#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 -3.49 0.51 -5.12 0.00 -1.26 -4.95 120.51 106.19 2heq n ALA 2 Ca 0.00 1.47 0.12 0.00 0.00 0.00 0.00 53.44 55.03 2heq n ALA 2 Cb 0.00 -2.87 0.16 0.00 0.00 0.00 0.00 19.45 16.74 2heq n ALA 2 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2heq h GLY 3 N 2.78 0.00 -7.45 0.00 0.00 -2.08 -3.41 103.07 92.91 2heq h GLY 3 Ca -0.32 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 46.35 2heq h GLY 3 CO 0.02 0.00 -0.60 0.51 0.00 0.00 0.00 176.54 176.47 2heq s ASP 4 N -4.43 4.54 -1.05 0.19 -4.77 -1.26 -5.02 116.67 104.87 2heq s ASP 4 Ca 0.06 -2.84 -0.15 0.00 -3.30 0.00 0.00 52.55 46.32 2heq s ASP 4 Cb 0.13 -1.67 0.18 0.00 -1.09 0.00 0.00 42.92 40.46 2heq s ASP 4 CO 0.72 -0.28 1.20 -2.16 0.70 0.00 0.00 175.17 175.35 2heq s PRO 5 N -0.05 3.88 -0.41 2.11 0.05 -1.26 -4.95 135.00 134.37 2heq s PRO 5 Ca 0.16 -2.38 -0.27 0.00 0.05 0.00 0.00 61.00 58.56 2heq s PRO 5 Cb -0.24 -4.86 0.02 0.00 0.05 0.00 0.00 34.50 29.47 2heq s PRO 5 CO -0.02 -1.64 1.01 -0.51 0.05 0.00 0.00 177.00 175.90 2heq s LEU 6 N 1.38 3.88 0.00 -3.56 1.43 -1.26 -4.89 118.68 115.66 2heq s LEU 6 Ca 0.35 0.53 0.14 0.00 -1.03 0.00 0.00 54.13 54.11 2heq s LEU 6 Cb -0.05 -3.38 0.82 0.00 0.03 0.00 0.00 46.19 43.61 2heq s LEU 6 CO -0.05 -1.02 1.32 -0.81 0.23 0.00 0.00 176.35 176.02 2heq n PRO 7 N 7.19 0.71 -0.02 1.29 -0.04 -1.26 -1.59 135.00 141.27 2heq n PRO 7 Ca 0.09 0.00 0.01 0.00 -0.04 0.00 0.00 63.50 63.56 2heq n PRO 7 Cb 0.48 -1.30 0.02 0.00 -0.04 0.00 0.00 33.50 32.66 2heq n PRO 7 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2heq n LYS 8 N -0.80 2.91 -1.50 0.54 5.02 -1.26 -4.91 118.16 118.15 2heq n LYS 8 Ca 0.10 -1.55 0.00 0.00 -2.02 0.00 0.00 58.31 54.84 2heq n LYS 8 Cb 0.05 -1.03 0.00 0.00 -0.02 0.00 0.00 35.03 34.02 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 -0.36 -0.15 -3.60 2.13 4.01 -0.62 -4.82 117.16 113.74 2heq n TYR 9 Ca 0.01 0.00 -0.41 0.00 -0.16 0.00 0.00 57.90 57.35 2heq n TYR 9 Cb 0.27 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.19 2heq n TYR 9 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 2heq s TRP 10 N -2.94 3.27 -0.13 -0.72 0.51 -1.26 -4.83 118.94 112.83 2heq s TRP 10 Ca 0.00 -1.13 0.16 0.00 -2.12 0.00 0.00 56.10 53.01 2heq s TRP 10 Cb 0.00 -2.59 -0.24 0.00 -0.81 0.00 0.00 33.47 29.83 2heq s TRP 10 CO 0.00 -0.71 0.34 -1.13 -0.51 0.00 0.00 176.95 174.94 2heq n SER 11 N 4.98 0.38 -4.76 2.95 3.41 -1.26 -4.91 113.62 114.42 2heq n SER 11 Ca -0.11 0.18 -0.36 0.00 -0.26 0.00 0.00 58.87 58.32 2heq n SER 11 Cb 0.45 0.55 -0.07 0.00 -0.26 0.00 0.00 64.21 64.88 2heq n SER 11 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 2heq s TYR 12 