#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jov n HIS 2 N 0.00 0.00 -4.23 2.03 -0.00 -1.26 -5.13 115.22 106.63 2jov n HIS 2 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.59 2jov n HIS 2 Cb 0.00 0.04 -0.10 0.00 -0.00 0.00 0.00 29.99 29.93 2jov n HIS 2 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.34 176.49 2jov s LYS 3 N -0.85 1.05 0.04 -0.41 1.02 -1.26 -4.90 119.74 114.43 2jov s LYS 3 Ca 0.00 -1.49 0.07 0.00 0.02 0.00 0.00 55.97 54.57 2jov s LYS 3 Cb 0.00 -0.28 -0.03 0.00 -0.52 0.00 0.00 37.83 36.99 2jov s LYS 3 CO 0.00 -0.09 -0.16 0.34 -0.92 0.00 0.00 175.35 174.52 2jov s ASP 4 N -3.15 3.94 -0.05 2.83 -1.08 0.12 -4.67 116.67 114.61 2jov s ASP 4 Ca 0.21 -0.39 -0.30 0.00 -0.52 0.00 0.00 52.55 51.55 2jov s ASP 4 Cb 0.06 -0.68 -0.06 0.00 -1.46 0.00 0.00 42.92 40.78 2jov s ASP 4 CO 0.02 0.25 1.69 -0.63 0.52 0.00 0.00 175.17 177.02 2jov s ILE 5 N -0.96 3.53 0.14 4.11 -1.09 -1.26 -0.15 121.20 125.52 2jov s ILE 5 Ca 0.15 0.64 -0.31 0.00 -2.23 0.00 0.00 60.65 58.90 2jov s ILE 5 Cb -0.11 -3.42 -0.11 0.00 -1.58 0.00 0.00 42.46 37.25 2jov s ILE 5 CO 0.06 -0.06 1.83 0.12 -1.23 0.00 0.00 174.94 175.66 2jov s PHE 6 N 4.15 2.20 -0.11 3.97 5.36 -1.26 -4.84 117.98 127.46 2jov s PHE 6 Ca 0.75 -0.01 -0.04 0.00 -0.96 0.00 0.00 56.93 56.67 2jov s PHE 6 Cb -0.34 -4.19 0.06 0.00 -0.34 0.00 0.00 43.02 38.21 2jov s PHE 6 CO 0.31 -4.89 0.21 0.99 -1.46 0.00 0.00 175.22 170.38 2jov s THR 7 N 2.59 -0.33 0.34 0.12 2.01 -1.26 -0.38 115.64 118.74 2jov s THR 7 Ca 0.81 0.31 -0.03 0.00 0.31 0.00 0.00 61.69 63.09 2jov s THR 7 Cb -0.47 -0.37 0.00 0.00 0.01 0.00 0.00 72.50 71.68 2jov s THR 7 CO 0.36 0.13 0.48 -0.55 -0.69 0.00 0.00 174.62 174.35 2jov s SER 8 N 2.31 0.88 -0.19 3.53 0.15 0.02 -4.98 113.70 115.41 2jov s SER 8 Ca 0.02 -1.47 -0.01 0.00 0.70 0.00 0.00 55.95 55.19 2jov s SER 8 Cb -0.12 0.66 0.00 0.00 -1.71 0.00 0.00 66.02 64.86 2jov s SER 8 CO -0.07 -1.30 -0.12 -0.69 1.20 0.00 0.00 173.24 172.26 2jov s VAL 9 N -3.07 2.78 0.11 4.45 1.01 -1.26 -0.45 120.40 123.98 2jov s VAL 9 Ca 0.30 -0.70 0.07 0.00 0.00 0.00 0.00 61.98 61.65 2jov s VAL 9 Cb -0.00 -2.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 2jov s VAL 9 CO 0.20 0.48 -0.09 0.54 0.00 0.00 0.00 175.10 176.23 2jov s VAL 10 N 1.29 3.40 0.13 2.92 0.11 -0.79 -4.91 120.40 122.55 2jov s VAL 10 Ca 0.04 -1.30 -0.30 0.00 -2.93 0.00 0.00 61.98 57.49 2jov s VAL 10 Cb -0.14 -2.61 -0.06 0.00 -1.53 0.00 0.00 36.38 32.04 2jov s VAL 10 CO -0.06 0.08 1.05 -0.13 -3.33 0.00 0.00 175.10 172.71 2jov s ARG 11 N -2.31 4.61 -0.30 1.54 0.52 -1.26 -1.37 118.95 120.38 2jov s ARG 11 Ca 0.22 1.61 -0.03 0.00 -0.52 0.00 0.00 55.73 57.01 2jov s ARG 11 Cb -0.11 -3.33 0.04 0.00 0.52 0.00 0.00 34.95 32.07 2jov s ARG 11 CO 0.14 0.08 0.02 0.08 0.02 0.00 0.00 