#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jov s HIS 2 N 0.00 2.96 -0.04 2.03 4.02 -1.26 -5.01 115.29 117.99 2jov s HIS 2 Ca 0.00 0.74 -0.22 0.00 1.02 0.00 0.00 55.06 56.61 2jov s HIS 2 Cb 0.00 -4.01 -0.05 0.00 -1.02 0.00 0.00 32.58 27.50 2jov s HIS 2 CO 0.00 -1.04 0.63 0.15 1.02 0.00 0.00 174.74 175.50 2jov s LYS 3 N 3.93 4.38 0.56 1.40 1.02 -1.26 -4.66 119.74 125.11 2jov s LYS 3 Ca 0.43 0.78 0.05 0.00 0.02 0.00 0.00 55.97 57.25 2jov s LYS 3 Cb -0.10 -3.39 0.05 0.00 -0.52 0.00 0.00 37.83 33.87 2jov s LYS 3 CO 0.24 0.23 0.44 -0.40 -0.92 0.00 0.00 175.35 174.94 2jov n ASP 4 N 3.22 2.77 -4.49 2.83 5.75 0.84 -4.74 116.55 122.74 2jov n ASP 4 Ca -0.05 -2.92 -0.40 0.00 -0.01 0.00 0.00 54.79 51.42 2jov n ASP 4 Cb 0.51 -0.06 -0.11 0.00 -1.03 0.00 0.00 41.12 40.43 2jov n ASP 4 CO 0.00 0.00 0.00 -0.63 -0.11 0.00 0.00 177.20 176.46 2jov s ILE 5 N -2.79 4.99 -0.14 2.12 -1.09 -1.26 0.28 121.20 123.31 2jov s ILE 5 Ca 0.33 -0.32 -0.29 0.00 -2.23 0.00 0.00 60.65 58.14 2jov s ILE 5 Cb -0.03 -3.57 -0.01 0.00 -1.58 0.00 0.00 42.46 37.28 2jov s ILE 5 CO 0.21 0.01 1.11 0.12 -1.23 0.00 0.00 174.94 175.16 2jov s PHE 6 N 1.67 3.26 -0.02 3.97 5.36 -1.26 -4.90 117.98 126.07 2jov s PHE 6 Ca 0.05 1.36 -0.02 0.00 -0.96 0.00 0.00 56.93 57.37 2jov s PHE 6 Cb -0.17 -3.32 0.01 0.00 -0.34 0.00 0.00 43.02 39.20 2jov s PHE 6 CO 0.09 -0.82 0.06 -0.08 -1.46 0.00 0.00 175.22 173.01 2jov s THR 7 N 2.69 -0.01 0.36 0.12 -1.32 -1.26 -1.14 115.64 115.07 2jov s THR 7 Ca 0.50 0.05 -0.08 0.00 -1.21 0.00 0.00 61.69 60.95 2jov s THR 7 Cb -0.19 -0.10 0.03 0.00 -1.51 0.00 0.00 72.50 70.73 2jov s THR 7 CO 0.15 0.02 0.62 -0.44 -2.21 0.00 0.00 174.62 172.75 2jov s SER 8 N 0.31 0.51 -0.14 8.08 0.01 -0.77 -5.00 113.70 116.69 2jov s SER 8 Ca -0.02 -1.33 -0.02 0.00 1.31 0.00 0.00 55.95 55.89 2jov s SER 8 Cb -0.03 0.75 -0.02 0.00 0.21 0.00 0.00 66.02 66.92 2jov s SER 8 CO -0.01 -1.47 -0.07 0.54 0.41 0.00 0.00 173.24 172.63 2jov s VAL 9 N -2.74 3.58 0.24 3.43 0.11 -1.26 -0.09 120.40 123.67 2jov s VAL 9 Ca 0.24 -0.47 0.11 0.00 -2.93 0.00 0.00 61.98 58.93 2jov s VAL 9 Cb -0.03 -2.55 -0.05 0.00 -1.53 0.00 0.00 36.38 32.23 2jov s VAL 9 CO 0.16 0.51 -0.17 0.54 -3.33 0.00 0.00 175.10 172.81 2jov s VAL 10 N 0.31 2.66 -0.07 2.04 0.11 0.32 -4.91 120.40 120.86 2jov s VAL 10 Ca -0.06 -2.14 -0.29 0.00 -2.93 0.00 0.00 61.98 56.57 2jov s VAL 10 Cb -0.15 -2.36 -0.02 0.00 -1.53 0.00 0.00 36.38 32.33 2jov s VAL 10 CO 0.04 -0.28 0.94 -0.13 -3.33 0.00 0.00 175.10 172.35 2jov s ARG 11 N -3.20 4.46 -0.03 1.54 0.52 -1.26 -0.27 118.95 120.71 2jov s ARG 11 Ca 0.27 1.30 -0.26 0.00 -0.52 0.00 0.00 55.73 56.53 2jov s ARG 11 Cb -0.07 -3.50 -0.04 0.00 0.52 0.00 0.00 34.95 31.86 2jov s ARG 11 CO 0.14 -0.17 