#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 0.92 0.02 2.03 5.65 -1.26 -5.13 115.29 117.52 2jov s HIS 2 Ca 0.00 -0.31 0.01 0.00 0.25 0.00 0.00 55.06 55.01 2jov s HIS 2 Cb 0.00 -0.82 -0.04 0.00 -1.18 0.00 0.00 32.58 30.54 2jov s HIS 2 CO 0.00 -0.27 0.07 0.15 -0.65 0.00 0.00 174.74 174.04 2jov s LYS 3 N 1.20 2.97 0.04 2.88 1.02 -1.26 -4.42 119.74 122.18 2jov s LYS 3 Ca -0.06 -0.56 0.03 0.00 0.02 0.00 0.00 55.97 55.40 2jov s LYS 3 Cb -0.14 -2.80 -0.02 0.00 -0.52 0.00 0.00 37.83 34.35 2jov s LYS 3 CO -0.02 0.62 -0.09 -0.51 -0.92 0.00 0.00 175.35 174.43 2jov s ASP 4 N -1.89 1.07 -0.23 2.83 1.01 0.02 -4.74 116.67 114.73 2jov s ASP 4 Ca 0.24 -0.51 -0.28 0.00 0.71 0.00 0.00 52.55 52.71 2jov s ASP 4 Cb -0.12 -0.00 -0.04 0.00 1.01 0.00 0.00 42.92 43.76 2jov s ASP 4 CO 0.16 -0.13 2.12 -0.63 0.21 0.00 0.00 175.17 176.90 2jov s ILE 5 N -1.19 3.11 -0.29 0.77 -1.09 -1.26 -0.08 121.20 121.17 2jov s ILE 5 Ca -0.06 0.11 -0.28 0.00 -2.23 0.00 0.00 60.65 58.18 2jov s ILE 5 Cb -0.09 -3.14 -0.03 0.00 -1.58 0.00 0.00 42.46 37.62 2jov s ILE 5 CO 0.01 -0.09 1.83 0.12 -1.23 0.00 0.00 174.94 175.59 2jov s PHE 6 N 7.86 1.75 -0.10 3.97 5.36 -1.26 -4.83 117.98 130.72 2jov s PHE 6 Ca 0.96 0.57 0.03 0.00 -0.96 0.00 0.00 56.93 57.52 2jov s PHE 6 Cb -0.31 -4.09 0.01 0.00 -0.34 0.00 0.00 43.02 38.29 2jov s PHE 6 CO 0.35 -3.18 -0.18 0.99 -1.46 0.00 0.00 175.22 171.74 2jov s THR 7 N 6.76 1.65 0.31 0.12 2.01 -1.26 -1.77 115.64 123.45 2jov s THR 7 Ca 0.82 -0.76 -0.13 0.00 0.31 0.00 0.00 61.69 61.93 2jov s THR 7 Cb -0.25 -1.47 0.02 0.00 0.01 0.00 0.00 72.50 70.81 2jov s THR 7 CO 0.34 0.47 0.60 -0.44 -0.69 0.00 0.00 174.62 174.90 2jov s SER 8 N 0.69 0.10 -0.15 3.53 0.01 -0.64 -5.02 113.70 112.22 2jov s SER 8 Ca -0.12 -1.03 0.01 0.00 1.31 0.00 0.00 55.95 56.11 2jov s SER 8 Cb -0.16 0.70 0.00 0.00 0.21 0.00 0.00 66.02 66.77 2jov s SER 8 CO 0.03 -1.35 -0.17 -0.69 0.41 0.00 0.00 173.24 171.47 2jov s VAL 9 N -3.39 2.51 0.19 3.43 1.01 -1.26 0.15 120.40 123.05 2jov s VAL 9 Ca 0.20 -0.82 0.06 0.00 0.00 0.00 0.00 61.98 61.42 2jov s VAL 9 Cb -0.03 -2.05 -0.04 0.00 0.00 0.00 0.00 36.38 34.27 2jov s VAL 9 CO 0.11 0.52 0.16 0.68 0.00 0.00 0.00 175.10 176.58 2jov s VAL 10 N 0.84 4.49 -0.31 2.92 -7.23 -0.57 -4.89 120.40 115.65 2jov s VAL 10 Ca -0.05 -1.18 -0.20 0.00 -1.81 0.00 0.00 61.98 58.73 2jov s VAL 10 Cb -0.15 -3.34 -0.01 0.00 0.56 0.00 0.00 36.38 33.44 2jov s VAL 10 CO -0.01 -0.19 0.64 -0.13 -0.31 0.00 0.00 175.10 175.10 2jov s ARG 11 N -3.36 3.86 -0.07 4.82 0.52 -1.26 -1.18 118.95 122.29 2jov s ARG 11 Ca 0.32 0.27 -0.00 0.00 -0.52 0.00 0.00 55.73 55.79 2jov s ARG 11 Cb -0.09 -3.74 -0.03 0.00 0.52 0.00 0.00 34.95 31.60 2jov s ARG 11 CO 0.24 -0.61 -0.03 0.08 0.02 0.00 0.00 175.30 175.01 2jov s VAL 12 N 2.64 4.05 0.26 3.52 1.01 0.12 -4.37 120.40 127.63 2jov s VAL 12 Ca 0.25 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.86 2jov s VAL 12 