#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jov h HIS 2 N 0.00 0.00 -3.26 2.03 -0.00 -2.02 -3.44 115.15 108.46 2jov h HIS 2 Ca 0.00 0.00 -0.66 0.00 -0.00 0.00 0.00 60.37 59.71 2jov h HIS 2 Cb 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 27.41 27.11 2jov h HIS 2 CO 0.00 0.00 -0.79 0.15 -0.00 0.00 0.00 177.93 177.29 2jov s LYS 3 N -3.30 3.22 0.08 2.45 1.02 -1.26 -1.40 119.74 120.55 2jov s LYS 3 Ca 0.02 -0.72 0.08 0.00 0.02 0.00 0.00 55.97 55.37 2jov s LYS 3 Cb 0.10 -2.75 -0.03 0.00 -0.52 0.00 0.00 37.83 34.63 2jov s LYS 3 CO 0.76 -0.11 -0.22 0.34 -0.92 0.00 0.00 175.35 175.20 2jov s ASP 4 N 1.16 2.63 -0.03 2.83 2.15 0.95 -4.56 116.67 121.80 2jov s ASP 4 Ca 0.01 -0.64 -0.30 0.00 0.43 0.00 0.00 52.55 52.06 2jov s ASP 4 Cb -0.14 -0.17 -0.07 0.00 -0.30 0.00 0.00 42.92 42.24 2jov s ASP 4 CO -0.05 0.11 1.77 -0.63 -0.17 0.00 0.00 175.17 176.20 2jov s ILE 5 N -1.02 3.38 -0.83 4.11 -1.09 -1.26 0.10 121.20 124.59 2jov s ILE 5 Ca 0.08 0.46 -0.25 0.00 -2.23 0.00 0.00 60.65 58.70 2jov s ILE 5 Cb -0.10 -3.30 0.03 0.00 -1.58 0.00 0.00 42.46 37.51 2jov s ILE 5 CO 0.04 -0.05 1.45 0.12 -1.23 0.00 0.00 174.94 175.27 2jov s PHE 6 N 4.27 2.26 -0.21 3.97 5.36 -1.26 -4.88 117.98 127.49 2jov s PHE 6 Ca 0.79 -0.17 -0.07 0.00 -0.96 0.00 0.00 56.93 56.53 2jov s PHE 6 Cb -0.36 -4.55 -0.03 0.00 -0.34 0.00 0.00 43.02 37.73 2jov s PHE 6 CO 0.34 -2.04 0.05 0.95 -1.46 0.00 0.00 175.22 173.06 2jov s THR 7 N 6.18 4.42 0.00 0.12 -4.23 -1.26 -1.89 115.64 118.97 2jov s THR 7 Ca 0.45 -0.15 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 2jov s THR 7 Cb -0.06 -3.02 0.00 0.00 1.34 0.00 0.00 72.50 70.76 2jov s THR 7 CO 0.06 0.41 0.00 -1.20 -0.54 0.00 0.00 174.62 173.35 2jov n SER 8 N 4.20 0.00 -4.20 3.99 7.64 -0.27 -4.98 113.62 120.00 2jov n SER 8 Ca -0.16 -0.90 -0.27 0.00 1.01 0.00 0.00 58.87 58.55 2jov n SER 8 Cb 0.52 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 2jov n SER 8 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jov s VAL 9 N -2.45 1.59 0.21 0.44 0.11 -1.26 0.21 120.40 119.25 2jov s VAL 9 Ca 0.00 -0.85 0.10 0.00 -2.93 0.00 0.00 61.98 58.30 2jov s VAL 9 Cb 0.00 -1.33 -0.05 0.00 -1.53 0.00 0.00 36.38 33.48 2jov s VAL 9 CO 0.00 0.45 -0.18 0.54 -3.33 0.00 0.00 175.10 172.57 2jov s VAL 10 N -0.36 2.06 0.08 2.04 0.11 0.10 -4.93 120.40 119.50 2jov s VAL 10 Ca 0.05 -2.16 -0.30 0.00 -2.93 0.00 0.00 61.98 56.64 2jov s VAL 10 Cb -0.09 -2.07 -0.05 0.00 -1.53 0.00 0.00 36.38 32.64 2jov s VAL 10 CO 0.00 -0.39 0.98 -0.13 -3.33 0.00 0.00 175.10 172.22 2jov s ARG 11 N -3.23 4.65 -0.03 1.54 1.81 -1.26 -1.38 118.95 121.05 2jov s ARG 11 Ca 0.23 1.46 0.07 0.00 -1.72 0.00 0.00 55.73 55.77 2jov s ARG 11 Cb -0.04 -3.40 -0.02 0.00 -0.45 0.00 0.00 34.95 31.04 2jov s ARG 11 CO 0.10 0.12 -0.25 