0.80 0.08 0.02 0.00 0.00 175.30 176.17 2jov s VAL 12 N 1.50 4.94 0.17 3.52 1.01 0.23 -3.59 120.40 128.18 2jov s VAL 12 Ca 0.47 1.66 0.06 0.00 0.00 0.00 0.00 61.98 64.17 2jov s VAL 12 Cb -0.19 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.01 2jov s VAL 12 CO 0.21 0.24 0.11 -0.60 0.00 0.00 0.00 175.10 175.06 2jov s ARG 13 N 0.72 2.78 0.00 2.72 3.52 -0.58 -4.82 118.95 123.29 2jov s ARG 13 Ca 0.42 -0.95 0.00 0.00 -0.13 0.00 0.00 55.73 55.07 2jov s ARG 13 Cb -0.19 -2.56 0.00 0.00 -1.56 0.00 0.00 34.95 30.63 2jov s ARG 13 CO 0.22 0.47 0.00 0.41 -0.81 0.00 0.00 175.30 175.59 2jov n GLY 14 N -0.37 1.09 3.58 8.12 0.00 -1.26 -3.69 105.19 112.66 2jov n GLY 14 Ca -0.09 -2.13 -0.42 0.00 0.00 0.00 0.00 46.02 43.38 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 6.39 0.18 1.61 1.04 -1.26 -4.92 113.70 116.74 2jov s SER 15 Ca 0.00 0.04 -0.09 0.00 0.48 0.00 0.00 55.95 56.37 2jov s SER 15 Cb 0.00 -2.55 0.04 0.00 0.10 0.00 0.00 66.02 63.60 2jov s SER 15 CO 0.00 -1.55 0.47 2.29 0.98 0.00 0.00 173.24 175.43 2jov n LYS 16 N 8.60 0.53 -1.99 4.02 -0.00 -1.26 -4.89 118.16 123.17 2jov n LYS 16 Ca 0.08 -1.08 -0.25 0.00 -0.00 0.00 0.00 58.31 57.06 2jov n LYS 16 Cb 0.49 1.38 0.02 0.00 -0.00 0.00 0.00 35.03 36.92 2jov n LYS 16 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2jov n LYS 17 N -0.32 3.57 -4.23 -1.58 5.02 -1.26 -5.00 118.16 114.36 2jov n LYS 17 Ca -0.04 -4.13 -0.18 0.00 -2.02 0.00 0.00 58.31 51.94 2jov n LYS 17 Cb 0.32 -2.28 -0.11 0.00 -0.02 0.00 0.00 35.03 32.94 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 -3.61 1.36 -0.07 2.13 1.51 -1.26 -5.08 117.35 112.33 2jov s TYR 18 Ca 0.52 -0.55 -0.02 0.00 -1.01 0.00 0.00 57.07 56.01 2jov s TYR 18 Cb 0.41 -0.72 -0.04 0.00 -0.11 0.00 0.00 41.96 41.51 2jov s TYR 18 CO 0.03 0.12 -0.08 0.09 -1.11 0.00 0.00 175.55 174.61 2jov n ASN 19 N 0.64 1.56 -4.02 2.29 3.02 -1.26 -4.79 115.26 112.70 2jov n ASN 19 Ca -0.16 0.04 -0.17 0.00 -0.03 0.00 0.00 54.58 54.26 2jov n ASN 19 Cb 0.57 -0.17 -0.14 0.00 -0.61 0.00 0.00 39.78 39.43 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jov s VAL 20 N -2.13 0.62 -0.03 2.41 -7.23 -1.26 -0.60 120.40 112.17 2jov s VAL 20 Ca -0.10 -0.51 0.03 0.00 -1.81 0.00 0.00 61.98 59.60 2jov s VAL 20 Cb 0.03 -0.55 -0.00 0.00 0.56 0.00 0.00 36.38 36.42 2jov s VAL 20 CO 0.13 0.05 -0.13 0.54 -0.31 0.00 0.00 175.10 175.39 2jov s VAL 21 N -0.44 1.06 -0.06 1.32 0.11 0.62 -4.88 120.40 118.14 2jov s VAL 21 Ca 0.01 -0.53 -0.30 0.00 -2.93 0.00 0.00 61.98 58.23 2jov s VAL 21 Cb -0.04 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2jov s VAL 21 CO 0.00 0.31 1.19 -2.16 -3.33 0.00 0.00 175.10 171.12 2jov s PRO 22 N 0.02 4.35 0.33 1.54 0.04 -1.26 -0.52 135.00 139.50 2jov s