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2jov s VAL 12 CO 0.12 0.57 0.42 -0.13 0.00 0.00 0.00 175.10 176.08 2jov s ARG 13 N -0.96 3.47 0.00 2.72 0.52 0.18 -4.39 118.95 120.49 2jov s ARG 13 Ca 0.14 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 2jov s ARG 13 Cb -0.11 -2.81 0.00 0.00 0.52 0.00 0.00 34.95 32.55 2jov s ARG 13 CO 0.03 0.34 0.00 0.41 0.02 0.00 0.00 175.30 176.10 2jov n GLY 14 N -1.30 3.50 1.84 -3.53 0.00 -1.26 -3.13 105.19 101.30 2jov n GLY 14 Ca -0.07 -1.84 -0.09 0.00 0.00 0.00 0.00 46.02 44.03 2jov n GLY 14 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2jov n SER 15 N 0.00 5.47 -2.21 1.61 3.41 -1.26 -4.43 113.62 116.21 2jov n SER 15 Ca 0.00 -2.55 -0.27 0.00 -0.26 0.00 0.00 58.87 55.79 2jov n SER 15 Cb 0.00 -1.27 0.14 0.00 -0.26 0.00 0.00 64.21 62.82 2jov n SER 15 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2jov n LYS 16 N 1.82 2.34 0.00 4.33 -0.00 -1.26 -4.10 118.16 121.29 2jov n LYS 16 Ca 0.26 -2.95 0.00 0.00 -0.00 0.00 0.00 58.31 55.61 2jov n LYS 16 Cb 0.70 -2.16 0.00 0.00 -0.00 0.00 0.00 35.03 33.57 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 -0.97 0.00 -1.50 -1.58 3.00 -1.26 -3.92 118.16 111.93 2jov n LYS 17 Ca 0.58 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.67 2jov n LYS 17 Cb 1.27 0.00 0.15 0.00 0.00 0.00 0.00 35.03 36.46 2jov n LYS 17 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2jov n TYR 18 N 0.00 -3.93 -1.29 5.64 4.01 -1.26 -5.02 117.16 115.31 2jov n TYR 18 Ca 0.00 -0.93 0.00 0.00 -0.16 0.00 0.00 57.90 56.81 2jov n TYR 18 Cb 0.00 -0.77 0.00 0.00 -0.31 0.00 0.00 39.34 38.26 2jov n TYR 18 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 2jov n ASN 19 N -3.60 0.00 -3.82 7.72 3.02 -1.26 -4.84 115.26 112.47 2jov n ASN 19 Ca 0.13 -1.12 -0.12 0.00 -0.03 0.00 0.00 54.58 53.44 2jov n ASN 19 Cb 0.44 -0.02 -0.10 0.00 -0.61 0.00 0.00 39.78 39.49 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 0.00 0.06 -0.02 2.41 -7.23 -1.26 0.14 120.40 114.50 2jov s VAL 20 Ca 0.00 -0.47 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2jov s VAL 20 Cb 0.00 -0.45 0.02 0.00 0.56 0.00 0.00 36.38 36.50 2jov s VAL 20 CO 0.00 -0.26 -0.01 0.54 -0.31 0.00 0.00 175.10 175.06 2jov s VAL 21 N -1.01 0.21 -0.20 1.32 0.11 -0.32 -4.85 120.40 115.65 2jov s VAL 21 Ca -0.11 -0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.65 2jov s VAL 21 Cb -0.06 -0.25 -0.03 0.00 -1.53 0.00 0.00 36.38 34.52 2jov s VAL 21 CO 0.02 0.12 1.56 -2.84 -3.33 0.00 0.00 175.10 170.62 2jov s PRO 22 N 0.60 3.89 0.10 1.54 0.02 -1.26 -1.52 135.00 138.37 2jov s PRO 22 Ca -0.06 1.68 0.04 0.00 0.02 0.00 0.00 61.00 62.68 2jov s PRO 22 Cb -0.09 -3.99 -0.04 0.00 0.02 0.00 0.00 34.50 30.40 2jov s PRO 22 CO -0.01 -1.17 0.10 0.14 -0.33 0.00 0.00 177.00 175.73 2jov s VAL 23 N 4.82 4.53 0.14 3.83 -7.23 0.12 -2.17 120.40 124.45 2jov s VAL 23 Ca 0.69 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 