N -2.56 3.49 0.78 7.33 2.02 -1.26 -5.09 117.35 122.06 2heq s TYR 12 Ca -0.08 0.57 -0.11 0.00 -0.37 0.00 0.00 57.07 57.08 2heq s TYR 12 Cb 0.07 -2.25 0.06 0.00 -0.40 0.00 0.00 41.96 39.44 2heq s TYR 12 CO 0.83 0.34 1.09 -2.14 -1.57 0.00 0.00 175.55 174.11 2heq s PRO 13 N 0.14 2.23 0.23 -1.71 0.02 -1.26 -5.05 135.00 129.59 2heq s PRO 13 Ca 0.15 0.65 -0.23 0.00 0.02 0.00 0.00 61.00 61.59 2heq s PRO 13 Cb -0.13 -1.93 -0.09 0.00 0.02 0.00 0.00 34.50 32.37 2heq s PRO 13 CO 0.04 -1.52 0.80 0.08 -0.33 0.00 0.00 177.00 176.06 2heq s VAL 14 N -3.17 4.40 0.00 3.83 1.01 -1.26 -3.87 120.40 121.35 2heq s VAL 14 Ca 0.60 1.56 0.00 0.00 0.00 0.00 0.00 61.98 64.15 2heq s VAL 14 Cb -0.14 -3.99 0.00 0.00 0.00 0.00 0.00 36.38 32.25 2heq s VAL 14 CO 0.54 0.29 0.00 0.61 0.00 0.00 0.00 175.10 176.54 2heq n GLY 15 N 0.94 0.71 3.69 4.51 0.00 0.41 -5.02 105.19 110.43 2heq n GLY 15 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 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 3.58 0.23 0.99 2.96 -1.25 -4.95 118.68 120.24 2heq s LEU 16 Ca 0.00 0.10 -0.24 0.00 -0.22 0.00 0.00 54.13 53.77 2heq s LEU 16 Cb 0.00 -1.90 -0.09 0.00 0.50 0.00 0.00 46.19 44.70 2heq s LEU 16 CO 0.00 0.34 0.82 0.00 -1.32 0.00 0.00 176.35 176.19 2heq s ALA 17 N -0.96 3.36 0.04 5.97 0.00 -1.26 -1.77 121.76 127.14 2heq s ALA 17 Ca 0.16 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.51 2heq s ALA 17 Cb -0.11 -3.00 -0.02 0.00 0.00 0.00 0.00 23.12 19.98 2heq s ALA 17 CO 0.05 0.26 -0.08 0.14 0.00 0.00 0.00 175.76 176.14 2heq s VAL 18 N -1.39 0.59 -0.00 0.00 -7.23 0.74 0.07 120.40 113.18 2heq s VAL 18 Ca 0.42 -1.00 0.02 0.00 -1.81 0.00 0.00 61.98 59.62 2heq s VAL 18 Cb -0.20 -0.63 -0.03 0.00 0.56 0.00 0.00 36.38 36.07 2heq s VAL 18 CO 0.25 -0.30 -0.04 -1.61 -0.31 0.00 0.00 175.10 173.09 2heq s GLU 19 N -1.41 2.65 -0.13 4.82 2.02 0.19 -0.17 118.70 126.67 2heq s GLU 19 Ca -0.08 -0.67 -0.25 0.00 0.02 0.00 0.00 54.97 54.00 2heq s GLU 19 Cb -0.09 -2.57 -0.02 0.00 0.10 0.00 0.00 34.13 31.54 2heq s GLU 19 CO 0.01 0.61 0.79 0.42 0.02 0.00 0.00 175.26 177.11 2heq s ILE 20 N -1.03 4.94 0.90 -1.63 1.09 0.05 -1.74 121.20 123.77 2heq s ILE 20 Ca 0.18 1.58 -0.13 0.00 -1.10 0.00 0.00 60.65 61.18 2heq s ILE 20 Cb -0.11 -4.11 0.13 0.00 -1.06 0.00 0.00 42.46 37.31 2heq s ILE 20 CO 0.08 0.10 1.16 0.20 -0.10 0.00 0.00 174.94 176.39 2heq s ASN 21 N 1.05 3.63 -0.01 3.58 0.01 -0.43 -4.05 114.94 118.71 2heq s ASN 21 Ca 0.38 0.85 0.00 0.00 -0.71 0.00 0.00 52.86 53.39 2heq s ASN 21 Cb -0.17 -1.35 0.03 0.00 0.41 0.00 0.00 41.25 40.17 2heq s ASN 21 CO 0.15 -2.47 0.80 -0.46 -1.51 0.00 0.00 177.10 173.61 2heq n ASN 22 N -3.69 2.13 -0.05 -1.22 6.94 -1.26 -2.79 115.26 