PRO 22 Ca -0.01 1.65 0.09 0.00 0.04 0.00 0.00 61.00 62.77 2jov s PRO 22 Cb -0.09 -3.57 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 2jov s PRO 22 CO 0.01 -0.45 0.06 0.14 0.04 0.00 0.00 177.00 176.80 2jov s VAL 23 N 2.26 2.86 0.34 -0.36 -7.23 0.86 -3.50 120.40 115.64 2jov s VAL 23 Ca 0.55 -1.86 0.01 0.00 -1.81 0.00 0.00 61.98 58.88 2jov s VAL 23 Cb -0.24 -2.87 -0.01 0.00 0.56 0.00 0.00 36.38 33.82 2jov s VAL 23 CO 0.21 -0.21 0.41 -1.59 -0.31 0.00 0.00 175.10 173.62 2jov s LYS 24 N -3.76 1.88 -0.12 4.82 -2.85 0.78 -1.85 119.74 118.64 2jov s LYS 24 Ca 0.36 -1.86 -0.02 0.00 -1.00 0.00 0.00 55.97 53.45 2jov s LYS 24 Cb -0.02 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.13 2jov s LYS 24 CO 0.21 -0.75 -0.04 -1.12 0.10 0.00 0.00 175.35 173.74 2jov s SER 25 N -3.29 4.82 0.17 0.03 0.01 -0.29 -1.01 113.70 114.14 2jov s SER 25 Ca 0.34 -0.05 -0.06 0.00 1.31 0.00 0.00 55.95 57.49 2jov s SER 25 Cb 0.00 -1.54 0.05 0.00 0.21 0.00 0.00 66.02 64.74 2jov s SER 25 CO 0.23 0.26 1.49 -0.55 0.41 0.00 0.00 173.24 175.09 2jov h ASN 26 N 6.00 0.77 -3.71 2.44 -1.07 -1.89 -3.45 115.58 114.67 2jov h ASN 26 Ca -0.40 -0.39 -0.68 0.00 0.07 0.00 0.00 56.30 54.91 2jov h ASN 26 Cb 1.19 -0.22 -0.20 0.00 -2.07 0.00 0.00 38.32 37.02 2jov h ASN 26 CO 0.58 1.13 -0.83 -0.54 0.07 0.00 0.00 177.43 177.84 2jov s LYS 27 N -4.14 1.58 0.32 4.14 1.02 -1.26 -5.05 119.74 116.34 2jov s LYS 27 Ca -0.09 -1.31 -0.29 0.00 0.02 0.00 0.00 55.97 54.30 2jov s LYS 27 Cb 0.11 -1.98 -0.10 0.00 -0.52 0.00 0.00 37.83 35.34 2jov s LYS 27 CO 0.86 0.45 1.30 -1.25 -0.92 0.00 0.00 175.35 175.79 2jov s PRO 28 N -2.21 4.37 0.46 -1.68 0.04 -1.26 -4.80 135.00 129.92 2jov s PRO 28 Ca 0.17 2.19 0.06 0.00 0.04 0.00 0.00 61.00 63.46 2jov s PRO 28 Cb -0.10 -3.08 -0.02 0.00 0.04 0.00 0.00 34.50 31.34 2jov s PRO 28 CO 0.08 -0.18 0.22 0.08 0.04 0.00 0.00 177.00 177.24 2jov s VAL 29 N -1.05 1.97 -0.13 -0.36 1.01 0.14 -4.82 120.40 117.16 2jov s VAL 29 Ca 0.49 -1.68 -0.10 0.00 0.00 0.00 0.00 61.98 60.70 2jov s VAL 29 Cb -0.39 -2.65 -0.05 0.00 0.00 0.00 0.00 36.38 33.29 2jov s VAL 29 CO 0.51 0.00 0.19 -1.61 0.00 0.00 0.00 175.10 174.19 2jov s GLU 30 N -4.01 3.82 0.65 2.72 2.02 -1.26 -0.11 118.70 122.53 2jov s GLU 30 Ca 0.34 -0.06 0.33 0.00 0.02 0.00 0.00 54.97 55.61 2jov s GLU 30 Cb 0.02 -3.29 1.84 0.00 0.10 0.00 0.00 34.13 32.79 2jov s GLU 30 CO 0.19 0.56 2.07 0.97 0.02 0.00 0.00 175.26 179.07 2jov h ILE 31 N 4.24 0.12 -0.42 -1.63 2.10 -1.92 -0.98 117.51 119.02 2jov h ILE 31 Ca -0.49 0.00 0.08 0.00 1.08 0.00 0.00 64.86 65.53 2jov h ILE 31 Cb 1.20 0.78 -0.02 0.00 -1.09 0.00 0.00 36.82 37.69 2jov h ILE 31 CO 0.66 0.00 0.29 0.28 -1.08 0.00 0.00 178.15 178.30 2jov h SER 32 N 0.00 0.19 -0.57 2.19 