0.08 -0.68 0.00 0.00 175.30 174.66 2jov s VAL 12 N 0.33 1.99 0.42 3.52 1.01 0.74 -2.40 120.40 126.00 2jov s VAL 12 Ca 0.49 -1.07 0.07 0.00 0.00 0.00 0.00 61.98 61.47 2jov s VAL 12 Cb -0.23 -1.65 -0.07 0.00 0.00 0.00 0.00 36.38 34.42 2jov s VAL 12 CO 0.29 0.56 0.03 -0.60 0.00 0.00 0.00 175.10 175.38 2jov s ARG 13 N -0.50 2.00 0.00 2.72 3.52 0.13 -4.30 118.95 122.51 2jov s ARG 13 Ca 0.07 -2.10 0.00 0.00 -0.13 0.00 0.00 55.73 53.57 2jov s ARG 13 Cb -0.10 -1.67 0.00 0.00 -1.56 0.00 0.00 34.95 31.62 2jov s ARG 13 CO -0.00 -0.08 0.00 0.41 -0.81 0.00 0.00 175.30 174.82 2jov n GLY 14 N -1.01 1.61 3.57 8.12 0.00 -1.26 -2.09 105.19 114.12 2jov n GLY 14 Ca -0.05 -2.19 -0.31 0.00 0.00 0.00 0.00 46.02 43.47 2jov n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2jov s SER 15 N 0.00 5.51 -0.18 1.61 1.04 -1.26 -4.81 113.70 115.61 2jov s SER 15 Ca 0.00 -1.25 -0.35 0.00 0.48 0.00 0.00 55.95 54.82 2jov s SER 15 Cb 0.00 -2.57 0.15 0.00 0.10 0.00 0.00 66.02 63.69 2jov s SER 15 CO 0.00 -2.47 1.35 -1.59 0.98 0.00 0.00 173.24 171.51 2jov s LYS 16 N 6.24 0.14 -0.32 4.02 0.00 -1.26 -4.76 119.74 123.81 2jov s LYS 16 Ca 0.64 -0.06 0.01 0.00 0.00 0.00 0.00 55.97 56.55 2jov s LYS 16 Cb -0.03 0.06 0.34 0.00 0.00 0.00 0.00 37.83 38.20 2jov s LYS 16 CO 0.02 -0.06 1.74 1.63 0.00 0.00 0.00 175.35 178.68 2jov n LYS 17 N -0.22 1.84 -3.78 1.78 5.02 -1.26 -4.72 118.16 116.81 2jov n LYS 17 Ca -0.02 -1.83 -0.30 0.00 -2.02 0.00 0.00 58.31 54.15 2jov n LYS 17 Cb 0.60 -1.72 -0.15 0.00 -0.02 0.00 0.00 35.03 33.74 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2jov s TYR 18 N -2.06 1.86 -1.43 2.13 2.02 -1.26 -4.97 117.35 113.64 2jov s TYR 18 Ca 0.35 -1.71 0.26 0.00 -0.37 0.00 0.00 57.07 55.61 2jov s TYR 18 Cb 0.29 -1.69 0.71 0.00 -0.40 0.00 0.00 41.96 40.87 2jov s TYR 18 CO 0.04 -0.83 1.54 0.09 -1.57 0.00 0.00 175.55 174.82 2jov n ASN 19 N 4.81 0.75 -3.89 2.29 4.13 -1.26 -4.62 115.26 117.45 2jov n ASN 19 Ca -0.04 -0.58 -0.11 0.00 1.68 0.00 0.00 54.58 55.53 2jov n ASN 19 Cb 0.43 0.14 -0.13 0.00 -1.54 0.00 0.00 39.78 38.69 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2jov s VAL 20 N -2.71 0.04 -0.01 2.41 -7.23 -1.26 -0.19 120.40 111.45 2jov s VAL 20 Ca 0.19 -0.31 -0.01 0.00 -1.81 0.00 0.00 61.98 60.04 2jov s VAL 20 Cb 0.19 -0.14 0.01 0.00 0.56 0.00 0.00 36.38 36.99 2jov s VAL 20 CO 0.59 -0.17 0.03 0.54 -0.31 0.00 0.00 175.10 175.78 2jov s VAL 21 N -0.51 -0.01 0.06 1.32 0.11 -0.48 -4.87 120.40 116.03 2jov s VAL 21 Ca -0.06 0.04 -0.31 0.00 -2.93 0.00 0.00 61.98 58.72 2jov s VAL 21 Cb -0.04 -0.06 -0.06 0.00 -1.53 0.00 0.00 36.38 34.69 2jov s VAL 21 CO -0.00 0.02 1.25 -2.16 -3.33 0.00 0.00 175.10 170.87 2jov s PRO 22 N 0.20 4.40 0.29 1.54 0.04 -1.26 -0.72 135.00 139.49 2jov s PRO 22 Ca -0.02 1.84 0.10 0.00 