PRO 7 N 0.11 4.61 0.00 0.98 0.02 -1.26 -4.98 135.00 134.48 2heq s PRO 7 Ca 0.26 1.85 0.00 0.00 0.02 0.00 0.00 61.00 63.13 2heq s PRO 7 Cb -0.08 -3.18 0.00 0.00 0.02 0.00 0.00 34.50 31.26 2heq s PRO 7 CO -0.11 0.17 0.00 1.63 -0.33 0.00 0.00 177.00 178.35 2heq n LYS 8 N 1.19 0.00 -0.00 5.54 5.02 -1.26 -4.95 118.16 123.70 2heq n LYS 8 Ca -0.01 0.00 0.07 0.00 -2.02 0.00 0.00 58.31 56.35 2heq n LYS 8 Cb 0.44 -0.01 -0.10 0.00 -0.02 0.00 0.00 35.03 35.35 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 -2.11 0.00 -4.87 2.13 4.01 -1.26 -5.09 117.16 109.97 2heq n TYR 9 Ca 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 2heq n TYR 9 Cb 0.00 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 38.87 2heq n TYR 9 CO 0.00 0.00 0.00 0.91 -0.46 0.00 0.00 176.86 177.31 2heq n TRP 10 N -1.67 -0.52 0.18 -0.72 7.02 -1.26 -3.96 117.44 116.52 2heq n TRP 10 Ca 0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 2heq n TRP 10 Cb 0.30 0.14 -0.12 0.00 -2.42 0.00 0.00 31.31 29.21 2heq n TRP 10 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2heq n SER 11 N -2.55 0.29 -4.09 -0.99 7.64 -1.26 -4.92 113.62 107.75 2heq n SER 11 Ca 0.00 -0.10 -0.25 0.00 1.01 0.00 0.00 58.87 59.54 2heq n SER 11 Cb 0.00 1.55 -0.16 0.00 -1.01 0.00 0.00 64.21 64.59 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 -3.40 1.54 1.08 1.43 2.02 -1.25 -5.15 117.35 113.61 2heq s TYR 12 Ca -0.04 -0.46 -0.16 0.00 -0.37 0.00 0.00 57.07 56.04 2heq s TYR 12 Cb 0.14 -1.06 0.23 0.00 -0.40 0.00 0.00 41.96 40.87 2heq s TYR 12 CO 0.88 -0.18 1.13 -2.14 -1.57 0.00 0.00 175.55 173.66 2heq s PRO 13 N 0.20 -0.27 0.13 -1.71 0.02 -1.26 -5.00 135.00 127.11 2heq s PRO 13 Ca -0.06 0.12 -0.17 0.00 0.02 0.00 0.00 61.00 60.91 2heq s PRO 13 Cb -0.12 -1.69 -0.07 0.00 0.02 0.00 0.00 34.50 32.64 2heq s PRO 13 CO 0.02 -3.11 0.58 0.08 -0.33 0.00 0.00 177.00 174.24 2heq s VAL 14 N -3.11 4.77 0.00 3.83 1.01 -1.26 -4.00 120.40 121.64 2heq s VAL 14 Ca 0.68 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.70 2heq s VAL 14 Cb -0.13 -3.81 0.00 0.00 0.00 0.00 0.00 36.38 32.44 2heq s VAL 14 CO 0.56 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.61 2heq n GLY 15 N 1.09 0.68 3.66 4.51 0.00 0.92 -5.03 105.19 111.03 2heq n GLY 15 Ca -0.06 -0.04 -0.40 0.00 0.00 0.00 0.00 46.02 45.52 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 4.15 -0.02 0.99 2.96 -1.25 -4.85 118.68 120.65 2heq s LEU 16 Ca 0.00 0.78 -0.28 0.00 -0.22 0.00 0.00 54.13 54.42 2heq s LEU 16 Cb 0.00 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.82 