175.30 175.65 2jov s VAL 12 N 0.05 3.27 -0.61 3.52 1.01 -0.28 -1.11 120.40 126.24 2jov s VAL 12 Ca 0.50 -1.17 -0.21 0.00 0.00 0.00 0.00 61.98 61.10 2jov s VAL 12 Cb -0.27 -2.80 0.08 0.00 0.00 0.00 0.00 36.38 33.39 2jov s VAL 12 CO 0.32 -0.04 0.84 -0.60 0.00 0.00 0.00 175.10 175.62 2jov s ARG 13 N 1.33 3.10 0.00 2.72 6.06 0.13 -4.69 118.95 127.61 2jov s ARG 13 Ca -0.02 -0.97 0.00 0.00 -2.50 0.00 0.00 55.73 52.24 2jov s ARG 13 Cb -0.19 -4.22 0.00 0.00 0.06 0.00 0.00 34.95 30.60 2jov s ARG 13 CO -0.00 -1.65 0.00 0.41 -2.50 0.00 0.00 175.30 171.56 2jov n GLY 14 N 5.28 2.53 3.49 8.12 0.00 -1.26 -4.33 105.19 119.02 2jov n GLY 14 Ca -0.06 -0.90 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 2jov n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jov s SER 15 N 0.00 6.17 -0.29 1.61 0.15 -1.26 -4.74 113.70 115.34 2jov s SER 15 Ca 0.00 -0.80 0.18 0.00 0.70 0.00 0.00 55.95 56.03 2jov s SER 15 Cb 0.00 -2.47 0.46 0.00 -1.71 0.00 0.00 66.02 62.29 2jov s SER 15 CO 0.00 -1.59 1.32 2.29 1.20 0.00 0.00 173.24 176.46 2jov n LYS 16 N 8.33 1.52 0.00 5.44 -0.00 -1.26 -4.76 118.16 127.43 2jov n LYS 16 Ca -0.01 -2.39 0.00 0.00 -0.00 0.00 0.00 58.31 55.91 2jov n LYS 16 Cb 0.47 -0.61 0.00 0.00 -0.00 0.00 0.00 35.03 34.88 2jov n LYS 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2jov n LYS 17 N -1.03 0.00 -1.27 -1.58 4.81 -1.25 -4.19 118.16 113.65 2jov n LYS 17 Ca -0.05 0.00 -0.27 0.00 -0.87 0.00 0.00 58.31 57.11 2jov n LYS 17 Cb 0.84 0.00 0.22 0.00 0.02 0.00 0.00 35.03 36.11 2jov n LYS 17 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 2jov n TYR 18 N 0.00 -3.90 0.00 5.64 4.01 -1.26 -5.04 117.16 116.61 2jov n TYR 18 Ca 0.00 -0.98 0.00 0.00 -0.16 0.00 0.00 57.90 56.76 2jov n TYR 18 Cb 0.00 -1.01 0.00 0.00 -0.31 0.00 0.00 39.34 38.02 2jov n TYR 18 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2jov n ASN 19 N -4.37 2.61 -4.29 7.72 0.23 -1.26 -4.94 115.26 110.96 2jov n ASN 19 Ca 0.15 0.00 -0.17 0.00 -0.53 0.00 0.00 54.58 54.03 2jov n ASN 19 Cb 0.54 0.11 -0.10 0.00 -2.08 0.00 0.00 39.78 38.25 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 2jov s VAL 20 N -1.60 1.44 -0.05 3.53 -7.23 -1.26 -1.12 120.40 114.11 2jov s VAL 20 Ca 0.00 -2.06 0.03 0.00 -1.81 0.00 0.00 61.98 58.14 2jov s VAL 20 Cb 0.00 -1.87 0.00 0.00 0.56 0.00 0.00 36.38 35.07 2jov s VAL 20 CO 0.00 -0.62 -0.13 0.54 -0.31 0.00 0.00 175.10 174.58 2jov s VAL 21 N -2.95 1.15 -0.17 1.32 0.11 -0.47 -4.88 120.40 114.50 2jov s VAL 21 Ca 0.18 -0.53 -0.29 0.00 -2.93 0.00 0.00 61.98 58.40 2jov s VAL 21 Cb -0.00 -1.02 -0.02 0.00 -1.53 0.00 0.00 36.38 33.81 2jov s VAL 21 CO 0.04 0.35 1.39 -2.16 -3.33 0.00 0.00 175.10 171.38 2jov s PRO 22 N 0.32 4.13 0.11 1.54 0.04 -1.26 -1.88 135.00 138.01 2jov s PRO 22 Ca -0.08 1.72 0.07 0.00 