115.32 2heq n ASN 22 Ca 0.08 -2.04 -0.08 0.00 -0.02 0.00 0.00 54.58 52.52 2heq n ASN 22 Cb 0.60 -0.51 -0.14 0.00 -2.36 0.00 0.00 39.78 37.37 2heq n ASN 22 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 2heq n ASN 23 N 0.24 0.51 -1.21 0.53 4.05 -1.26 -3.99 115.26 114.13 2heq n ASN 23 Ca 0.02 0.24 -0.03 0.00 0.45 0.00 0.00 54.58 55.26 2heq n ASN 23 Cb 0.42 0.43 0.10 0.00 1.23 0.00 0.00 39.78 41.95 2heq n ASN 23 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 2heq n ALA 24 N -2.60 3.28 0.76 5.20 0.00 -1.12 -4.19 120.51 121.83 2heq n ALA 24 Ca -0.22 -0.83 0.09 0.00 0.00 0.00 0.00 53.44 52.48 2heq n ALA 24 Cb 1.05 -1.10 0.42 0.00 0.00 0.00 0.00 19.45 19.82 2heq n ALA 24 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2heq n ARG 25 N 0.07 0.18 0.06 0.00 0.63 -1.26 -1.35 116.66 115.00 2heq n ARG 25 Ca 0.15 0.15 -0.05 0.00 -0.92 0.00 0.00 57.85 57.18 2heq n ARG 25 Cb 0.74 -1.50 0.15 0.00 0.45 0.00 0.00 32.46 32.31 2heq n ARG 25 CO 0.00 0.00 0.00 1.88 -2.51 0.00 0.00 177.63 177.00 2heq h TYR 26 N 0.00 0.40 -0.01 -0.14 0.05 -1.91 -2.83 116.97 112.53 2heq h TYR 26 Ca 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 58.73 58.65 2heq h TYR 26 Cb 0.20 -0.08 0.00 0.00 1.01 0.00 0.00 36.73 37.86 2heq h TYR 26 CO 0.00 0.75 -0.53 0.41 -1.05 0.00 0.00 178.16 177.74 2heq n GLY 27 N 0.03 -0.23 2.30 3.88 0.00 -0.45 -4.54 105.19 106.17 2heq n GLY 27 Ca -0.02 -0.50 -0.25 0.00 0.00 0.00 0.00 46.02 45.24 2heq n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2heq s PRO 29 N -1.78 4.25 -1.57 0.00 0.04 -1.07 -2.59 135.00 132.27 2heq s PRO 29 Ca 0.37 2.03 -0.01 0.00 0.04 0.00 0.00 61.00 63.43 2heq s PRO 29 Cb 0.16 -3.68 0.00 0.00 0.04 0.00 0.00 34.50 31.02 2heq s PRO 29 CO -0.06 -0.66 0.12 0.72 0.04 0.00 0.00 177.00 177.15 2heq n HIS 30 N 5.88 -1.28 0.00 0.56 8.25 -1.26 -4.82 115.22 122.55 2heq n HIS 30 Ca 0.14 0.10 0.00 0.00 -0.26 0.00 0.00 57.72 57.71 2heq n HIS 30 Cb 0.43 -3.76 0.00 0.00 1.12 0.00 0.00 29.99 27.78 2heq n HIS 30 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2heq n HIS 31 N -3.95 0.00 -4.75 4.41 8.25 -1.07 -5.15 115.22 112.96 2heq n HIS 31 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2heq n HIS 31 Cb 0.66 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.77 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 -0.15 0.00 -1.00 1.59 0.31 -1.19 -4.91 118.33 112.97 2heq n VAL 32 Ca 0.00 0.00 -0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2heq n VAL 32 Cb 0.00 0.00 -0.00 0.00 -0.91 0.00 0.00 33.84 32.93 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 0.00 0.46 3.74 2.92 0.00 -1.26 -5.01 105.19 106.06 2heq n GLY 33 Ca 0.00 -0.34 -0.41 0.00 0.00 0.00 0.00 