2heq s LEU 16 CO 0.00 -0.24 0.89 0.00 -1.32 0.00 0.00 176.35 175.68 2heq s ALA 17 N 1.82 3.22 0.07 5.97 0.00 -1.26 -1.00 121.76 130.56 2heq s ALA 17 Ca 0.27 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.67 2heq s ALA 17 Cb -0.16 -3.22 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 2heq s ALA 17 CO 0.10 -0.19 -0.08 0.14 0.00 0.00 0.00 175.76 175.73 2heq s VAL 18 N 0.93 0.67 -0.27 0.00 -7.23 0.86 -0.87 120.40 114.49 2heq s VAL 18 Ca 0.47 -1.42 -0.14 0.00 -1.81 0.00 0.00 61.98 59.08 2heq s VAL 18 Cb -0.20 -1.05 -0.04 0.00 0.56 0.00 0.00 36.38 35.65 2heq s VAL 18 CO 0.25 -0.54 0.35 -1.61 -0.31 0.00 0.00 175.10 173.24 2heq s GLU 19 N -2.41 4.02 -0.01 4.82 0.41 0.94 -1.30 118.70 125.15 2heq s GLU 19 Ca -0.01 0.01 -0.28 0.00 -0.41 0.00 0.00 54.97 54.28 2heq s GLU 19 Cb -0.05 -3.65 -0.03 0.00 -1.78 0.00 0.00 34.13 28.62 2heq s GLU 19 CO -0.01 -0.26 0.91 0.42 -0.49 0.00 0.00 175.26 175.83 2heq s ILE 20 N 2.00 4.90 -0.12 -1.63 1.09 -0.42 -2.16 121.20 124.87 2heq s ILE 20 Ca 0.14 1.90 0.15 0.00 -1.10 0.00 0.00 60.65 61.74 2heq s ILE 20 Cb -0.16 -4.25 0.33 0.00 -1.06 0.00 0.00 42.46 37.33 2heq s ILE 20 CO 0.10 0.19 1.16 -0.46 -0.10 0.00 0.00 174.94 175.83 2heq n ASN 21 N 3.84 1.52 -4.58 3.58 0.23 -0.27 -2.86 115.26 116.73 2heq n ASN 21 Ca 0.04 -3.07 -0.18 0.00 -0.53 0.00 0.00 54.58 50.84 2heq n ASN 21 Cb 0.51 -0.42 -0.10 0.00 -2.08 0.00 0.00 39.78 37.70 2heq n ASN 21 CO 0.00 0.00 0.00 0.21 -0.93 0.00 0.00 177.26 176.54 2heq s ASN 22 N -2.61 3.83 0.00 0.53 3.84 -1.25 -1.42 114.94 117.86 2heq s ASN 22 Ca 0.31 -1.10 0.00 0.00 0.21 0.00 0.00 52.86 52.28 2heq s ASN 22 Cb 0.30 -2.59 0.00 0.00 -0.55 0.00 0.00 41.25 38.41 2heq s ASN 22 CO -0.05 -4.33 0.00 -3.20 -2.79 0.00 0.00 177.10 166.73 2heq n ASN 23 N 18.38 -1.07 -4.55 -4.21 2.85 -1.26 -4.77 115.26 120.63 2heq n ASN 23 Ca 0.42 0.00 -0.36 0.00 -0.11 0.00 0.00 54.58 54.53 2heq n ASN 23 Cb 0.47 -0.35 -0.03 0.00 1.24 0.00 0.00 39.78 41.10 2heq n ASN 23 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2heq s ALA 24 N -2.36 1.74 -1.31 5.20 0.00 -0.51 -3.07 121.76 121.45 2heq s ALA 24 Ca 0.00 -0.15 -0.17 0.00 0.00 0.00 0.00 51.96 51.64 2heq s ALA 24 Cb 0.00 -4.34 0.07 0.00 0.00 0.00 0.00 23.12 18.85 2heq s ALA 24 CO 0.00 -4.35 1.78 0.54 0.00 0.00 0.00 175.76 173.73 2heq n ARG 25 N 9.05 3.17 0.00 0.00 5.12 -1.25 -4.84 116.66 127.92 2heq n ARG 25 Ca 0.33 -3.23 0.00 0.00 -1.93 0.00 0.00 57.85 53.02 2heq n ARG 25 Cb 0.54 -3.45 0.00 0.00 -1.16 0.00 0.00 32.46 28.39 2heq n ARG 