0.04 0.00 0.00 61.00 62.96 2jov s PRO 22 Cb -0.02 -3.34 -0.05 0.00 0.04 0.00 0.00 34.50 31.12 2jov s PRO 22 CO -0.01 -0.32 -0.04 0.14 0.04 0.00 0.00 177.00 176.81 2jov s VAL 23 N 1.18 2.96 0.36 -0.36 -7.23 0.13 -2.83 120.40 114.60 2jov s VAL 23 Ca 0.60 -2.05 0.03 0.00 -1.81 0.00 0.00 61.98 58.76 2jov s VAL 23 Cb -0.31 -2.70 -0.04 0.00 0.56 0.00 0.00 36.38 33.89 2jov s VAL 23 CO 0.29 -0.32 0.12 -1.59 -0.31 0.00 0.00 175.10 173.29 2jov s LYS 24 N -3.65 1.76 -0.15 4.82 -2.85 0.66 -1.12 119.74 119.21 2jov s LYS 24 Ca 0.32 -2.03 -0.03 0.00 -1.00 0.00 0.00 55.97 53.23 2jov s LYS 24 Cb -0.04 -0.51 -0.03 0.00 -2.06 0.00 0.00 37.83 35.19 2jov s LYS 24 CO 0.19 -0.40 -0.04 -1.54 0.10 0.00 0.00 175.35 173.66 2jov s SER 25 N -3.51 4.82 0.21 0.03 1.04 -0.79 -1.27 113.70 114.23 2jov s SER 25 Ca 0.30 -0.11 -0.09 0.00 0.48 0.00 0.00 55.95 56.53 2jov s SER 25 Cb 0.05 -1.74 0.25 0.00 0.10 0.00 0.00 66.02 64.68 2jov s SER 25 CO 0.16 0.19 1.78 -1.13 0.98 0.00 0.00 173.24 175.22 2jov h ASN 26 N 6.55 0.43 -4.51 7.02 -1.24 -1.24 -3.43 115.58 119.16 2jov h ASN 26 Ca -0.33 0.05 -0.67 0.00 0.71 0.00 0.00 56.30 56.05 2jov h ASN 26 Cb 1.19 -0.03 -0.29 0.00 0.73 0.00 0.00 38.32 39.92 2jov h ASN 26 CO 0.62 0.27 -0.88 -0.75 -1.29 0.00 0.00 177.43 175.40 2jov s LYS 27 N -6.09 1.94 0.09 6.67 2.20 -1.26 -4.98 119.74 118.30 2jov s LYS 27 Ca -0.13 -0.92 -0.37 0.00 -0.36 0.00 0.00 55.97 54.20 2jov s LYS 27 Cb 0.16 -1.92 -0.17 0.00 -1.51 0.00 0.00 37.83 34.39 2jov s LYS 27 CO 0.75 0.52 1.27 -2.30 -0.36 0.00 0.00 175.35 175.23 2jov n PRO 28 N 2.34 0.97 -3.74 4.03 -0.02 -1.26 -4.76 135.00 132.56 2jov n PRO 28 Ca -0.16 0.35 -0.36 0.00 -2.02 0.00 0.00 63.50 61.31 2jov n PRO 28 Cb 0.52 -1.94 -0.09 0.00 -0.02 0.00 0.00 33.50 31.96 2jov n PRO 28 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2jov s VAL 29 N 0.30 5.25 0.23 -1.45 1.01 0.12 -4.60 120.40 121.25 2jov s VAL 29 Ca 0.84 0.14 -0.31 0.00 0.00 0.00 0.00 61.98 62.64 2jov s VAL 29 Cb -0.99 -3.42 -0.14 0.00 0.00 0.00 0.00 36.38 31.83 2jov s VAL 29 CO 0.49 0.39 1.30 -0.62 0.00 0.00 0.00 175.10 176.66 2jov n GLU 30 N 3.96 1.72 -1.99 2.72 1.02 -1.26 -0.04 120.64 126.78 2jov n GLU 30 Ca -0.16 0.61 -0.26 0.00 -0.02 0.00 0.00 57.16 57.34 2jov n GLU 30 Cb 0.52 -2.19 -0.07 0.00 -0.02 0.00 0.00 31.44 29.68 2jov n GLU 30 CO 0.00 0.00 0.00 -1.50 1.18 0.00 0.00 177.13 176.81 2jov s ILE 31 N -0.22 3.45 0.00 -3.67 1.10 -0.50 -2.20 121.20 119.16 2jov s ILE 31 Ca 0.68 -0.73 0.00 0.00 -0.51 0.00 0.00 60.65 60.10 2jov s ILE 31 Cb -0.71 -4.40 0.00 0.00 0.15 0.00 0.00 42.46 37.49 2jov s ILE 31 CO 0.52 -0.83 0.00 -0.24 -2.11 0.00 0.00 174.94 172.27 2jov n SER 32 N 15.21 0.00 0.00 4.50 2.88 -1.26 -4.94 113.62 130.01 2jov n SER 32 Ca 0.44 0.00 0.13 0.00 -1.33 0.00 0.00 58.87 58.11 