46.02 45.27 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 -0.66 4.69 -0.08 1.61 0.52 -1.26 -4.92 118.95 118.85 2heq s ARG 34 Ca 0.00 1.63 0.03 0.00 -0.52 0.00 0.00 55.73 56.87 2heq s ARG 34 Cb 0.00 -3.27 0.01 0.00 0.52 0.00 0.00 34.95 32.21 2heq s ARG 34 CO 0.00 0.24 -0.16 0.21 0.02 0.00 0.00 175.30 175.62 2heq s LYS 35 N -0.76 2.09 0.00 3.54 2.20 -1.26 -0.77 119.74 124.77 2heq s LYS 35 Ca 0.46 -0.55 0.00 0.00 -0.36 0.00 0.00 55.97 55.52 2heq s LYS 35 Cb -0.28 -1.67 0.00 0.00 -1.51 0.00 0.00 37.83 34.37 2heq s LYS 35 CO 0.35 0.07 0.00 0.41 -0.36 0.00 0.00 175.35 175.81 2heq n GLY 36 N 3.74 4.64 2.86 5.54 0.00 0.76 -0.72 105.19 122.01 2heq n GLY 36 Ca -0.22 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 43.99 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 -0.93 0.02 -0.12 1.61 2.20 0.01 -0.19 119.74 122.35 2heq s LYS 37 Ca 0.00 0.15 -0.29 0.00 -0.36 0.00 0.00 55.97 55.47 2heq s LYS 37 Cb 0.00 -0.11 -0.03 0.00 -1.51 0.00 0.00 37.83 36.17 2heq s LYS 37 CO 0.00 -0.09 1.48 0.42 -0.36 0.00 0.00 175.35 176.79 2heq s ILE 38 N 0.61 3.90 -0.21 5.43 1.01 -0.73 -0.21 121.20 131.00 2heq s ILE 38 Ca -0.05 1.08 0.06 0.00 0.00 0.00 0.00 60.65 61.74 2heq s ILE 38 Cb -0.07 -3.72 -0.07 0.00 0.01 0.00 0.00 42.46 38.61 2heq s ILE 38 CO -0.02 -0.12 0.22 2.30 0.00 0.00 0.00 174.94 177.32 2heq n ILE 39 N 5.52 0.00 -3.64 2.92 -5.35 -0.35 -0.44 119.36 118.01 2heq n ILE 39 Ca 0.16 -0.30 -0.16 0.00 -0.27 0.00 0.00 62.75 62.18 2heq n ILE 39 Cb 0.44 0.84 -0.07 0.00 -1.74 0.00 0.00 39.64 39.10 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 -1.78 0.87 -0.40 6.28 2.56 -1.23 -4.92 118.70 120.08 2heq s GLU 40 Ca 0.01 0.05 -0.12 0.00 0.00 0.00 0.00 54.97 54.91 2heq s GLU 40 Cb 0.04 0.40 0.04 0.00 2.00 0.00 0.00 34.13 36.62 2heq s GLU 40 CO 0.25 -0.26 0.25 -1.01 -0.56 0.00 0.00 175.26 173.93 2heq s HIS 41 N -1.25 3.26 -0.13 5.30 3.76 -1.26 -1.92 115.29 123.05 2heq s HIS 41 Ca -0.12 -1.03 -0.29 0.00 -0.15 0.00 0.00 55.06 53.46 2heq s HIS 41 Cb -0.03 -2.64 -0.01 0.00 1.11 0.00 0.00 32.58 31.01 2heq s HIS 41 CO 0.07 -0.70 1.00 -0.51 -0.85 0.00 0.00 174.74 173.75 2heq s LEU 42 N 1.55 4.22 -1.24 0.89 1.43 -0.12 -4.96 118.68 120.46 2heq s LEU 42 Ca 0.03 1.48 -0.16 0.00 -1.03 0.00 0.00 54.13 54.44 2heq s LEU 42 Cb -0.21 -3.53 0.12 0.00 0.03 0.00 0.00 46.19 42.61 2heq s LEU 42 CO 0.06 -0.48 1.56 -1.38 0.23 0.00 0.00 176.35 176.35 2heq s HIS 43 N 2.22 3.13 0.32 0.29 -3.43 -1.26 -4.41 115.29 112.16 2heq s HIS 43 Ca 0.47 -1.85 -0.02 0.00 -0.80 0.00 0.00 55.06 52.86 2heq s HIS 43 Cb -0.18 -4.53 -0.00 0.00 -1.43 0.00 0.00 32.58 26.44 2heq s HIS 43 CO 0.15 -1.60 0.43 0.45 -2.00 0.00 0.00 174.74 172.17 2heq s SER 