25 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2heq n TYR 26 N 7.97 0.00 -0.59 -1.55 4.01 -1.26 -0.87 117.16 124.87 2heq n TYR 26 Ca 0.49 0.00 0.06 0.00 -0.16 0.00 0.00 57.90 58.28 2heq n TYR 26 Cb 0.45 0.00 0.08 0.00 -0.31 0.00 0.00 39.34 39.56 2heq n TYR 26 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2heq n GLY 27 N 0.00 4.04 3.01 2.72 0.00 -1.26 -4.89 105.19 108.80 2heq n GLY 27 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.41 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 4.30 -1.02 -0.90 0.00 -0.02 -1.26 -3.85 135.00 132.25 2heq n PRO 29 Ca 0.08 -0.42 -0.25 0.00 -2.02 0.00 0.00 63.50 60.88 2heq n PRO 29 Cb 0.59 -0.35 -0.03 0.00 -0.02 0.00 0.00 33.50 33.70 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 -2.79 1.52 -1.61 6.00 -0.00 -1.17 -4.15 115.22 113.01 2heq n HIS 30 Ca 0.04 -2.19 -0.16 0.00 -0.00 0.00 0.00 57.72 55.40 2heq n HIS 30 Cb 0.13 -1.86 -0.06 0.00 -0.00 0.00 0.00 29.99 28.20 2heq n HIS 30 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 2heq n HIS 31 N 3.86 -0.13 -1.74 1.57 8.25 -1.26 -4.99 115.22 120.77 2heq n HIS 31 Ca 0.53 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.99 2heq n HIS 31 Cb 0.21 -2.88 0.00 0.00 1.12 0.00 0.00 29.99 28.44 2heq n HIS 31 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 2heq n VAL 32 N -2.79 0.00 -1.87 1.59 0.31 -1.26 -4.88 118.33 109.43 2heq n VAL 32 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 2heq n VAL 32 Cb 0.55 -1.06 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 2heq n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2heq n GLY 33 N 5.00 0.61 3.85 2.92 0.00 -1.13 -4.54 105.19 111.90 2heq n GLY 33 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 46.02 45.26 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 -3.66 3.16 -0.27 1.61 0.52 -1.25 -4.89 118.95 114.17 2heq s ARG 34 Ca 0.00 -0.63 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 2heq s ARG 34 Cb 0.00 -2.85 -0.04 0.00 0.52 0.00 0.00 34.95 32.58 2heq s ARG 34 CO 0.00 0.56 0.14 0.15 0.02 0.00 0.00 175.30 176.17 2heq s LYS 35 N -2.72 3.83 0.13 3.54 1.02 -1.26 -1.29 119.74 122.98 2heq s LYS 35 Ca 0.32 -0.39 0.02 0.00 0.02 0.00 0.00 55.97 55.95 2heq s LYS 35 Cb -0.12 -3.53 -0.01 0.00 -0.52 0.00 0.00 37.83 33.65 2heq s LYS 35 CO 0.25 -0.19 0.13 0.41 -0.92 0.00 0.00 175.35 175.03 2heq n GLY 36 N 5.01 3.39 2.94 -3.33 0.00 -0.42 -0.96 105.19 111.81 2heq n GLY 36 Ca -0.15 -1.68 -0.18 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.46 0.66 -0.35 