0.04 0.00 0.00 61.00 62.75 2jov s PRO 22 Cb -0.12 -3.86 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 2jov s PRO 22 CO 0.02 -0.86 -0.08 0.14 0.04 0.00 0.00 177.00 176.26 2jov s VAL 23 N 3.92 3.44 0.24 -0.36 -7.23 0.41 -2.74 120.40 118.07 2jov s VAL 23 Ca 0.61 -1.28 0.01 0.00 -1.81 0.00 0.00 61.98 59.50 2jov s VAL 23 Cb -0.24 -2.63 -0.05 0.00 0.56 0.00 0.00 36.38 34.03 2jov s VAL 23 CO 0.20 0.08 0.12 -1.59 -0.31 0.00 0.00 175.10 173.60 2jov s LYS 24 N -2.31 1.36 0.19 4.82 -2.85 0.60 -0.80 119.74 120.75 2jov s LYS 24 Ca 0.22 -1.73 0.07 0.00 -1.00 0.00 0.00 55.97 53.53 2jov s LYS 24 Cb -0.11 -0.04 -0.04 0.00 -2.06 0.00 0.00 37.83 35.58 2jov s LYS 24 CO 0.15 -0.35 0.05 0.45 0.10 0.00 0.00 175.35 175.74 2jov s SER 25 N -3.26 4.98 0.13 0.03 0.15 0.49 -0.20 113.70 116.01 2jov s SER 25 Ca 0.38 -0.35 0.01 0.00 0.70 0.00 0.00 55.95 56.70 2jov s SER 25 Cb 0.07 -1.13 -0.13 0.00 -1.71 0.00 0.00 66.02 63.12 2jov s SER 25 CO 0.14 0.06 1.29 -0.55 1.20 0.00 0.00 173.24 175.38 2jov h ASN 26 N 2.45 0.25 -3.92 5.45 -1.07 -1.84 -3.44 115.58 113.46 2jov h ASN 26 Ca -0.47 -0.24 -0.62 0.00 0.07 0.00 0.00 56.30 55.05 2jov h ASN 26 Cb 1.21 -0.08 -0.21 0.00 -2.07 0.00 0.00 38.32 37.17 2jov h ASN 26 CO 0.60 1.11 -0.84 -0.54 0.07 0.00 0.00 177.43 177.83 2jov s LYS 27 N -2.94 1.28 0.29 4.14 1.02 -1.26 -5.06 119.74 117.21 2jov s LYS 27 Ca -0.02 -1.29 -0.29 0.00 0.02 0.00 0.00 55.97 54.38 2jov s LYS 27 Cb 0.09 -1.63 -0.10 0.00 -0.52 0.00 0.00 37.83 35.67 2jov s LYS 27 CO 0.84 0.38 1.44 -2.14 -0.92 0.00 0.00 175.35 174.94 2jov s PRO 28 N -2.12 4.25 0.11 -1.68 0.02 -1.26 -4.51 135.00 129.80 2jov s PRO 28 Ca 0.12 2.36 0.08 0.00 0.02 0.00 0.00 61.00 63.58 2jov s PRO 28 Cb -0.09 -3.07 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 2jov s PRO 28 CO 0.06 -0.41 -0.21 0.08 -0.33 0.00 0.00 177.00 176.18 2jov s VAL 29 N -0.43 1.77 0.45 3.83 1.01 0.78 -4.81 120.40 123.01 2jov s VAL 29 Ca 0.56 -1.58 -0.24 0.00 0.00 0.00 0.00 61.98 60.73 2jov s VAL 29 Cb -0.43 -1.61 -0.08 0.00 0.00 0.00 0.00 36.38 34.26 2jov s VAL 29 CO 0.49 -0.05 1.18 -1.83 0.00 0.00 0.00 175.10 174.88 2jov s GLU 30 N -1.96 3.82 0.55 2.72 1.03 -1.26 0.13 118.70 123.74 2jov s GLU 30 Ca 0.07 1.82 0.24 0.00 0.03 0.00 0.00 54.97 57.13 2jov s GLU 30 Cb -0.10 -2.48 1.56 0.00 -0.80 0.00 0.00 34.13 32.31 2jov s GLU 30 CO 0.04 -0.51 2.20 0.97 -1.33 0.00 0.00 175.26 176.63 2jov h ILE 31 N 1.99 0.74 0.00 1.83 2.10 -1.91 0.15 117.51 122.40 2jov h ILE 31 Ca -0.49 -0.05 -0.05 0.00 1.08 0.00 0.00 64.86 65.34 2jov h ILE 31 Cb 1.25 1.03 -0.01 0.00 -1.09 0.00 0.00 36.82 38.00 2jov h ILE 31 CO 0.61 0.01 -0.26 0.77 -1.08 0.00 0.00 178.15 178.20 2jov h SER 32 N 0.00 0.00 0.95 2.19 4.64 -2.01 -2.35 113.55 116.97 2jov h SER 32 Ca -0.00 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.30 2jov h SER 32 Cb 0.