44 N 3.55 0.85 0.00 7.38 0.15 -1.26 -5.05 113.70 119.32 2heq s SER 44 Ca 0.48 -1.46 0.06 0.00 0.70 0.00 0.00 55.95 55.73 2heq s SER 44 Cb 0.00 0.63 -0.05 0.00 -1.71 0.00 0.00 66.02 64.88 2heq s SER 44 CO 0.03 -1.23 0.28 0.00 1.20 0.00 0.00 173.24 173.53 2heq n ALA 45 N -0.53 2.74 -0.10 5.45 0.00 -1.26 -4.64 120.51 122.17 2heq n ALA 45 Ca 0.01 -0.19 -0.23 0.00 0.00 0.00 0.00 53.44 53.03 2heq n ALA 45 Cb 0.62 -0.21 -0.12 0.00 0.00 0.00 0.00 19.45 19.74 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 -1.02 1.57 -3.78 0.00 -1.04 -1.26 -4.90 114.28 103.85 2heq n THR 46 Ca 0.01 -0.40 -0.21 0.00 -2.04 0.00 0.00 64.05 61.42 2heq n THR 46 Cb 0.10 -1.78 -0.17 0.00 -1.82 0.00 0.00 70.33 66.65 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 -2.49 0.42 -0.46 -1.42 2.02 -1.26 -4.70 117.35 109.47 2heq s TYR 47 Ca -0.32 -0.00 0.11 0.00 -0.37 0.00 0.00 57.07 56.48 2heq s TYR 47 Cb 0.10 -0.63 -0.13 0.00 -0.40 0.00 0.00 41.96 40.90 2heq s TYR 47 CO 0.60 -0.24 0.44 -0.40 -1.57 0.00 0.00 175.55 174.37 2heq n ASP 48 N 4.98 0.75 -4.11 2.29 5.68 -0.78 -4.12 116.55 121.24 2heq n ASP 48 Ca -0.10 -0.67 -0.24 0.00 -0.50 0.00 0.00 54.79 53.29 2heq n ASP 48 Cb 0.50 1.06 -0.15 0.00 -1.14 0.00 0.00 41.12 41.39 2heq n ASP 48 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 2heq s TYR 49 N -2.13 1.40 -0.42 2.11 2.02 -0.48 -0.94 117.35 118.90 2heq s TYR 49 Ca 0.03 -0.32 -0.12 0.00 -0.37 0.00 0.00 57.07 56.28 2heq s TYR 49 Cb 0.08 -0.93 0.05 0.00 -0.40 0.00 0.00 41.96 40.77 2heq s TYR 49 CO 0.45 -0.08 0.29 0.00 -1.57 0.00 0.00 175.55 174.64 2heq s ALA 50 N -0.14 3.39 -0.25 3.71 0.00 -0.81 -0.60 121.76 127.06 2heq s ALA 50 Ca 0.01 -1.93 -0.10 0.00 0.00 0.00 0.00 51.96 49.94 2heq s ALA 50 Cb -0.08 -2.79 -0.05 0.00 0.00 0.00 0.00 23.12 20.20 2heq s ALA 50 CO 0.00 -1.56 0.15 0.08 0.00 0.00 0.00 175.76 174.43 2heq s VAL 51 N 1.57 5.12 -0.57 0.00 1.01 0.31 -1.22 120.40 126.62 2heq s VAL 51 Ca 0.03 0.10 -0.22 0.00 0.00 0.00 0.00 61.98 61.89 2heq s VAL 51 Cb -0.21 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.82 2heq s VAL 51 CO 0.06 0.32 0.85 -0.55 0.00 0.00 0.00 175.10 175.77 2heq s SER 52 N 1.36 6.25 0.86 3.32 0.15 0.70 -0.75 113.70 125.59 2heq s SER 52 Ca 0.07 -0.76 -0.11 0.00 0.70 0.00 0.00 55.95 55.85 2heq s SER 52 Cb -0.15 -2.38 0.11 0.00 -1.71 0.00 0.00 66.02 61.89 2heq s SER 52 CO 0.07 -1.19 1.10 -0.62 1.20 0.00 0.00 173.24 173.80 2heq s ASP 53 N 3.10 3.61 0.00 5.45 -1.08 0.11 -0.81 116.67 127.04 2heq s ASP 53 Ca 0.23 1.85 0.21 0.00 -0.52 0.00 0.00 52.55 54.32 2heq s ASP 53 Cb -0.16 -2.46 0.96 0.00 -1.46 0.00 0.00 42.92 39.80 2heq s ASP 53 CO 0.14 -2.61 1.66 -1.84 0.52 0.00 0.00 175.17 173.04 2heq n GLU 54 