1.61 2.20 -0.77 -0.10 119.74 120.53 2heq s LYS 37 Ca 0.14 -0.17 -0.29 0.00 -0.36 0.00 0.00 55.97 55.29 2heq s LYS 37 Cb 0.00 -0.66 -0.00 0.00 -1.51 0.00 0.00 37.83 35.67 2heq s LYS 37 CO 0.10 0.04 1.51 0.42 -0.36 0.00 0.00 175.35 177.06 2heq s ILE 38 N 0.35 3.81 -0.42 5.43 1.01 -0.17 -1.46 121.20 129.74 2heq s ILE 38 Ca -0.04 0.85 0.15 0.00 0.00 0.00 0.00 60.65 61.60 2heq s ILE 38 Cb -0.08 -4.00 -0.19 0.00 0.01 0.00 0.00 42.46 38.20 2heq s ILE 38 CO -0.00 -0.58 0.50 2.30 0.00 0.00 0.00 174.94 177.16 2heq n ILE 39 N 6.95 0.00 -3.76 2.92 -5.35 -0.30 -0.05 119.36 119.76 2heq n ILE 39 Ca 0.18 -0.23 -0.13 0.00 -0.27 0.00 0.00 62.75 62.30 2heq n ILE 39 Cb 0.47 0.67 -0.11 0.00 -1.74 0.00 0.00 39.64 38.94 2heq n ILE 39 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2heq s GLU 40 N -2.62 0.41 -0.17 6.28 0.41 -1.21 -4.88 118.70 116.93 2heq s GLU 40 Ca 0.01 0.36 -0.15 0.00 -0.41 0.00 0.00 54.97 54.78 2heq s GLU 40 Cb 0.10 0.20 -0.04 0.00 -1.78 0.00 0.00 34.13 32.61 2heq s GLU 40 CO 0.60 -0.06 0.35 -1.01 -0.49 0.00 0.00 175.26 174.65 2heq s HIS 41 N -0.03 3.44 0.69 1.61 3.76 -1.26 -1.22 115.29 122.28 2heq s HIS 41 Ca -0.02 0.64 0.03 0.00 -0.15 0.00 0.00 55.06 55.56 2heq s HIS 41 Cb -0.03 -2.42 0.12 0.00 1.11 0.00 0.00 32.58 31.37 2heq s HIS 41 CO 0.01 0.16 0.95 -0.51 -0.85 0.00 0.00 174.74 174.50 2heq s LEU 42 N 0.72 2.99 -0.08 0.89 1.43 0.92 -4.94 118.68 120.61 2heq s LEU 42 Ca 0.18 -0.58 0.25 0.00 -1.03 0.00 0.00 54.13 52.95 2heq s LEU 42 Cb -0.14 -1.74 0.45 0.00 0.03 0.00 0.00 46.19 44.79 2heq s LEU 42 CO 0.06 -1.77 1.15 0.00 0.23 0.00 0.00 176.35 176.02 2heq n HIS 43 N -2.69 0.39 -3.30 0.29 1.44 -1.26 -4.85 115.22 105.24 2heq n HIS 43 Ca 0.16 -1.01 -0.21 0.00 -2.01 0.00 0.00 57.72 54.65 2heq n HIS 43 Cb 0.61 -0.18 0.00 0.00 0.12 0.00 0.00 29.99 30.54 2heq n HIS 43 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98 2heq s SER 44 N -2.56 5.95 0.10 4.39 0.15 -1.20 -5.01 113.70 115.52 2heq s SER 44 Ca 0.32 0.06 0.24 0.00 0.70 0.00 0.00 55.95 57.27 2heq s SER 44 Cb 0.37 -1.44 0.26 0.00 -1.71 0.00 0.00 66.02 63.50 2heq s SER 44 CO -0.13 -0.51 1.24 0.00 1.20 0.00 0.00 173.24 175.04 2heq n ALA 45 N -1.81 3.07 -0.06 5.45 0.00 -1.26 -4.21 120.51 121.69 2heq n ALA 45 Ca -0.00 -0.30 -0.18 0.00 0.00 0.00 0.00 53.44 52.97 2heq n ALA 45 Cb 0.58 -1.11 -0.13 0.00 0.00 0.00 0.00 19.45 18.78 2heq n ALA 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2heq n THR 46 N -2.06 1.62 -4.28 0.00 -2.24 -1.26 -4.95 114.28 101.11 2heq n THR 46 Ca 0.03 -0.66 -0.17 