2jov n SER 32 Cb 0.47 0.00 0.69 0.00 -0.75 0.00 0.00 64.21 64.62 2jov n SER 32 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2jov n LYS 33 N 0.00 0.39 -0.08 -1.46 4.76 -0.93 -3.43 118.16 117.41 2jov n LYS 33 Ca 0.00 0.03 0.09 0.00 -2.87 0.00 0.00 58.31 55.55 2jov n LYS 33 Cb 0.00 -1.50 0.45 0.00 -1.84 0.00 0.00 35.03 32.14 2jov n LYS 33 CO 0.00 0.00 0.00 -1.49 -1.37 0.00 0.00 177.40 174.54 2jov h TRP 34 N 0.00 0.52 0.40 2.13 4.06 -1.93 -0.72 115.95 120.42 2jov h TRP 34 Ca 0.00 0.01 -0.02 0.00 2.06 0.00 0.00 58.89 60.94 2jov h TRP 34 Cb 0.26 -0.17 0.00 0.00 -1.00 0.00 0.00 29.16 28.25 2jov h TRP 34 CO 0.00 0.27 -0.19 0.82 -3.56 0.00 0.00 178.44 175.78 2jov h ILE 35 N 0.51 0.59 -0.70 1.49 2.04 -1.95 -1.76 117.51 117.73 2jov h ILE 35 Ca 0.25 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.72 2jov h ILE 35 Cb 0.32 0.76 -0.03 0.00 -0.74 0.00 0.00 36.82 37.13 2jov h ILE 35 CO -0.07 0.07 0.31 0.44 0.00 0.00 0.00 178.15 178.89 2jov h ASP 36 N -0.75 0.92 0.12 1.72 5.19 -1.70 0.12 116.42 122.03 2jov h ASP 36 Ca -0.05 -0.11 -0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2jov h ASP 36 Cb 0.52 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.79 2jov h ASP 36 CO 0.09 0.80 -0.06 -0.26 -3.12 0.00 0.00 179.24 176.69 2jov h PHE 37 N 1.00 -0.14 -0.14 4.55 -1.00 -1.12 -0.50 116.94 119.58 2jov h PHE 37 Ca 0.24 -0.00 -0.06 0.00 2.81 0.00 0.00 57.97 60.96 2jov h PHE 37 Cb 0.14 0.05 -0.01 0.00 3.61 0.00 0.00 35.95 39.74 2jov h PHE 37 CO 0.01 0.08 -0.17 1.03 -1.61 0.00 0.00 178.31 177.66 2jov h SER 38 N -0.36 0.22 0.12 2.17 0.87 -1.16 -2.25 113.55 113.17 2jov h SER 38 Ca -0.02 -0.05 0.02 0.00 -1.23 0.00 0.00 61.79 60.51 2jov h SER 38 Cb 0.29 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.16 2jov h SER 38 CO 0.03 0.41 -0.25 -1.13 -0.53 0.00 0.00 176.83 175.35 2jov h ASN 39 N 0.22 -0.72 -0.69 6.23 -0.73 -0.41 -1.59 115.58 117.88 2jov h ASN 39 Ca 0.04 0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.30 2jov h ASN 39 Cb 0.43 0.27 -0.03 0.00 0.27 0.00 0.00 38.32 39.26 2jov h ASN 39 CO 0.03 -0.34 0.44 0.58 -0.37 0.00 0.00 177.43 177.76 2jov h VAL 40 N -0.46 1.19 0.00 2.57 2.07 -0.77 -1.83 116.25 119.02 2jov h VAL 40 Ca 0.03 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 2jov h VAL 40 Cb 0.49 0.19 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2jov h VAL 40 CO -0.14 0.19 -0.04 -0.07 0.02 0.00 0.00 177.57 177.53 2jov h LEU 41 N 0.94 0.00 -0.11 2.57 3.38 -1.15 -1.53 115.31 119.41 2jov h LEU 41 Ca 0.25 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.22 2jov h LEU 41 Cb -0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.68 2jov h LEU 41 CO -0.05 0.04 0.00 -0.24 0.09 0.00 0.00 178.44 178.27 2jov n SER 42 N -4.09 0.09 -0.30 -0.43 2.88 -0.62 -1.61 113.62 