N -3.90 0.14 0.24 4.34 0.28 0.11 -0.77 120.64 121.08 2heq n GLU 54 Ca 0.09 0.12 0.13 0.00 -0.16 0.00 0.00 57.16 57.34 2heq n GLU 54 Cb 0.53 -1.50 0.37 0.00 1.43 0.00 0.00 31.44 32.28 2heq n GLU 54 CO 0.00 0.00 0.00 1.79 -0.16 0.00 0.00 177.13 178.76 2heq h THR 55 N 0.00 0.12 0.00 3.84 1.35 -1.91 -3.47 112.91 112.85 2heq h THR 55 Ca 0.00 -0.93 0.00 0.00 -0.55 0.00 0.00 66.41 64.93 2heq h THR 55 Cb 0.28 1.83 0.00 0.00 -1.73 0.00 0.00 68.15 68.53 2heq h THR 55 CO 0.00 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 175.94 2heq n GLY 56 N 0.63 0.56 3.84 5.82 0.00 0.05 -5.09 105.19 111.01 2heq n GLY 56 Ca 0.02 0.00 -0.35 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 -2.14 6.87 -0.46 1.61 1.01 -1.25 -4.78 116.67 117.53 2heq s ASP 57 Ca 0.00 1.20 -0.11 0.00 0.71 0.00 0.00 52.55 54.35 2heq s ASP 57 Cb 0.00 -2.34 0.09 0.00 1.01 0.00 0.00 42.92 41.69 2heq s ASP 57 CO 0.00 0.00 0.33 -0.63 0.21 0.00 0.00 175.17 175.09 2heq s ILE 58 N -1.62 4.54 0.03 0.77 1.01 -1.26 0.03 121.20 124.69 2heq s ILE 58 Ca 0.44 -1.44 0.06 0.00 0.00 0.00 0.00 60.65 59.71 2heq s ILE 58 Cb -0.14 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.47 2heq s ILE 58 CO 0.20 -0.63 -0.15 -0.89 0.00 0.00 0.00 174.94 173.46 2heq s THR 59 N 1.47 2.98 -0.06 2.92 2.01 0.07 -4.91 115.64 120.11 2heq s THR 59 Ca 0.04 -1.07 -0.20 0.00 0.31 0.00 0.00 61.69 60.77 2heq s THR 59 Cb -0.25 -2.25 -0.04 0.00 0.01 0.00 0.00 72.50 69.96 2heq s THR 59 CO 0.02 0.37 0.57 -0.31 -0.69 0.00 0.00 174.62 174.58 2heq s TYR 60 N -0.92 3.59 0.35 4.92 2.02 -1.26 -0.53 117.35 125.52 2heq s TYR 60 Ca 0.15 1.08 0.05 0.00 -0.37 0.00 0.00 57.07 57.98 2heq s TYR 60 Cb -0.11 -2.62 -0.03 0.00 -0.40 0.00 0.00 41.96 38.80 2heq s TYR 60 CO 0.05 0.23 0.21 -0.06 -1.57 0.00 0.00 175.55 174.41 2heq s PHE 61 N 0.34 1.72 0.27 2.71 0.08 0.23 -4.96 117.98 118.37 2heq s PHE 61 Ca 0.30 -1.50 0.09 0.00 0.12 0.00 0.00 56.93 55.95 2heq s PHE 61 Cb -0.17 -0.87 -0.05 0.00 -0.57 0.00 0.00 43.02 41.35 2heq s PHE 61 CO 0.15 -0.63 -0.13 0.21 -0.10 0.00 0.00 175.22 174.71 2heq s LYS 62 N -3.61 1.57 0.42 0.44 2.20 -1.26 -1.39 119.74 118.11 2heq s LYS 62 Ca 0.34 -1.75 0.21 0.00 -0.36 0.00 0.00 55.97 54.41 2heq s LYS 62 Cb 0.03 -1.42 1.17 0.00 -1.51 0.00 0.00 37.83 36.09 2heq s LYS 62 CO 0.21 0.19 1.78 1.49 -0.36 0.00 0.00 175.35 178.66 2heq h GLU 63 N 2.31 0.32 -0.33 4.03 4.81 -1.91 -2.91 114.58 120.90 2heq h GLU 63 Ca -0.40 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 58.77 2heq h GLU 63 Cb 1.24 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.54 2heq h GLU 63 CO 0.64 0.21 0.04 1.25 -0.73 0.00 0.00 179.01 180.42 2heq h HIS 64 N 0.33 0.61 -0.10 0.92 2.76 -1.95 -2.95 