0.00 -2.27 0.00 0.00 64.05 60.97 2heq n THR 46 Cb 0.44 -1.42 -0.14 0.00 -2.10 0.00 0.00 70.33 67.11 2heq n THR 46 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 2heq s TYR 47 N -2.54 0.70 -0.14 4.78 2.02 -1.26 -4.64 117.35 116.26 2heq s TYR 47 Ca -0.24 -0.16 0.15 0.00 -0.37 0.00 0.00 57.07 56.45 2heq s TYR 47 Cb 0.08 -0.45 -0.21 0.00 -0.40 0.00 0.00 41.96 40.99 2heq s TYR 47 CO 0.72 -0.01 0.09 -0.25 -1.57 0.00 0.00 175.55 174.53 2heq n ASP 48 N 2.78 1.06 -4.20 2.29 8.00 0.40 -3.25 116.55 123.63 2heq n ASP 48 Ca -0.14 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.24 2heq n ASP 48 Cb 0.57 1.00 -0.10 0.00 -0.02 0.00 0.00 41.12 42.57 2heq n ASP 48 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 2heq s TYR 49 N -2.48 1.02 -0.20 1.24 2.02 -0.07 -0.06 117.35 118.82 2heq s TYR 49 Ca -0.08 -1.01 -0.01 0.00 -0.37 0.00 0.00 57.07 55.60 2heq s TYR 49 Cb 0.05 -0.59 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 2heq s TYR 49 CO 0.66 -0.23 -0.12 0.00 -1.57 0.00 0.00 175.55 174.29 2heq s ALA 50 N -3.70 2.57 -0.11 3.71 0.00 -0.36 -1.20 121.76 122.67 2heq s ALA 50 Ca 0.19 -1.20 0.01 0.00 0.00 0.00 0.00 51.96 50.96 2heq s ALA 50 Cb 0.06 -1.45 -0.01 0.00 0.00 0.00 0.00 23.12 21.72 2heq s ALA 50 CO -0.00 -0.40 -0.17 0.08 0.00 0.00 0.00 175.76 175.27 2heq s VAL 51 N 1.38 2.73 -0.39 0.00 1.01 0.70 -1.15 120.40 124.68 2heq s VAL 51 Ca 0.05 -0.78 -0.18 0.00 0.00 0.00 0.00 61.98 61.07 2heq s VAL 51 Cb -0.14 -2.11 0.01 0.00 0.00 0.00 0.00 36.38 34.14 2heq s VAL 51 CO -0.08 0.54 0.49 -0.44 0.00 0.00 0.00 175.10 175.61 2heq s SER 52 N 0.27 6.26 0.95 3.32 0.01 -0.54 -0.33 113.70 123.65 2heq s SER 52 Ca -0.12 -0.34 -0.14 0.00 1.31 0.00 0.00 55.95 56.66 2heq s SER 52 Cb -0.16 -2.25 0.17 0.00 0.21 0.00 0.00 66.02 63.98 2heq s SER 52 CO 0.06 -0.56 1.19 -1.81 0.41 0.00 0.00 173.24 172.53 2heq s ASP 53 N 1.82 3.16 0.33 2.44 1.01 0.86 -1.84 116.67 124.44 2heq s ASP 53 Ca 0.16 0.70 0.04 0.00 0.71 0.00 0.00 52.55 54.17 2heq s ASP 53 Cb -0.16 -1.08 0.67 0.00 1.01 0.00 0.00 42.92 43.36 2heq s ASP 53 CO 0.14 -2.75 1.89 -0.33 0.21 0.00 0.00 175.17 174.34 2heq h GLU 54 N -1.64 0.84 0.00 8.23 5.08 -1.38 0.20 114.58 125.91 2heq h GLU 54 Ca -0.47 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 57.84 2heq h GLU 54 Cb 1.30 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 30.36 2heq h GLU 54 CO 0.52 0.56 0.00 0.25 -1.00 0.00 0.00 179.01 179.34 2heq n THR 55 N -4.54 0.51 -0.76 1.13 -2.24 -1.26 -4.82 114.28 102.31 2heq n THR 55 Ca 0.16 0.13 0.00 