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2jov h SER 32 CO 0.00 0.26 -1.06 0.29 -0.87 0.00 0.00 176.83 175.45 2jov n LYS 33 N -3.94 0.61 -0.25 4.77 4.76 0.45 -3.07 118.16 121.49 2jov n LYS 33 Ca -0.02 0.13 -0.02 0.00 -2.87 0.00 0.00 58.31 55.54 2jov n LYS 33 Cb 0.34 -1.82 0.10 0.00 -1.84 0.00 0.00 35.03 31.80 2jov n LYS 33 CO 0.00 0.00 0.00 2.35 -1.37 0.00 0.00 177.40 178.38 2jov h TRP 34 N 0.00 0.79 -0.24 2.13 7.01 -0.79 0.24 115.95 125.09 2jov h TRP 34 Ca -0.02 0.02 -0.05 0.00 2.11 0.00 0.00 58.89 60.95 2jov h TRP 34 Cb 1.07 -0.25 -0.01 0.00 -2.10 0.00 0.00 29.16 27.87 2jov h TRP 34 CO 0.00 0.41 -0.06 0.82 -2.79 0.00 0.00 178.44 176.83 2jov h ILE 35 N 0.80 1.28 -0.45 2.65 2.04 -1.60 -2.31 117.51 119.92 2jov h ILE 35 Ca 0.31 -1.05 0.02 0.00 1.00 0.00 0.00 64.86 65.13 2jov h ILE 35 Cb 0.12 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 37.66 2jov h ILE 35 CO -0.15 0.33 0.27 -0.78 0.00 0.00 0.00 178.15 177.82 2jov h ASP 36 N 0.20 0.44 -0.30 1.72 3.58 -1.35 0.52 116.42 121.23 2jov h ASP 36 Ca 0.06 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.40 2jov h ASP 36 Cb 0.52 -0.09 -0.01 0.00 1.72 0.00 0.00 39.33 41.46 2jov h ASP 36 CO 0.02 0.31 -0.20 -0.26 -2.88 0.00 0.00 179.24 176.24 2jov h PHE 37 N 0.55 0.87 -0.27 0.28 0.04 -0.57 -2.37 116.94 115.47 2jov h PHE 37 Ca 0.18 -0.19 -0.05 0.00 2.80 0.00 0.00 57.97 60.71 2jov h PHE 37 Cb 0.01 -0.21 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 2jov h PHE 37 CO -0.07 0.91 -0.07 0.77 -0.60 0.00 0.00 178.31 179.25 2jov h SER 38 N 0.68 0.40 -0.85 2.17 0.02 -0.81 -0.58 113.55 114.59 2jov h SER 38 Ca 0.10 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.94 2jov h SER 38 Cb 0.70 -0.11 -0.04 0.00 0.14 0.00 0.00 62.40 63.10 2jov h SER 38 CO 0.05 0.52 0.42 0.78 -1.14 0.00 0.00 176.83 177.47 2jov h ASN 39 N 0.41 1.10 -0.40 3.07 2.35 -0.45 -1.24 115.58 120.42 2jov h ASN 39 Ca 0.08 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.66 2jov h ASN 39 Cb 0.38 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2jov h ASN 39 CO 0.02 0.92 0.08 0.58 -1.65 0.00 0.00 177.43 177.37 2jov h VAL 40 N 1.21 1.24 0.00 2.81 2.07 -0.83 -2.61 116.25 120.14 2jov h VAL 40 Ca 0.29 -0.84 -0.01 0.00 0.82 0.00 0.00 66.70 66.97 2jov h VAL 40 Cb 0.10 1.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 2jov h VAL 40 CO -0.04 0.29 -0.05 -0.07 0.02 0.00 0.00 177.57 177.72 2jov h LEU 41 N 0.50 0.00 -0.35 2.57 3.38 -0.78 -1.55 115.31 119.08 2jov h LEU 41 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2jov h LEU 41 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2jov h LEU 41 CO 0.01 0.05 0.00 -1.20 0.09 0.00 0.00 178.44 177.38 2jov n SER 42 N -3.31 0.55 -0.42 -0.43 7.64 -0.50 -1.84 