0.02 -1.97 -1.38 113.55 112.03 2jov h SER 32 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2jov h SER 32 Cb 0.49 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 63.00 2jov h SER 32 CO -0.00 0.12 0.00 0.29 -1.14 0.00 0.00 176.83 176.10 2jov n LYS 33 N -4.46 3.56 -0.19 3.45 5.02 -0.37 -4.45 118.16 120.71 2jov n LYS 33 Ca 0.06 -2.79 -0.07 0.00 -2.02 0.00 0.00 58.31 53.49 2jov n LYS 33 Cb 0.34 -1.82 0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2jov n LYS 33 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2jov h TRP 34 N 3.60 0.70 -0.26 2.13 4.06 -1.35 -0.60 115.95 124.24 2jov h TRP 34 Ca 0.00 0.02 -0.11 0.00 2.06 0.00 0.00 58.89 60.86 2jov h TRP 34 Cb 1.37 -0.24 -0.01 0.00 -1.00 0.00 0.00 29.16 29.28 2jov h TRP 34 CO 0.68 0.44 -0.29 0.97 -3.56 0.00 0.00 178.44 176.68 2jov h ILE 35 N 0.75 1.28 -0.33 1.49 2.10 -1.78 -0.67 117.51 120.34 2jov h ILE 35 Ca 0.20 -1.36 -0.08 0.00 1.08 0.00 0.00 64.86 64.70 2jov h ILE 35 Cb -0.08 1.40 -0.01 0.00 -1.09 0.00 0.00 36.82 37.04 2jov h ILE 35 CO -0.04 0.43 -0.11 -0.78 -1.08 0.00 0.00 178.15 176.57 2jov h ASP 36 N 0.45 0.66 -0.38 2.19 3.58 -1.74 0.20 116.42 121.39 2jov h ASP 36 Ca 0.06 -0.38 -0.16 0.00 0.42 0.00 0.00 57.03 56.97 2jov h ASP 36 Cb 0.74 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.60 2jov h ASP 36 CO 0.06 0.89 -0.40 -0.26 -2.88 0.00 0.00 179.24 176.65 2jov h PHE 37 N 0.42 1.13 -0.54 0.28 -1.00 -1.02 -2.33 116.94 113.88 2jov h PHE 37 Ca 0.08 -0.34 -0.02 0.00 2.81 0.00 0.00 57.97 60.50 2jov h PHE 37 Cb 0.62 -0.24 -0.03 0.00 3.61 0.00 0.00 35.95 39.91 2jov h PHE 37 CO 0.05 1.18 0.27 1.03 -1.61 0.00 0.00 178.31 179.23 2jov h SER 38 N 0.76 0.67 -0.50 2.17 0.87 -1.03 -0.22 113.55 116.27 2jov h SER 38 Ca 0.06 -0.05 0.03 0.00 -1.23 0.00 0.00 61.79 60.59 2jov h SER 38 Cb 0.99 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 62.75 2jov h SER 38 CO 0.10 0.56 0.29 -1.13 -0.53 0.00 0.00 176.83 176.12 2jov h ASN 39 N 0.75 0.46 -0.08 6.23 -0.73 -0.63 -1.52 115.58 120.07 2jov h ASN 39 Ca 0.19 0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.34 2jov h ASN 39 Cb 0.06 -0.09 -0.00 0.00 0.27 0.00 0.00 38.32 38.56 2jov h ASN 39 CO -0.03 0.32 -0.06 0.58 -0.37 0.00 0.00 177.43 177.88 2jov h VAL 40 N 0.58 1.35 -0.19 2.57 2.07 -0.82 -3.28 116.25 118.53 2jov h VAL 40 Ca 0.21 -1.14 -0.08 0.00 0.82 0.00 0.00 66.70 66.50 2jov h VAL 40 Cb 0.04 1.