0.00 -2.27 0.00 0.00 64.05 62.06 2heq n THR 55 Cb 0.33 -0.87 0.00 0.00 -2.10 0.00 0.00 70.33 67.69 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 0.06 0.67 3.75 3.38 0.00 0.71 -5.03 105.19 108.72 2heq n GLY 56 Ca 0.08 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.70 2heq n GLY 56 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2heq s ASP 57 N -2.19 7.47 -0.53 1.61 1.11 -1.25 -4.74 116.67 118.16 2heq s ASP 57 Ca 0.00 2.08 -0.16 0.00 0.18 0.00 0.00 52.55 54.64 2heq s ASP 57 Cb 0.00 -2.62 0.11 0.00 1.07 0.00 0.00 42.92 41.49 2heq s ASP 57 CO 0.00 0.01 0.50 -0.63 1.18 0.00 0.00 175.17 176.23 2heq s ILE 58 N -1.05 5.16 0.01 0.77 1.01 -1.26 -0.10 121.20 125.74 2heq s ILE 58 Ca 0.43 -1.30 0.05 0.00 0.00 0.00 0.00 60.65 59.84 2heq s ILE 58 Cb -0.28 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 37.85 2heq s ILE 58 CO 0.36 -0.82 -0.14 -0.89 0.00 0.00 0.00 174.94 173.44 2heq s THR 59 N 1.77 3.11 -0.04 2.92 2.01 0.55 -4.92 115.64 121.05 2heq s THR 59 Ca 0.05 -0.95 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 2heq s THR 59 Cb -0.28 -2.30 -0.05 0.00 0.01 0.00 0.00 72.50 69.88 2heq s THR 59 CO 0.05 0.42 0.38 -0.31 -0.69 0.00 0.00 174.62 174.47 2heq s TYR 60 N -0.90 3.67 0.22 4.92 2.02 -1.26 -0.21 117.35 125.80 2heq s TYR 60 Ca 0.15 0.91 0.00 0.00 -0.37 0.00 0.00 57.07 57.76 2heq s TYR 60 Cb -0.11 -2.30 -0.04 0.00 -0.40 0.00 0.00 41.96 39.12 2heq s TYR 60 CO 0.05 0.55 0.15 -0.06 -1.57 0.00 0.00 175.55 174.67 2heq s PHE 61 N -0.71 1.26 0.30 2.71 0.08 -0.34 -4.96 117.98 116.32 2heq s PHE 61 Ca 0.23 -1.42 0.07 0.00 0.12 0.00 0.00 56.93 55.93 2heq s PHE 61 Cb -0.16 -0.60 -0.03 0.00 -0.57 0.00 0.00 43.02 41.67 2heq s PHE 61 CO 0.11 -0.67 0.31 0.15 -0.10 0.00 0.00 175.22 175.03 2heq s LYS 62 N -4.05 2.97 0.29 0.44 1.02 -1.26 -0.45 119.74 118.69 2heq s LYS 62 Ca 0.39 -1.09 0.23 0.00 0.02 0.00 0.00 55.97 55.52 2heq s LYS 62 Cb 0.06 -2.63 1.06 0.00 -0.52 0.00 0.00 37.83 35.80 2heq s LYS 62 CO 0.14 0.23 1.69 -1.91 -0.92 0.00 0.00 175.35 174.58 2heq n GLU 63 N -1.37 0.17 0.14 1.68 0.00 -1.26 -2.33 120.64 117.67 2heq n GLU 63 Ca -0.04 0.51 0.04 0.00 0.00 0.00 0.00 57.16 57.67 2heq n GLU 63 Cb 0.58 -1.91 0.04 0.00 0.00 0.00 0.00 31.44 30.16 2heq n GLU 63 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2heq h HIS 64 N 0.00 0.00 -0.19 4.31 2.76 -2.02 -3.28 115.15 116.73 2heq h HIS 64 Ca 0.00 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.17 2heq h HIS 64 Cb 0.22 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.18 2heq