113.62 115.31 2jov n SER 42 Ca -0.01 0.60 0.05 0.00 1.01 0.00 0.00 58.87 60.52 2jov n SER 42 Cb 0.21 -0.73 0.05 0.00 -1.01 0.00 0.00 64.21 62.73 2jov n SER 42 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jov n ARG 43 N -2.07 0.71 -4.42 1.43 1.85 -0.61 -5.01 116.66 108.54 2jov n ARG 43 Ca 0.04 -1.21 -0.34 0.00 -1.00 0.00 0.00 57.85 55.34 2jov n ARG 43 Cb 0.28 -1.20 -0.11 0.00 -1.05 0.00 0.00 32.46 30.38 2jov n ARG 43 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 2jov s LEU 44 N -0.86 3.31 -0.26 2.89 0.20 -0.76 -5.08 118.68 118.12 2jov s LEU 44 Ca 0.13 -0.06 0.03 0.00 0.69 0.00 0.00 54.13 54.92 2jov s LEU 44 Cb 0.09 -1.78 0.06 0.00 -0.43 0.00 0.00 46.19 44.13 2jov s LEU 44 CO 0.13 0.23 -0.11 -0.31 -0.29 0.00 0.00 176.35 176.00 2jov s TYR 45 N -0.01 3.26 -0.05 5.38 1.51 -1.26 -4.09 117.35 122.09 2jov s TYR 45 Ca 0.01 -2.31 -0.30 0.00 -1.01 0.00 0.00 57.07 53.46 2jov s TYR 45 Cb -0.13 -1.93 -0.03 0.00 -0.11 0.00 0.00 41.96 39.76 2jov s TYR 45 CO 0.03 -0.88 1.08 0.08 -1.11 0.00 0.00 175.55 174.75 2jov s VAL 46 N 1.11 4.56 -0.25 0.71 1.01 -0.27 -4.73 120.40 122.54 2jov s VAL 46 Ca -0.09 1.85 0.09 0.00 0.00 0.00 0.00 61.98 63.83 2jov s VAL 46 Cb -0.20 -4.19 0.45 0.00 0.00 0.00 0.00 36.38 32.44 2jov s VAL 46 CO -0.05 0.04 1.29 0.61 0.00 0.00 0.00 175.10 176.99 2jov n GLY 47 N 3.15 5.33 2.90 4.51 0.00 -1.26 0.22 105.19 120.04 2jov n GLY 47 Ca 0.09 -1.55 -0.29 0.00 0.00 0.00 0.00 46.02 44.26 2jov n GLY 47 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jov s VAL 48 N -3.52 1.27 -0.61 1.61 1.01 -1.26 -4.92 120.40 113.99 2jov s VAL 48 Ca 0.42 -0.92 -0.27 0.00 0.00 0.00 0.00 61.98 61.21 2jov s VAL 48 Cb 0.39 -1.52 0.01 0.00 0.00 0.00 0.00 36.38 35.25 2jov s VAL 48 CO -0.03 -0.01 1.50 -2.84 0.00 0.00 0.00 175.10 173.71 2jov s PRO 49 N 1.53 3.13 0.40 2.72 0.02 -1.26 -4.97 135.00 136.57 2jov s PRO 49 Ca -0.03 0.36 0.02 0.00 0.02 0.00 0.00 61.00 61.38 2jov s PRO 49 Cb -0.17 -4.20 -0.01 0.00 0.02 0.00 0.00 34.50 30.14 2jov s PRO 49 CO -0.07 -2.16 0.08 0.25 -0.33 0.00 0.00 177.00 174.77 2jov n THR 50 N 6.85 0.00 -2.27 0.99 -2.24 -1.26 -4.80 114.28 111.55 2jov n THR 50 Ca 0.12 -2.14 -0.21 0.00 -2.27 0.00 0.00 64.05 59.55 2jov n THR 50 Cb 0.50 0.64 0.13 0.00 -2.10 0.00 0.00 70.33 69.50 2jov n THR 50 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2jov n LYS 51 N -0.94 -0.40 -2.50 -0.78 2.85 -1.26 -0.59 118.16 114.53 2jov n LYS 51 Ca -0.10 -2.10 -0.40 0.00 -1.05 0.00 0.00 58.31 54.66 2jov n LYS 51 Cb 0.56 -0.78 -0.04 0.00 -0.65 0.00 0.00 35.03 34.12 2jov n LYS 51 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 2jov s SER 52 N -4.69 7.29 0.00 -5.58 1.04 -1.26 -3.63 113.70 106.88 2jov s SER 52 Ca 0.59 2.24 0.00 0.00 0.48 0.00 0.00 55.95 59.26 2jov s SER 52 Cb -0.03 