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2jov h VAL 40 CO -0.10 0.32 -0.24 -0.07 0.02 0.00 0.00 177.57 177.49 2jov h LEU 41 N -0.23 0.34 -0.22 2.57 3.38 -0.96 -2.15 115.31 118.05 2jov h LEU 41 Ca 0.02 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2jov h LEU 41 Cb 0.54 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.19 2jov h LEU 41 CO 0.02 0.59 0.00 -1.54 0.09 0.00 0.00 178.44 177.59 2jov n SER 42 N -4.15 0.26 -0.06 -0.43 3.41 -0.58 -1.66 113.62 110.40 2jov n SER 42 Ca -0.01 0.56 0.01 0.00 -0.26 0.00 0.00 58.87 59.17 2jov n SER 42 Cb 0.37 -0.62 0.02 0.00 -0.26 0.00 0.00 64.21 63.72 2jov n SER 42 CO 0.00 0.00 0.00 -2.11 -0.16 0.00 0.00 175.04 172.77 2jov n ARG 43 N -1.78 2.97 -3.98 4.33 1.85 -0.96 -5.02 116.66 114.07 2jov n ARG 43 Ca 0.04 -1.57 -0.35 0.00 -1.00 0.00 0.00 57.85 54.97 2jov n ARG 43 Cb 0.22 -1.03 -0.11 0.00 -1.05 0.00 0.00 32.46 30.49 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 -1.02 3.67 -0.40 2.89 2.96 -0.67 -5.06 118.68 121.06 2jov s LEU 44 Ca 0.03 -0.01 0.03 0.00 -0.22 0.00 0.00 54.13 53.96 2jov s LEU 44 Cb 0.01 -1.94 0.11 0.00 0.50 0.00 0.00 46.19 44.87 2jov s LEU 44 CO 0.02 0.12 0.12 -0.31 -1.32 0.00 0.00 176.35 174.97 2jov s TYR 45 N 0.72 3.59 -0.06 5.38 1.51 -1.26 -4.28 117.35 122.95 2jov s TYR 45 Ca 0.03 -3.02 0.02 0.00 -1.01 0.00 0.00 57.07 53.09 2jov s TYR 45 Cb -0.13 -2.92 -0.03 0.00 -0.11 0.00 0.00 41.96 38.76 2jov s TYR 45 CO 0.02 -0.89 -0.08 0.08 -1.11 0.00 0.00 175.55 173.56 2jov s VAL 46 N 0.57 3.56 0.00 0.71 1.01 -1.24 -4.73 120.40 120.29 2jov s VAL 46 Ca 0.13 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.54 2jov s VAL 46 Cb -0.21 -2.45 0.00 0.00 0.00 0.00 0.00 36.38 33.72 2jov s VAL 46 CO -0.06 0.58 0.00 0.61 0.00 0.00 0.00 175.10 176.23 2jov n GLY 47 N 2.17 3.92 2.85 4.51 0.00 -1.24 -1.53 105.19 115.87 2jov n GLY 47 Ca -0.18 -0.77 -0.08 0.00 0.00 0.00 0.00 46.02 45.00 2jov n GLY 47 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2jov n VAL 48 N 0.00-11.10 -1.65 1.61 0.31 -1.25 -4.86 118.33 101.39 2jov n VAL 48 Ca 0.00 0.89 -0.44 0.00 -0.01 0.00 0.00 64.34 64.78 2jov n VAL 48 Cb 0.00 -7.31 -0.04 0.00 -0.91 0.00 0.00 33.84 25.59 2jov n VAL 48 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2jov n PRO 49 N -0.31 2.53 -3.02 5.55 -0.02 -1.26 -4.94 135.00 133.52 2jov n PRO 49 Ca 0.12 0.90 -0.10 0.00 -2.02 0.00 0.00 63.50 62.40 2jov n PRO 49 Cb 0.46 -2.94 -0.03 0.00 -0.02 0.00 0.00 33.50 30.97 2jov n PRO 49 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2jov n THR 50 N 5.80 0.00 -2.20 3.45 -2.24 -1.07 -4.01 114.28 114.00 2jov n THR 50 Ca 0.23 -1.07 -0.19 0.00 -2.27 0.00 0.00 64.05 60.75 2jov n THR 50 Cb 0.38 0.47 0.11 0.00 -2.10 0.00 0.00 70.33 69.19 2jov n THR 50 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2jov n LYS 51 N -0.34 -0.31 -2.11 -0.78 5.02 -1.26 0.86 118.16 119.24 2jov n LYS 51 Ca 0.01 -1.83 -0.41 0.00 -2.02 0.00 0.00 58.31 54.06 2jov n LYS 51 Cb 0.27 -0.68 -0.03 0.00 -0.02 0.00 0.00 35.03 34.57 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 -4.22 6.77 0.00 4.39 0.15 -1.25 -3.35 113.70 116.19 2jov s SER 52 Ca 0.51 2.52 0.00 0.00 0.70 0.00 0.00 55.95 59.69 2jov s SER 52 Cb -0.02 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.67 2jov s SER 52 CO 0.35 -0.63 0.00 0.61 1.20 0.00 0.00 173.24 174.77 2jov n GLY 53 N 2.45 1.36 3.86 9.45 0.00 0.11 -4.96 105.19 117.46 2jov n GLY 53 Ca 0.07 -0.18 -0.36 0.00 0.00 0.00 0.00 46.02 45.55 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 -2.18 6.70 -0.33 1.61 2.20 -0.92 -4.88 114.94 117.13 2jov s ASN 54 Ca 0.00 0.85 -0.24 0.00 -0.94 0.00 0.00 52.86 52.53 2jov s ASN 54 Cb 0.00 -2.20 0.01 0.00 -2.00 0.00 0.00 41.25 37.05 2jov s ASN 54 CO 0.00 0.24 0.81 -0.69 -2.94 0.00 0.00 177.10 174.52 2jov s VAL 55 N -1.27 4.74 -0.14 3.54 1.01 -1.26 0.15 120.40 127.18 2jov s VAL 55 Ca 0.29 1.11 -0.11 0.00 0.00 0.00 0.00 61.98 63.26 2jov s VAL 55 Cb -0.15 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 2jov s VAL 55 CO 0.16 -0.34 0.13 0.58 0.00 0.00 0.00 175.10 175.63 2jov h VAL 56 N 5.67 0.49 -3.24 2.92 2.07 -0.69 -3.46 116.25 120.00 2jov h VAL 56 Ca -0.24 -1.44 -0.52 0.00 0.82 0.00 0.00 66.70 65.32 2jov h VAL 56 Cb 1.09 0.99 -0.38 0.00 -1.52 0.00 0.00 31.29 31.48 2jov h VAL 56 CO 0.91 0.16 -0.79 0.00 0.02 0.00 0.00 177.57 177.87 2jov s LYS 58 N 1.74 4.23 -1.35 0.00 2.20 -1.26 -0.33 119.74 124.97 2jov s LYS 58 Ca 0.03 -0.03 -0.04 0.00 -0.36 0.00 0.00 55.97 55.57 2jov s LYS 58 Cb -0.14 -3.43 0.02 0.00 -1.51 0.00 0.00 37.83 32.78 2jov s LYS 58 CO -0.08 0.25 0.83 0.09 -0.36 0.00 0.00 175.35 176.09 2jov n ASN 59 N 3.58 -2.39 -4.49 1.43 4.13 -0.59 -4.79 115.26 112.13 2jov n ASN 59 Ca -0.13 -0.77 -0.48 0.00 1.68 0.00 0.00 54.58 54.88 2jov n ASN 59 Cb 0.52 -4.22 -0.06 0.00 -1.54 0.00 0.00 39.78 34.48 2jov n ASN 59 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2jov n ILE 60 N -4.39 0.24 -2.41 2.41 3.06 -1.21 -0.04 119.36 117.02 2jov n ILE 60 Ca -0.21 -0.33 -0.14 0.00 -2.50 0.00 0.00 62.75 59.57 2jov n ILE 60 Cb 0.64 -1.95 0.00 0.00 0.54 0.00 0.00 39.64 38.87 2jov n ILE 60 CO 0.00 0.00 0.00 0.23 -2.50 0.00 0.00 176.55 174.28 2jov n MET 61 N 8.38 -1.73 -0.87 9.51 2.81 -1.26 -2.93 117.12 131.03 2jov n MET 61 Ca 0.38 0.66 0.00 0.00 -1.81 0.00 0.00 57.70 56.93 2jov n MET 61 Cb 0.30 -4.93 0.00 0.00 -0.71 0.00 0.00 33.22 27.88 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 -0.80 -1.82 -0.28 7.83 5.15 0.94 -4.86 115.26 121.42 2jov n ASN 62 Ca -0.14 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.83 2jov n ASN 62 Cb 0.61 -1.39 0.11 0.00 -0.53 0.00 0.00 39.78 38.59 2jov n ASN 62 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2jov h THR 63 N 0.00 1.05 0.00 -0.44 1.35 -1.67 -3.46 112.91 109.74 2jov h THR 63 