109.54 2jov n SER 42 Ca -0.03 0.52 0.05 0.00 -1.33 0.00 0.00 58.87 58.09 2jov n SER 42 Cb 0.12 -0.54 0.07 0.00 -0.75 0.00 0.00 64.21 63.11 2jov n SER 42 CO 0.00 0.00 0.00 -2.11 -1.23 0.00 0.00 175.04 171.70 2jov n ARG 43 N -1.60 0.63 -3.81 -1.46 0.00 -0.60 -5.02 116.66 104.79 2jov n ARG 43 Ca 0.03 -1.78 -0.36 0.00 -0.00 0.00 0.00 57.85 55.73 2jov n ARG 43 Cb 0.15 -0.99 -0.13 0.00 -0.00 0.00 0.00 32.46 31.49 2jov n ARG 43 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 2jov s LEU 44 N -1.41 3.66 -0.26 2.89 2.96 -0.63 -5.07 118.68 120.82 2jov s LEU 44 Ca 0.16 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.35 2jov s LEU 44 Cb 0.14 -1.83 0.04 0.00 0.50 0.00 0.00 46.19 45.04 2jov s LEU 44 CO 0.01 -0.17 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.49 2jov s TYR 45 N 1.46 3.15 0.64 5.38 1.51 -1.26 -4.05 117.35 124.18 2jov s TYR 45 Ca 0.02 -1.91 0.05 0.00 -1.01 0.00 0.00 57.07 54.23 2jov s TYR 45 Cb -0.17 -2.01 0.11 0.00 -0.11 0.00 0.00 41.96 39.78 2jov s TYR 45 CO 0.01 -0.81 0.88 0.14 -1.11 0.00 0.00 175.55 174.66 2jov s VAL 46 N 1.23 2.13 0.30 0.71 -7.23 -1.01 -4.91 120.40 111.61 2jov s VAL 46 Ca -0.04 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 2jov s VAL 46 Cb -0.18 -2.29 -0.02 0.00 0.56 0.00 0.00 36.38 34.45 2jov s VAL 46 CO -0.05 0.00 0.33 -0.83 -0.31 0.00 0.00 175.10 174.25 2jov s GLY 47 N -4.70 1.67 0.23 2.32 0.00 -1.26 0.21 107.32 105.79 2jov s GLY 47 Ca 0.64 -1.68 0.00 0.00 0.00 0.00 0.00 44.72 43.68 2jov s GLY 47 CO 0.41 -1.21 0.00 -0.62 0.00 0.00 0.00 173.10 171.68 2jov n VAL 48 N -0.50 -2.92 -1.90 1.40 0.31 -0.89 -4.82 118.33 109.02 2jov n VAL 48 Ca 0.03 1.07 -0.42 0.00 -0.01 0.00 0.00 64.34 65.00 2jov n VAL 48 Cb 0.63 -1.48 -0.03 0.00 -0.91 0.00 0.00 33.84 32.05 2jov n VAL 48 CO 0.00 0.00 0.00 -2.84 -1.32 0.00 0.00 176.83 172.67 2jov s PRO 49 N -4.98 4.11 0.35 5.55 0.02 -1.26 -4.92 135.00 133.88 2jov s PRO 49 Ca 0.00 2.28 0.07 0.00 0.02 0.00 0.00 61.00 63.37 2jov s PRO 49 Cb 0.00 -4.06 -0.01 0.00 0.02 0.00 0.00 34.50 30.45 2jov s PRO 49 CO 0.00 -0.95 0.45 0.95 -0.33 0.00 0.00 177.00 177.12 2jov s THR 50 N 4.39 3.69 0.00 0.99 -4.23 -1.26 -4.83 115.64 114.40 2jov s THR 50 Ca 0.79 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.21 2jov s THR 50 Cb -0.36 -3.27 0.00 0.00 1.34 0.00 0.00 72.50 70.21 2jov s THR 50 CO 0.33 -0.12 0.00 0.29 -0.54 0.00 0.00 174.62 174.58 2jov n LYS 51 N -1.62 3.88 -3.66 3.99 5.02 -1.26 0.93 118.16 125.44 2jov n LYS 51 Ca 0.01 0.00 -0.37 0.00 -2.02 0.00 0.00 58.31 55.93 2jov n LYS 51 Cb 0.59 0.00 -0.11 0.00 -0.02 0.00 0.00 35.03 35.48 2jov n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jov s SER 52 N -0.84 5.75 0.00 4.39 0.15 -1.26 -3.32 113.70 118.57 2jov s SER 52 Ca 0.00 -0.05 0.00 0.00 0.70 0.00 