115.15 114.76 2heq h HIS 64 Ca 0.59 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.67 2heq h HIS 64 Cb 1.61 -0.16 0.00 0.00 1.55 0.00 0.00 27.41 30.41 2heq h HIS 64 CO -0.00 0.65 0.00 -0.85 -1.30 0.00 0.00 177.93 176.43 2heq n GLU 65 N -4.57 1.82 -4.36 5.26 0.00 -1.11 -4.87 120.64 112.82 2heq n GLU 65 Ca -0.02 -1.21 -0.34 0.00 0.00 0.00 0.00 57.16 55.59 2heq n GLU 65 Cb 0.23 -1.45 -0.11 0.00 0.00 0.00 0.00 31.44 30.12 2heq n GLU 65 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.13 176.62 2heq s LEU 66 N -1.81 3.43 -0.19 -1.84 1.43 -1.12 -1.32 118.68 117.26 2heq s LEU 66 Ca 0.35 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.46 2heq s LEU 66 Cb 0.20 -1.81 0.03 0.00 0.03 0.00 0.00 46.19 44.64 2heq s LEU 66 CO 0.30 0.26 -0.15 -0.89 0.23 0.00 0.00 176.35 176.10 2heq s THR 67 N -0.15 1.90 0.34 5.49 2.01 -0.71 -4.93 115.64 119.58 2heq s THR 67 Ca 0.04 -1.04 -0.28 0.00 0.31 0.00 0.00 61.69 60.73 2heq s THR 67 Cb -0.13 -1.84 -0.09 0.00 0.01 0.00 0.00 72.50 70.45 2heq s THR 67 CO 0.02 0.33 1.16 -2.16 -0.69 0.00 0.00 174.62 173.28 2heq s PRO 68 N 1.31 4.36 -1.02 4.92 0.04 -1.26 -0.64 135.00 142.72 2heq s PRO 68 Ca 0.01 1.87 -0.19 0.00 0.04 0.00 0.00 61.00 62.73 2heq s PRO 68 Cb -0.15 -2.95 0.11 0.00 0.04 0.00 0.00 34.50 31.55 2heq s PRO 68 CO -0.10 -0.06 1.29 -0.51 0.04 0.00 0.00 177.00 177.67 2heq s LEU 69 N -1.94 4.61 -0.00 -3.56 1.43 0.11 -4.70 118.68 114.64 2heq s LEU 69 Ca 0.50 -2.09 0.22 0.00 -1.03 0.00 0.00 54.13 51.73 2heq s LEU 69 Cb -0.32 -2.45 -0.28 0.00 0.03 0.00 0.00 46.19 43.17 2heq s LEU 69 CO 0.41 -1.12 0.61 1.17 0.23 0.00 0.00 176.35 177.66 2heq n LYS 70 N 7.06 0.55 -2.59 1.70 4.81 -1.26 -4.36 118.16 124.06 2heq n LYS 70 Ca 0.30 -0.14 -0.42 0.00 -0.87 0.00 0.00 58.31 57.19 2heq n LYS 70 Cb 0.48 -1.55 -0.03 0.00 0.02 0.00 0.00 35.03 33.96 2heq n LYS 70 CO 0.00 0.00 0.00 0.20 1.17 0.00 0.00 177.40 178.77 2heq s GLY 71 N -4.27 1.03 0.00 3.14 0.00 -1.26 -3.28 107.32 102.69 2heq s GLY 71 Ca -0.05 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.49 2heq s GLY 71 CO 0.89 2.53 0.00 0.61 0.00 0.00 0.00 173.10 177.13 2heq n GLY 72 N 5.24 2.97 0.17 0.20 0.00 -1.26 -4.76 105.19 107.75 2heq n GLY 72 Ca 0.05 -0.78 0.13 0.00 0.00 0.00 0.00 46.02 45.42 2heq n GLY 72 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2heq h LEU 73 N 0.00 0.00 -3.56 0.99 4.07 -1.76 -1.74 115.31 113.31 2heq h LEU 73 Ca 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 57.88 57.68 2heq h LEU 73 Cb 0.00 0.00 -0.17 0.00 1.08 0.00 0.00 40.66 41.57 2heq h LEU 73 CO 0.00 0.00 0.15 0.00 -1.08 0.00 0.00 178.44 177.51 2heq n ALA 74 N -1.86 4.68 -3.22 1.53 0.00 -1.20 -4.75 120.51 115.69 2heq n ALA 74 Ca 