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.47 2jov s SER 52 CO 0.40 -0.12 0.00 0.61 0.98 0.00 0.00 173.24 175.11 2jov n GLY 53 N 1.20 0.91 3.71 7.32 0.00 0.88 -4.95 105.19 114.25 2jov n GLY 53 Ca -0.01 -0.57 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 2jov n GLY 53 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jov s ASN 54 N -2.68 6.38 -0.23 1.61 2.20 -1.01 -4.88 114.94 116.33 2jov s ASN 54 Ca 0.00 0.44 -0.26 0.00 -0.94 0.00 0.00 52.86 52.09 2jov s ASN 54 Cb 0.00 -2.18 -0.00 0.00 -2.00 0.00 0.00 41.25 37.07 2jov s ASN 54 CO 0.00 0.06 0.90 -0.69 -2.94 0.00 0.00 177.10 174.44 2jov s VAL 55 N 0.72 4.79 -0.10 3.54 1.01 -1.26 -0.87 120.40 128.22 2jov s VAL 55 Ca 0.15 1.74 -0.02 0.00 0.00 0.00 0.00 61.98 63.85 2jov s VAL 55 Cb -0.13 -4.19 -0.01 0.00 0.00 0.00 0.00 36.38 32.05 2jov s VAL 55 CO 0.04 -0.10 -0.05 0.58 0.00 0.00 0.00 175.10 175.58 2jov h VAL 56 N 5.40 0.00 -3.23 2.92 2.07 -1.29 -3.47 116.25 118.66 2jov h VAL 56 Ca -0.23 -0.87 -0.51 0.00 0.82 0.00 0.00 66.70 65.92 2jov h VAL 56 Cb 1.09 0.00 -0.37 0.00 -1.52 0.00 0.00 31.29 30.49 2jov h VAL 56 CO 0.90 0.00 -0.80 0.00 0.02 0.00 0.00 177.57 177.70 2jov s LYS 58 N 1.62 4.13 -0.87 0.00 2.20 -1.26 -2.72 119.74 122.85 2jov s LYS 58 Ca 0.02 0.50 -0.03 0.00 -0.36 0.00 0.00 55.97 56.11 2jov s LYS 58 Cb -0.13 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.86 2jov s LYS 58 CO -0.06 0.49 0.75 0.09 -0.36 0.00 0.00 175.35 176.26 2jov n ASN 59 N 2.44 -4.40 -4.69 1.43 4.13 0.13 -4.92 115.26 109.38 2jov n ASN 59 Ca -0.11 -0.53 -0.42 0.00 1.68 0.00 0.00 54.58 55.20 2jov n ASN 59 Cb 0.52 -4.19 -0.03 0.00 -1.54 0.00 0.00 39.78 34.54 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 0.28 0.00 0.00 177.26 177.03 2jov s ILE 60 N -3.30 3.54 -1.60 2.41 2.07 -1.23 -0.87 121.20 122.22 2jov s ILE 60 Ca 0.24 0.96 0.00 0.00 -1.41 0.00 0.00 60.65 60.43 2jov s ILE 60 Cb -0.03 -3.62 0.00 0.00 0.13 0.00 0.00 42.46 38.94 2jov s ILE 60 CO 0.58 0.00 0.00 0.23 -1.91 0.00 0.00 174.94 173.84 2jov n MET 61 N 5.29 -1.20 -3.40 3.50 2.81 -1.26 -3.12 117.12 119.74 2jov n MET 61 Ca 0.14 0.97 -0.12 0.00 -1.81 0.00 0.00 57.70 56.87 2jov n MET 61 Cb 0.43 -5.24 0.00 0.00 -0.71 0.00 0.00 33.22 27.70 2jov n MET 61 CO 0.00 0.00 0.00 -1.71 1.51 0.00 0.00 175.97 175.77 2jov n ASN 62 N -0.82 -6.44 -0.03 7.83 5.15 -0.05 -4.96 115.26 115.93 2jov n ASN 62 Ca -0.18 -0.50 -0.04 0.00 -0.60 0.00 0.00 54.58 53.27 2jov n ASN 62 Cb 0.58 -3.69 -0.04 0.00 -0.53 0.00 0.00 39.78 36.10 2jov n ASN 62 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 2jov n THR 63 N -2.25 0.40 0.00 -0.44 -2.24 -1.18 -5.02 114.28 103.54 2jov n THR 63 Ca -0.14 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.44 2jov n THR 63 Cb 0.59 -0.80 0.00 0.00 -2.10 0.00 0.00 70.33 