0.00 55.95 56.60 2jov s SER 52 Cb 0.00 -2.05 0.00 0.00 -1.71 0.00 0.00 66.02 62.26 2jov s SER 52 CO 0.00 -0.03 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2jov n GLY 53 N 4.90 0.54 3.28 9.45 0.00 0.11 -4.95 105.19 118.51 2jov n GLY 53 Ca -0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.49 2jov n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jov s ASN 54 N -0.96 5.40 -0.31 1.61 0.01 -0.60 -4.91 114.94 115.19 2jov s ASN 54 Ca 0.00 -1.19 -0.29 0.00 -0.71 0.00 0.00 52.86 50.67 2jov s ASN 54 Cb 0.00 -1.90 -0.02 0.00 0.41 0.00 0.00 41.25 39.74 2jov s ASN 54 CO 0.00 -0.36 1.68 -0.69 -1.51 0.00 0.00 177.10 176.22 2jov s VAL 55 N 1.42 3.60 -0.09 1.60 1.01 -1.26 -0.36 120.40 126.32 2jov s VAL 55 Ca -0.00 0.64 -0.03 0.00 0.00 0.00 0.00 61.98 62.58 2jov s VAL 55 Cb -0.20 -3.75 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2jov s VAL 55 CO 0.03 -0.43 -0.06 0.58 0.00 0.00 0.00 175.10 175.21 2jov h VAL 56 N 6.56 0.00 -3.30 2.92 2.07 -0.92 -3.46 116.25 120.11 2jov h VAL 56 Ca -0.33 -0.74 -0.53 0.00 0.82 0.00 0.00 66.70 65.92 2jov h VAL 56 Cb 1.15 0.00 -0.38 0.00 -1.52 0.00 0.00 31.29 30.54 2jov h VAL 56 CO 1.03 0.00 -0.78 0.00 0.02 0.00 0.00 177.57 177.84 2jov s LYS 58 N 1.72 3.56 -1.37 0.00 -2.85 -1.26 -0.74 119.74 118.79 2jov s LYS 58 Ca 0.01 -0.04 -0.09 0.00 -1.00 0.00 0.00 55.97 54.85 2jov s LYS 58 Cb -0.15 -3.15 0.02 0.00 -2.06 0.00 0.00 37.83 32.49 2jov s LYS 58 CO -0.07 0.72 1.10 -1.71 0.10 0.00 0.00 175.35 175.49 2jov n ASN 59 N 1.59 -5.31 -4.74 0.03 2.85 -0.59 -4.88 115.26 104.21 2jov n ASN 59 Ca -0.16 -0.61 -0.42 0.00 -0.11 0.00 0.00 54.58 53.29 2jov n ASN 59 Cb 0.54 -4.77 -0.02 0.00 1.24 0.00 0.00 39.78 36.76 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 -2.11 0.00 0.00 177.26 174.64 2jov s ILE 60 N -3.34 2.58 -1.79 -1.44 2.07 -1.03 -1.42 121.20 116.84 2jov s ILE 60 Ca 0.51 0.47 0.00 0.00 -1.41 0.00 0.00 60.65 60.21 2jov s ILE 60 Cb -0.23 -3.30 0.00 0.00 0.13 0.00 0.00 42.46 39.06 2jov s ILE 60 CO 0.75 0.06 0.00 0.23 -1.91 0.00 0.00 174.94 174.08 2jov n MET 61 N 2.76 -1.25 -1.04 3.50 2.81 -1.26 -0.70 117.12 121.94 2jov n MET 61 Ca 0.09 1.07 -0.01 0.00 -1.81 0.00 0.00 57.70 57.03 2jov n MET 61 Cb 0.39 -5.35 -0.01 0.00 -0.71 0.00 0.00 33.22 27.55 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 -0.91 -5.12 -0.08 7.83 4.05 -0.51 -4.86 115.26 115.66 2jov n ASN 62 Ca -0.18 0.03 -0.13 0.00 0.45 0.00 0.00 54.58 54.75 2jov n ASN 62 Cb 0.59 -2.74 -0.05 0.00 1.23 0.00 0.00 39.78 38.80 2jov n ASN 62 CO 0.00 0.00 0.00 0.74 -3.05 0.00 0.00 177.26 174.95 2jov h THR 63 N 0.00 1.32 0.00 -0.44 2.02 -1.01 -3.48 112.91 111.32 2jov h THR 63 Ca -0.03 -1.41 0.00 0.00 0.77 0.00 0.00 66.41 65.74 2jov h THR 63 Cb 0.74 1.69 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2jov