h HIS 64 CO 0.00 0.39 0.00 0.39 -1.30 0.00 0.00 177.93 177.41 2heq n GLU 65 N -3.15 2.51 -3.97 5.26 4.71 -0.99 -4.94 120.64 120.07 2heq n GLU 65 Ca 0.01 -2.73 -0.34 0.00 -0.01 0.00 0.00 57.16 54.09 2heq n GLU 65 Cb 0.70 -1.73 -0.15 0.00 -1.01 0.00 0.00 31.44 29.25 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 -2.75 2.77 -0.21 -4.62 1.43 -1.22 -1.11 118.68 112.98 2heq s LEU 66 Ca 0.38 -0.57 -0.02 0.00 -1.03 0.00 0.00 54.13 52.89 2heq s LEU 66 Cb 0.31 -1.66 0.00 0.00 0.03 0.00 0.00 46.19 44.88 2heq s LEU 66 CO 0.08 -0.04 -0.10 -0.89 0.23 0.00 0.00 176.35 175.62 2heq s THR 67 N 1.40 2.87 0.29 5.49 2.01 -0.92 -4.97 115.64 121.80 2heq s THR 67 Ca 0.04 -0.68 -0.30 0.00 0.31 0.00 0.00 61.69 61.06 2heq s THR 67 Cb -0.14 -2.28 -0.12 0.00 0.01 0.00 0.00 72.50 69.96 2heq s THR 67 CO -0.06 0.46 1.44 -2.65 -0.69 0.00 0.00 174.62 173.12 2heq n PRO 68 N 4.73 2.31 -2.07 4.92 -0.02 -1.26 -0.04 135.00 143.56 2heq n PRO 68 Ca -0.19 0.82 -0.37 0.00 -2.02 0.00 0.00 63.50 61.74 2heq n PRO 68 Cb 0.50 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 2heq n PRO 68 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2heq s LEU 69 N -0.49 3.26 -0.08 2.45 1.43 -0.05 -4.77 118.68 120.45 2heq s LEU 69 Ca 0.63 0.12 0.01 0.00 -1.03 0.00 0.00 54.13 53.86 2heq s LEU 69 Cb -0.57 -2.54 0.02 0.00 0.03 0.00 0.00 46.19 43.13 2heq s LEU 69 CO 0.53 -2.40 -0.08 -0.75 0.23 0.00 0.00 176.35 173.88 2heq s LYS 70 N 6.95 1.41 0.00 1.70 2.20 -1.26 -4.95 119.74 125.80 2heq s LYS 70 Ca 0.66 -0.27 0.00 0.00 -0.36 0.00 0.00 55.97 56.00 2heq s LYS 70 Cb -0.11 -1.34 0.00 0.00 -1.51 0.00 0.00 37.83 34.87 2heq s LYS 70 CO 0.17 -0.11 0.00 0.41 -0.36 0.00 0.00 175.35 175.46 2heq n GLY 71 N 4.32 0.00 5.86 5.54 0.00 -1.26 -5.03 105.19 114.61 2heq n GLY 71 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 0.00 2.11 0.00 -0.02 0.00 -1.26 -4.48 105.19 101.54 2heq n GLY 72 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2heq n GLY 72 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2heq n LEU 73 N 0.00 0.00 -0.04 0.99 7.94 -1.26 -4.95 117.00 119.68 2heq n LEU 73 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2heq n LEU 73 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2heq n LEU 73 CO 0.00 0.00 0.11 0.00 -1.11 0.00 0.00 177.39 176.39 2heq n ALA 74 N 0.00 1.08 -3.83 1.96 0.00 -1.26 -5.04 120.51 113.41 2heq n ALA 74 Ca 0.00 -0.20 -0.33 0.00 0.00 0.00 0.00 53.44 52.90 2heq n ALA 74 Cb 0.00 -0.01 -0.12 0.00 0.00 0.00 0.00 19.45 19.32 2heq n ALA 74 