68.02 2jov n THR 63 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2jov n GLY 64 N 2.91 1.11 3.85 3.38 0.00 -1.26 -5.02 105.19 110.17 2jov n GLY 64 Ca -0.11 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.67 2jov n GLY 64 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jov s VAL 65 N -2.00 4.71 -0.09 1.61 0.11 -1.26 -4.73 120.40 118.76 2jov s VAL 65 Ca 0.00 -1.11 -0.01 0.00 -2.93 0.00 0.00 61.98 57.93 2jov s VAL 65 Cb 0.00 -3.48 -0.03 0.00 -1.53 0.00 0.00 36.38 31.34 2jov s VAL 65 CO 0.00 -0.22 -0.04 -1.81 -3.33 0.00 0.00 175.10 169.70 2jov s ASP 66 N -3.49 4.82 -0.25 3.54 1.11 -1.26 0.22 116.67 121.36 2jov s ASP 66 Ca 0.33 -0.00 -0.04 0.00 0.18 0.00 0.00 52.55 53.01 2jov s ASP 66 Cb -0.09 -1.37 0.01 0.00 1.07 0.00 0.00 42.92 42.53 2jov s ASP 66 CO 0.25 0.33 -0.01 -0.63 1.18 0.00 0.00 175.17 176.30 2jov s ILE 67 N -0.59 3.45 -0.04 0.77 -1.09 -1.10 -2.52 121.20 120.07 2jov s ILE 67 Ca 0.09 -0.68 0.05 0.00 -2.23 0.00 0.00 60.65 57.89 2jov s ILE 67 Cb -0.12 -2.68 -0.01 0.00 -1.58 0.00 0.00 42.46 38.07 2jov s ILE 67 CO 0.02 0.26 -0.20 0.27 -1.23 0.00 0.00 174.94 174.05 2jov s ILE 68 N 1.45 1.66 0.07 2.92 -4.36 0.71 -0.69 121.20 122.97 2jov s ILE 68 Ca 0.03 -0.86 -0.27 0.00 -0.26 0.00 0.00 60.65 59.29 2jov s ILE 68 Cb -0.16 -1.41 -0.06 0.00 1.25 0.00 0.00 42.46 42.09 2jov s ILE 68 CO -0.02 0.47 0.85 0.00 0.24 0.00 0.00 174.94 176.48 2jov n THR 70 N 2.80 0.39 -3.71 0.00 5.66 -1.11 -0.08 114.28 118.22 2jov n THR 70 Ca -0.00 -0.69 -0.35 0.00 -3.05 0.00 0.00 64.05 59.95 2jov n THR 70 Cb 0.50 0.96 -0.05 0.00 -1.55 0.00 0.00 70.33 70.18 2jov n THR 70 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 175.07 171.27 2jov s LYS 71 N -1.01 3.64 -0.24 1.09 2.47 -1.26 -4.52 119.74 119.90 2jov s LYS 71 Ca 0.19 0.02 -0.19 0.00 -1.56 0.00 0.00 55.97 54.43 2jov s LYS 71 Cb 0.11 -3.09 -0.02 0.00 -1.46 0.00 0.00 37.83 33.37 2jov s LYS 71 CO 0.16 0.65 0.57 -0.80 0.16 0.00 0.00 175.35 176.09 2jov s ASN 72 N -1.56 6.53 -0.38 1.43 0.02 -1.26 -4.26 114.94 115.46 2jov s ASN 72 Ca 0.27 0.65 -0.15 0.00 -1.02 0.00 0.00 52.86 52.60 2jov s ASN 72 Cb -0.14 -2.31 0.01 0.00 0.02 0.00 0.00 41.25 38.83 2jov s ASN 72 CO 0.15 -0.30 0.34 -0.76 0.02 0.00 0.00 177.10 176.56 2jov s LEU 73 N 2.22 4.77 -0.77 0.60 2.01 0.24 -4.98 118.68 122.77 2jov s LEU 73 Ca 0.24 -0.59 -0.22 0.00 0.01 0.00 0.00 54.13 53.58 2jov s LEU 73 Cb -0.16 -2.27 0.08 0.00 0.01 0.00 0.00 46.19 43.86 2jov s LEU 73 CO 0.09 -0.42 1.07 -2.16 1.01 0.00 0.00 176.35 175.93 2jov s PRO 74 N 1.90 3.29 -0.02 1.29 0.05 -1.26 -3.98 135.00 136.28 2jov s PRO 74 Ca 0.09 -1.09 -0.20 0.00 0.05 0.00 0.00 61.00 59.85 2jov s PRO 74 Cb -0.18 -4.51 -0.12 0.00 0.05 0.00 0.00 34.50 29.74 2jov s PRO 74 CO 0.12 -1.86 0.87 -0.22 0.05 0.00 0.00 177.00 175.96 2jov