h THR 63 CO 0.04 0.44 0.00 0.61 0.37 0.00 0.00 175.52 176.98 2jov n GLY 64 N 0.18 1.21 3.77 2.16 0.00 -1.25 -4.96 105.19 106.30 2jov n GLY 64 Ca -0.05 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2jov n GLY 64 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2jov s VAL 65 N -1.51 2.73 -0.24 1.61 1.01 -1.26 -3.70 120.40 119.05 2jov s VAL 65 Ca 0.00 0.71 -0.15 0.00 0.00 0.00 0.00 61.98 62.54 2jov s VAL 65 Cb 0.00 -3.44 -0.04 0.00 0.00 0.00 0.00 36.38 32.90 2jov s VAL 65 CO 0.00 0.15 0.36 -1.81 0.00 0.00 0.00 175.10 173.80 2jov s ASP 66 N -0.59 6.32 -0.52 3.32 1.11 -1.26 -1.55 116.67 123.50 2jov s ASP 66 Ca 0.51 0.37 -0.22 0.00 0.18 0.00 0.00 52.55 53.39 2jov s ASP 66 Cb -0.39 -2.21 0.05 0.00 1.07 0.00 0.00 42.92 41.44 2jov s ASP 66 CO 0.51 -0.10 0.80 -0.63 1.18 0.00 0.00 175.17 176.92 2jov s ILE 67 N 1.60 4.61 -0.10 0.77 -1.09 0.08 -0.63 121.20 126.44 2jov s ILE 67 Ca 0.16 -0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.57 2jov s ILE 67 Cb -0.15 -4.42 -0.02 0.00 -1.58 0.00 0.00 42.46 36.30 2jov s ILE 67 CO 0.08 -0.95 -0.16 0.27 -1.23 0.00 0.00 174.94 172.95 2jov s ILE 68 N 3.35 2.81 0.34 2.92 -4.36 -0.40 -0.15 121.20 125.72 2jov s ILE 68 Ca 0.24 -0.77 -0.27 0.00 -0.26 0.00 0.00 60.65 59.59 2jov s ILE 68 Cb -0.15 -2.14 -0.09 0.00 1.25 0.00 0.00 42.46 41.33 2jov s ILE 68 CO 0.16 0.55 1.15 0.00 0.24 0.00 0.00 174.94 177.04 2jov n THR 70 N 0.61 0.12 -3.90 0.00 5.66 -1.13 0.04 114.28 115.68 2jov n THR 70 Ca 0.02 -0.40 -0.35 0.00 -3.05 0.00 0.00 64.05 60.26 2jov n THR 70 Cb 0.45 1.20 -0.09 0.00 -1.55 0.00 0.00 70.33 70.34 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 -0.12 4.02 -0.54 1.09 2.20 -1.21 -4.32 119.74 120.87 2jov s LYS 71 Ca 0.00 -0.31 -0.24 0.00 -0.36 0.00 0.00 55.97 55.05 2jov s LYS 71 Cb 0.00 -3.30 0.04 0.00 -1.51 0.00 0.00 37.83 33.06 2jov s LYS 71 CO 0.00 0.24 0.94 -0.80 -0.36 0.00 0.00 175.35 175.37 2jov s ASN 72 N 0.48 6.36 -0.20 1.43 0.02 -1.25 -4.16 114.94 117.63 2jov s ASN 72 Ca 0.05 -0.29 -0.14 0.00 -1.02 0.00 0.00 52.86 51.45 2jov s ASN 72 Cb -0.12 -2.44 -0.04 0.00 0.02 0.00 0.00 41.25 38.67 2jov s ASN 72 CO 0.00 -1.20 0.34 -0.76 0.02 0.00 0.00 177.10 175.50 2jov s LEU 73 N 3.91 4.16 0.23 0.60 1.43 0.26 -4.96 118.68 124.31 2jov s LEU 73 Ca 0.31 0.44 -0.32 0.00 -1.03 0.00 0.00 54.13 53.53 2jov s LEU 73 Cb -0.12 -2.41 -0.12 0.00 0.03 0.00 0.00 46.19 43.56 2jov s LEU 73 CO 0.20 -0.02 1.62 -0.81 0.23 0.00 0.00 176.35 177.57 2jov n PRO 74 N 4.29 2.55 0.00 1.29 -0.04 -1.26 -4.14 135.00 137.68 2jov n PRO 74 Ca -0.10 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.27 2jov n PRO 74 Cb 0.51 -2.70 0.00 0.00 -0.04 0.00 0.00 33.50 31.27 2jov n PRO 74 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 2jov n LYS 75 N 