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 2heq s TYR 75 N 0.00 3.32 0.00 0.00 2.02 -1.26 -4.76 117.35 116.66 2heq s TYR 75 Ca 0.00 -2.93 0.00 0.00 -0.37 0.00 0.00 57.07 53.77 2heq s TYR 75 Cb 0.00 -3.03 0.00 0.00 -0.40 0.00 0.00 41.96 38.53 2heq s TYR 75 CO 0.00 -0.80 0.57 1.55 -1.57 0.00 0.00 175.55 175.30 2heq n VAL 76 N 3.34 0.32 0.05 0.71 3.14 -1.26 -4.76 118.33 119.87 2heq n VAL 76 Ca 0.06 -0.39 -0.19 0.00 -2.96 0.00 0.00 64.34 60.87 2heq n VAL 76 Cb 0.35 1.01 -0.14 0.00 -1.06 0.00 0.00 33.84 34.00 2heq n VAL 76 CO 0.00 0.00 0.00 -0.07 -6.46 0.00 0.00 176.83 170.30 2heq h LEU 77 N 0.00 0.44 0.00 6.55 4.07 -2.02 -3.44 115.31 120.91 2heq h LEU 77 Ca 0.00 -0.69 0.00 0.00 0.08 0.00 0.00 57.88 57.27 2heq h LEU 77 Cb 0.61 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.21 2heq h LEU 77 CO 0.00 1.59 0.00 -1.84 -1.08 0.00 0.00 178.44 177.11 2heq n GLU 78 N -3.47 0.00 0.00 1.13 0.00 -1.26 -4.96 120.64 112.08 2heq n GLU 78 Ca -0.21 0.00 0.00 0.00 0.00 0.00 0.00 57.16 56.95 2heq n GLU 78 Cb 1.06 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.50 2heq n GLU 78 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 2heq n HIS 79 N -1.40 0.00 0.00 -1.84 -0.00 -1.26 -4.71 115.22 106.00 2heq n HIS 79 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2heq n HIS 79 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 2heq n HIS 79 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2heq n HIS 80 N 0.00 0.00 -4.60 1.57 8.25 -1.26 -5.19 115.22 113.99 2heq n HIS 80 Ca 0.00 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.19 2heq n HIS 80 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2heq n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2heq s HIS 81 N -2.00 2.33 0.20 4.41 3.76 -1.26 -5.05 115.29 117.68 2heq s HIS 81 Ca 0.00 -0.77 -0.04 0.00 -0.15 0.00 0.00 55.06 54.10 2heq s HIS 81 Cb 0.00 -1.66 0.14 0.00 1.11 0.00 0.00 32.58 32.17 2heq s HIS 81 CO 0.00 0.33 1.55 0.45 -0.85 0.00 0.00 174.74 176.22 2heq h HIS 82 N 1.79 0.78 -4.77 1.40 3.86 -2.03 -3.44 115.15 112.73 2heq h HIS 82 Ca -0.43 -0.24 -0.32 0.00 -1.16 0.00 0.00 60.37 58.22 2heq h HIS 82 Cb 1.25 -0.16 -0.04 0.00 1.06 0.00 0.00 27.41 29.51 2heq h HIS 82 CO 0.81 0.97 -0.19 0.72 0.86 0.00 0.00 177.93 181.09 2heq n HIS 83 N -4.02 -0.28 -0.94 2.45 8.25 -1.26 -5.38 115.22 114.04 2heq n HIS 83 Ca -0.02 -1.25 0.00 0.00 -0.26 0.00 0.00 57.72 56.19 2heq n HIS 83 Cb 0.54 -0.21 0.00 0.00 1.12 0.00 0.00 29.99 31.45 2heq n HIS 83 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59