0.02 -3.02 -0.17 0.00 0.00 0.00 0.00 53.44 50.26 2heq n ALA 74 Cb 0.26 -0.97 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 2heq n ALA 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2heq s TYR 75 N -3.25 -0.12 0.06 0.00 5.04 -0.65 -5.04 117.35 113.38 2heq s TYR 75 Ca 0.49 -1.32 -0.14 0.00 -2.44 0.00 0.00 57.07 53.66 2heq s TYR 75 Cb 0.43 -0.41 -0.06 0.00 0.35 0.00 0.00 41.96 42.27 2heq s TYR 75 CO 0.04 -1.00 0.46 0.08 -1.34 0.00 0.00 175.55 173.79 2heq s VAL 76 N 0.78 4.97 -0.54 3.14 1.01 -1.26 -4.86 120.40 123.64 2heq s VAL 76 Ca 0.26 0.78 -0.27 0.00 0.00 0.00 0.00 61.98 62.76 2heq s VAL 76 Cb -0.04 -3.72 -0.03 0.00 0.00 0.00 0.00 36.38 32.58 2heq s VAL 76 CO -0.09 0.43 1.94 -0.76 0.00 0.00 0.00 175.10 176.61 2heq s LEU 77 N -1.49 3.35 -0.42 3.92 1.43 -1.26 -4.94 118.68 119.27 2heq s LEU 77 Ca 0.30 0.63 -0.23 0.00 -1.03 0.00 0.00 54.13 53.79 2heq s LEU 77 Cb -0.16 -2.70 0.02 0.00 0.03 0.00 0.00 46.19 43.38 2heq s LEU 77 CO 0.17 -2.34 0.81 -0.70 0.23 0.00 0.00 176.35 174.51 2heq s GLU 78 N 7.00 3.56 -0.08 1.70 2.56 -1.26 -4.93 118.70 127.24 2heq s GLU 78 Ca 0.74 0.10 -0.09 0.00 0.00 0.00 0.00 54.97 55.73 2heq s GLU 78 Cb -0.15 -3.89 -0.03 0.00 2.00 0.00 0.00 34.13 32.06 2heq s GLU 78 CO 0.24 -1.03 -0.17 0.72 -0.56 0.00 0.00 175.26 174.46 2heq n HIS 79 N 6.67 0.00 1.92 5.30 8.25 -1.26 -4.05 115.22 132.05 2heq n HIS 79 Ca 0.03 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.58 2heq n HIS 79 Cb 0.48 -0.24 0.53 0.00 1.12 0.00 0.00 29.99 31.88 2heq n HIS 79 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2heq n HIS 80 N -3.50 0.00 0.62 4.41 8.25 -1.26 -0.96 115.22 122.78 2heq n HIS 80 Ca -0.07 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.46 2heq n HIS 80 Cb 0.25 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.37 2heq n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2heq n HIS 81 N -0.79 0.00 -2.82 4.41 -0.00 -1.26 -4.91 115.22 109.84 2heq n HIS 81 Ca 0.13 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.42 2heq n HIS 81 Cb 0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 29.99 30.01 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 -1.62 2.81 -0.66 4.41 5.04 -0.14 -4.97 115.29 120.16 2heq s HIS 82 Ca 0.13 0.07 0.04 0.00 -1.54 0.00 0.00 55.06 53.76 2heq s HIS 82 Cb 0.11 -4.08 0.16 0.00 0.04 0.00 0.00 32.58 28.82 2heq s HIS 82 CO 0.32 -1.32 0.45 -1.01 -2.34 0.00 0.00 174.74 170.84 2heq s HIS 83 N 3.96 3.48 0.00 3.88 3.76 -1.26 -4.98 115.29 124.13 2heq s HIS 83 Ca 0.32 -3.23 0.00 0.00 -0.15 0.00 0.00 55.06 52.00 2heq s HIS 83 Cb -0.12 -2.82 0.00 0.00 1.11 0.00 0.00 32.58 30.75 2heq s HIS 83 CO 0.21 -0.64 0.00 1.58 -0.85 0.00 0.00 174.74 175.04