3.06 0.00 -2.63 0.54 4.81 -1.26 -4.83 118.16 117.85 2jov n LYS 75 Ca 0.13 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.16 2jov n LYS 75 Cb 0.34 -0.08 -0.03 0.00 0.02 0.00 0.00 35.03 35.28 2jov n LYS 75 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2jov s ASP 76 N -1.00 6.41 -0.86 3.14 1.01 -1.26 -4.90 116.67 119.21 2jov s ASP 76 Ca 0.00 -1.25 -0.21 0.00 0.71 0.00 0.00 52.55 51.80 2jov s ASP 76 Cb 0.00 -2.53 0.09 0.00 1.01 0.00 0.00 42.92 41.49 2jov s ASP 76 CO 0.00 -1.53 1.15 -0.55 0.21 0.00 0.00 175.17 174.45 2jov s SER 77 N 4.40 6.45 -1.25 0.27 0.15 -1.26 -4.89 113.70 117.57 2jov s SER 77 Ca 0.40 -1.56 -0.05 0.00 0.70 0.00 0.00 55.95 55.44 2jov s SER 77 Cb -0.04 -2.44 0.17 0.00 -1.71 0.00 0.00 66.02 62.00 2jov s SER 77 CO -0.02 -1.29 2.21 0.18 1.20 0.00 0.00 173.24 175.51 2jov n LEU 78 N 7.44 7.76 -4.73 3.45 4.77 -1.26 -4.99 117.00 129.44 2jov n LEU 78 Ca 0.17 -4.98 -0.41 0.00 -0.03 0.00 0.00 56.01 50.75 2jov n LEU 78 Cb 0.48 -1.33 -0.03 0.00 -2.33 0.00 0.00 43.42 40.21 2jov n LEU 78 CO 0.58 2.00 0.87 -1.61 -1.33 0.00 0.00 177.39 177.90 2jov s GLU 79 N -1.72 4.49 -0.23 3.23 0.41 -1.26 -4.99 118.70 118.63 2jov s GLU 79 Ca 0.49 1.83 -0.29 0.00 -0.41 0.00 0.00 54.97 56.59 2jov s GLU 79 Cb 0.17 -3.27 0.01 0.00 -1.78 0.00 0.00 34.13 29.26 2jov s GLU 79 CO -0.09 -0.10 1.06 -3.38 -0.49 0.00 0.00 175.26 172.26 2jov s HIS 80 N 0.18 3.29 0.12 1.61 -3.43 -1.26 -4.94 115.29 110.87 2jov s HIS 80 Ca 0.54 1.42 -0.20 0.00 -0.80 0.00 0.00 55.06 56.02 2jov s HIS 80 Cb -0.31 -3.31 -0.05 0.00 -1.43 0.00 0.00 32.58 27.48 2jov s HIS 80 CO 0.35 -0.58 1.74 0.45 -2.00 0.00 0.00 174.74 174.69 2jov h HIS 81 N 7.54 0.09 0.00 0.38 -0.00 -2.01 -3.45 115.15 117.70 2jov h HIS 81 Ca -0.20 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.18 2jov h HIS 81 Cb 1.06 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 2jov h HIS 81 CO 0.76 0.04 0.00 1.58 -0.00 0.00 0.00 177.93 180.31 2jov n HIS 82 N -5.07 -0.27 -3.54 2.45 -0.00 -1.26 -5.13 115.22 102.39 2jov n HIS 82 Ca -0.03 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 58.06 2jov n HIS 82 Cb 0.08 0.20 -0.09 0.00 -0.12 0.00 0.00 29.99 30.05 2jov n HIS 82 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jov s HIS 83 N -0.39 -0.76 -0.17 1.57 2.46 -1.26 -5.13 115.29 111.60 2jov s HIS 83 Ca 0.00 1.20 -0.09 0.00 0.47 0.00 0.00 55.06 56.64 2jov s HIS 83 Cb 0.00 0.16 0.06 0.00 -0.13 0.00 0.00 32.58 32.67 2jov s HIS 83 CO 0.00 -0.56 0.41 -1.01 -2.47 0.00 0.00 174.74 171.11 2jov s HIS 84 N 2.57 -0.62 0.00 3.88 3.76 -1.26 -5.22 115.29 118.40 2jov s HIS 84 Ca 0.04 1.30 0.00 0.00 -0.15 0.00 0.00 55.06 56.25 2jov s HIS 84 Cb -0.13 0.27 0.00 0.00 1.11 0.00 0.00 32.58 33.82 2jov s HIS 84 CO -0.13 -0.35 0.00 -2.39 -0.85 0.00 0.00 174.74 171.01