h LYS 75 N 9.41 -0.57 -4.75 4.56 3.64 -1.86 -3.34 116.57 123.65 2jov h LYS 75 Ca -0.12 0.04 -0.68 0.00 -1.27 0.00 0.00 60.65 58.61 2jov h LYS 75 Cb 1.05 0.13 -0.25 0.00 -0.41 0.00 0.00 32.23 32.75 2jov h LYS 75 CO 1.19 -0.30 -0.59 -0.51 -2.27 0.00 0.00 179.45 176.96 2jov s ASP 76 N -4.90 5.34 -1.25 4.20 1.11 -1.26 -4.52 116.67 115.39 2jov s ASP 76 Ca -0.11 -0.76 -0.16 0.00 0.18 0.00 0.00 52.55 51.70 2jov s ASP 76 Cb 0.01 -1.93 0.13 0.00 1.07 0.00 0.00 42.92 42.20 2jov s ASP 76 CO 0.36 -0.24 1.57 -0.44 1.18 0.00 0.00 175.17 177.61 2jov s SER 77 N 1.52 6.98 -0.83 0.27 0.01 -1.26 -4.90 113.70 115.48 2jov s SER 77 Ca 0.02 -2.77 -0.12 0.00 1.31 0.00 0.00 55.95 54.40 2jov s SER 77 Cb -0.18 -2.48 0.22 0.00 0.21 0.00 0.00 66.02 63.79 2jov s SER 77 CO 0.04 -0.93 0.75 -0.76 0.41 0.00 0.00 173.24 172.76 2jov s LEU 78 N 2.73 6.48 -0.29 2.44 1.43 -1.26 -5.02 118.68 125.19 2jov s LEU 78 Ca 0.48 -2.83 -0.10 0.00 -1.03 0.00 0.00 54.13 50.65 2jov s LEU 78 Cb 0.00 -2.15 -0.03 0.00 0.03 0.00 0.00 46.19 44.04 2jov s LEU 78 CO 0.04 -0.50 0.15 -0.70 0.23 0.00 0.00 176.35 175.56 2jov s GLU 79 N -0.05 3.64 -0.56 1.70 -6.30 -1.26 -4.99 118.70 110.87 2jov s GLU 79 Ca 0.19 -0.52 0.03 0.00 -2.50 0.00 0.00 54.97 52.17 2jov s GLU 79 Cb -0.11 -3.56 0.41 0.00 0.00 0.00 0.00 34.13 30.86 2jov s GLU 79 CO -0.08 -0.28 1.49 1.58 0.02 0.00 0.00 175.26 177.98 2jov n HIS 80 N 5.01 3.17 -0.13 5.30 -0.00 -1.26 -4.49 115.22 122.82 2jov n HIS 80 Ca -0.14 -2.74 -0.19 0.00 0.46 0.00 0.00 57.72 55.10 2jov n HIS 80 Cb 0.51 -0.58 -0.11 0.00 -0.12 0.00 0.00 29.99 29.68 2jov n HIS 80 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jov n HIS 81 N -0.57 0.00 -3.96 1.57 -0.00 -1.26 -4.96 115.22 106.04 2jov n HIS 81 Ca 0.47 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.88 2jov n HIS 81 Cb 0.58 -0.97 -0.04 0.00 -0.00 0.00 0.00 29.99 29.55 2jov n HIS 81 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2jov s HIS 82 N -2.50 3.43 0.00 1.57 -3.43 -1.26 -5.08 115.29 108.01 2jov s HIS 82 Ca -0.35 0.19 0.00 0.00 -0.80 0.00 0.00 55.06 54.10 2jov s HIS 82 Cb 0.10 -1.71 0.00 0.00 -1.43 0.00 0.00 32.58 29.53 2jov s HIS 82 CO 0.56 0.57 0.00 1.58 -2.00 0.00 0.00 174.74 175.45 2jov n HIS 83 N 0.22 0.00 0.00 0.38 -0.00 -1.26 -5.04 115.22 109.51 2jov n HIS 83 Ca -0.06 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.12 2jov n HIS 83 Cb 0.52 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.39 2jov n HIS 83 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jov n HIS 84 N 0.00 0.00 1.75 1.57 -0.00 -1.26 -5.10 115.22 112.18 2jov n HIS 84 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 2jov n HIS 84 Cb 0.00 0.00 0.74 0.00 -0.12 0.00 0.00 29.99 30.61 2jov n HIS 84 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52