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 2jov h THR 63 Cb 0.18 0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.67 2jov h THR 63 CO 0.00 0.16 0.00 0.61 -0.25 0.00 0.00 175.52 176.04 2jov n GLY 64 N -1.31 0.84 3.75 5.82 0.00 -1.26 -5.04 105.19 107.98 2jov n GLY 64 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 4.45 -0.43 1.61 1.01 -1.26 -4.72 120.40 119.06 2jov s VAL 65 Ca 0.00 1.80 -0.13 0.00 0.00 0.00 0.00 61.98 63.65 2jov s VAL 65 Cb 0.00 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.24 2jov s VAL 65 CO 0.00 0.44 0.31 -1.81 0.00 0.00 0.00 175.10 174.04 2jov s ASP 66 N -0.63 5.96 -0.59 3.32 1.11 -1.26 -1.54 116.67 123.03 2jov s ASP 66 Ca 0.39 -1.19 -0.27 0.00 0.18 0.00 0.00 52.55 51.66 2jov s ASP 66 Cb -0.23 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.66 2jov s ASP 66 CO 0.27 -0.53 1.50 -0.63 1.18 0.00 0.00 175.17 176.96 2jov s ILE 67 N 1.59 3.67 0.02 0.77 -1.09 0.55 -3.03 121.20 123.69 2jov s ILE 67 Ca 0.04 0.52 0.02 0.00 -2.23 0.00 0.00 60.65 59.00 2jov s ILE 67 Cb -0.22 -4.39 -0.04 0.00 -1.58 0.00 0.00 42.46 36.24 2jov s ILE 67 CO 0.07 -1.21 0.00 0.27 -1.23 0.00 0.00 174.94 172.84 2jov s ILE 68 N 6.65 4.12 0.09 2.92 -4.36 -0.18 0.08 121.20 130.53 2jov s ILE 68 Ca 0.53 -0.70 -0.16 0.00 -0.26 0.00 0.00 60.65 60.06 2jov s ILE 68 Cb -0.11 -2.87 -0.07 0.00 1.25 0.00 0.00 42.46 40.66 2jov s ILE 68 CO 0.23 0.31 0.53 0.00 0.24 0.00 0.00 174.94 176.25 2jov n THR 70 N 1.31 1.37 -3.70 0.00 5.66 -1.23 0.05 114.28 117.74 2jov n THR 70 Ca -0.09 -1.49 -0.36 0.00 -3.05 0.00 0.00 64.05 59.06 2jov n THR 70 Cb 0.51 0.21 -0.06 0.00 -1.55 0.00 0.00 70.33 69.44 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 -1.75 3.66 -0.69 1.09 2.47 -1.26 -4.52 119.74 118.75 2jov s LYS 71 Ca 0.14 0.08 -0.21 0.00 -1.56 0.00 0.00 55.97 54.42 2jov s LYS 71 Cb 0.12 -3.14 0.09 0.00 -1.46 0.00 0.00 37.83 33.44 2jov s LYS 71 CO 0.02 0.69 0.93 -0.80 0.16 0.00 0.00 175.35 176.35 2jov s ASN 72 N -1.34 6.26 -0.31 1.43 0.02 -1.26 -3.76 114.94 115.97 2jov s ASN 72 Ca 0.24 -1.30 -0.12 0.00 -1.02 0.00 0.00 52.86 50.66 2jov s ASN 72 Cb -0.14 -2.39 -0.03 0.00 0.02 0.00 0.00 41.25 38.71 2jov s ASN 72 CO 0.12 -1.29 0.24 -0.76 0.02 0.00 0.00 177.10 175.43 2jov s LEU 73 N 3.47 4.30 -0.64 0.60 1.43 0.25 -4.95 118.68 123.14 2jov s LEU 73 Ca 0.21 -0.21 -0.28 0.00 -1.03 0.00 0.00 54.13 52.83 2jov s LEU 73 Cb -0.16 -2.16 0.02 0.00 0.03 0.00 0.00 46.19 43.92 2jov s LEU 73 CO 0.06 -0.17 1.31 -2.84 0.23 0.00 0.00 176.35 174.94 2jov s PRO 74 N 1.78 3.30 0.00 1.29 0.02 -1.26 -2.60 135.00 137.53 2jov s PRO 74 Ca 0.07 0.13 0.00 0.00 0.02 0.00 0.00 61.00 61.23 2jov s PRO 74 Cb -0.17 -4.12 0.00 0.00 0.02 0.00 0.00 34.50 30.23 2jov s PRO 74 CO 0.11 -1.96 0.75 1.17 -0.33 0.00 0.00 177.00 176.73 2jov n LYS 75 N 8.87 0.00 0.00 5.54 3.00 -1.26 -4.58 118.16 129.74 2jov n LYS 75 Ca 0.08 0.30 0.00 0.00 -0.00 0.00 0.00 58.31 58.69 2jov n LYS 75 Cb 0.49 -1.27 0.00 0.00 0.00 0.00 0.00 35.03 34.25 2jov n LYS 75 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 2jov n ASP 76 N -1.41 0.00 -1.42 3.14 5.68 -1.26 -4.78 116.55 116.49 2jov n ASP 76 Ca 0.00 -1.00 -0.07 0.00 -0.50 0.00 0.00 54.79 53.22 2jov n ASP 76 Cb 0.00 0.00 0.04 0.00 -1.14 0.00 0.00 41.12 40.02 2jov n ASP 76 CO 0.00 0.00 0.00 -1.20 -1.33 0.00 0.00 177.20 174.67 2jov n SER 77 N 0.00 3.81 -4.55 -1.12 7.64 -1.26 -4.87 113.62 113.27 2jov n SER 77 Ca 0.00 -2.51 -0.40 0.00 1.01 0.00 0.00 58.87 56.97 2jov n SER 77 Cb 0.47 -0.70 -0.03 0.00 -1.01 0.00 0.00 64.21 62.94 2jov n SER 77 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jov s LEU 78 N -0.92 3.22 0.44 -3.43 2.96 -1.26 -4.98 118.68 114.71 2jov s LEU 78 Ca 0.16 -0.16 0.07 0.00 -0.22 0.00 0.00 54.13 53.98 2jov s LEU 78 Cb 0.13 -2.61 -0.02 0.00 0.50 0.00 0.00 46.19 44.19 2jov s LEU 78 CO 0.02 -1.96 0.32 -1.61 -1.32 0.00 0.00 176.35 171.80 2jov s GLU 79 N 6.04 2.38 -0.23 1.98 2.02 -1.26 -5.00 118.70 124.63 2jov s GLU 79 Ca 0.45 -1.73 0.01 0.00 0.02 0.00 0.00 54.97 53.72 2jov s GLU 79 Cb -0.09 -2.19 0.28 0.00 0.10 0.00 0.00 34.13 32.22 2jov s GLU 79 CO 0.18 -0.25 1.56 0.72 0.02 0.00 0.00 175.26 177.49 2jov n HIS 80 N -1.49 1.41 -3.84 1.61 8.25 -1.26 -4.77 115.22 115.14 2jov n HIS 80 Ca 0.01 -1.30 -0.34 0.00 -0.26 0.00 0.00 57.72 55.82 2jov n HIS 80 Cb 0.63 -0.65 -0.12 0.00 1.12 0.00 0.00 29.99 30.97 2jov n HIS 80 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2jov s HIS 81 N -1.55 3.57 0.18 4.41 5.04 -1.26 -4.75 115.29 120.93 2jov s HIS 81 Ca 0.27 -2.67 0.00 0.00 -1.54 0.00 0.00 55.06 51.11 2jov s HIS 81 Cb 0.22 -3.12 0.00 0.00 0.04 0.00 0.00 32.58 29.72 2jov s HIS 81 CO 0.04 -0.93 0.00 1.58 -2.34 0.00 0.00 174.74 173.09 2jov n HIS 82 N 4.20 -3.07 0.00 3.88 -0.00 -1.26 -5.16 115.22 113.80 2jov n HIS 82 Ca 0.02 0.59 0.00 0.00 0.46 0.00 0.00 57.72 58.79 2jov n HIS 82 Cb 0.40 1.74 0.00 0.00 -0.12 0.00 0.00 29.99 32.01 2jov n HIS 82 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2jov n HIS 83 N -2.89 0.00 0.97 1.57 -0.00 -1.26 -4.89 115.22 108.73 2jov n HIS 83 Ca 0.00 0.00 0.02 0.00 0.46 0.00 0.00 57.72 58.20 2jov n HIS 83 Cb 0.00 0.00 0.07 0.00 -0.12 0.00 0.00 29.99 29.94 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 -1.06 0.33 -0.73 1.57 -0.00 -1.26 -5.17 115.22 108.90 2jov n HIS 84 Ca 0.00 -0.12 0.00 0.00 0.46 0.00 0.00 57.72 58.06 2jov n HIS 84 Cb 0.00 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 29.76 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38