60.02 2jov s VAL 23 Cb -0.25 -3.22 -0.04 0.00 0.56 0.00 0.00 36.38 33.43 2jov s VAL 23 CO 0.27 0.06 -0.01 -1.59 -0.31 0.00 0.00 175.10 173.53 2jov s LYS 24 N -2.58 0.98 -0.14 4.82 -2.85 0.85 -1.62 119.74 119.20 2jov s LYS 24 Ca 0.30 -1.45 -0.03 0.00 -1.00 0.00 0.00 55.97 53.79 2jov s LYS 24 Cb -0.12 -0.13 -0.03 0.00 -2.06 0.00 0.00 37.83 35.49 2jov s LYS 24 CO 0.22 -0.13 -0.04 -1.12 0.10 0.00 0.00 175.35 174.39 2jov s SER 25 N -3.11 4.78 0.13 0.03 0.01 -0.73 -1.27 113.70 113.54 2jov s SER 25 Ca 0.20 -0.11 0.24 0.00 1.31 0.00 0.00 55.95 57.60 2jov s SER 25 Cb 0.06 -1.68 0.92 0.00 0.21 0.00 0.00 66.02 65.53 2jov s SER 25 CO 0.01 0.21 1.74 -0.46 0.41 0.00 0.00 173.24 175.14 2jov n ASN 26 N 3.28 0.43 -4.45 2.44 6.94 -1.19 -4.64 115.26 118.06 2jov n ASN 26 Ca -0.18 0.57 -0.31 0.00 -0.02 0.00 0.00 54.58 54.64 2jov n ASN 26 Cb 0.53 -0.67 -0.13 0.00 -2.36 0.00 0.00 39.78 37.14 2jov n ASN 26 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2jov s LYS 27 N -3.11 2.20 -0.06 -3.83 -0.14 -1.26 -4.99 119.74 108.55 2jov s LYS 27 Ca 0.09 -0.90 -0.30 0.00 -1.36 0.00 0.00 55.97 53.51 2jov s LYS 27 Cb 0.13 -2.23 -0.05 0.00 -1.68 0.00 0.00 37.83 34.00 2jov s LYS 27 CO 0.47 0.57 1.62 -2.14 -0.76 0.00 0.00 175.35 175.10 2jov s PRO 28 N -1.15 4.19 0.03 -1.68 0.02 -1.26 -4.43 135.00 130.71 2jov s PRO 28 Ca 0.13 2.15 -0.01 0.00 0.02 0.00 0.00 61.00 63.29 2jov s PRO 28 Cb -0.10 -3.95 -0.04 0.00 0.02 0.00 0.00 34.50 30.42 2jov s PRO 28 CO 0.03 -0.83 0.21 0.08 -0.33 0.00 0.00 177.00 176.17 2jov s VAL 29 N 3.92 5.40 -0.03 3.83 1.01 0.88 -4.64 120.40 130.78 2jov s VAL 29 Ca 0.72 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 62.14 2jov s VAL 29 Cb -0.33 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.39 2jov s VAL 29 CO 0.28 0.22 1.80 -1.61 0.00 0.00 0.00 175.10 175.79 2jov s GLU 30 N -2.27 4.12 0.62 2.72 2.02 -1.26 -0.80 118.70 123.84 2jov s GLU 30 Ca 0.32 2.35 0.37 0.00 0.02 0.00 0.00 54.97 58.03 2jov s GLU 30 Cb -0.13 -4.07 2.05 0.00 0.10 0.00 0.00 34.13 32.07 2jov s GLU 30 CO 0.24 -0.95 2.27 -0.84 0.02 0.00 0.00 175.26 176.01 2jov h ILE 31 N 5.67 0.24 0.00 -1.63 3.07 -1.88 0.21 117.51 123.18 2jov h ILE 31 Ca -0.44 -0.10 0.00 0.00 1.55 0.00 0.00 64.86 65.87 2jov h ILE 31 Cb 1.20 1.08 0.00 0.00 -0.27 0.00 0.00 36.82 38.83 2jov h ILE 31 CO 0.95 0.01 0.00 0.28 -1.05 0.00 0.00 178.15 178.35 2jov h SER 32 N 0.00 0.00 -0.68 2.16 0.02 -1.93 -2.76 113.55 110.36 2jov h SER 32 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jov h SER 32 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 2jov h SER 32 CO 0.00 0.00 0.00 1.17 -1.14 0.00 0.00 176.83 176.86 2jov n LYS 33 N -2.54 2.98 -0.04 3.45 4.81 0.06 -4.42 118.16 122.47 2jov n LYS 33 Ca 0.02 -2.61 0.00 0.00 -0.87 0.00 0.00 58.31 54.85 2jov n LYS 33 Cb 0.26 -1.66 0.30 0.00 0.02 0.00 0.00 35.03 33.94 2jov n LYS 33 CO 0.00 0.00 0.00 0.11 1.17 0.00 0.00 177.40 178.68 2jov h TRP 34 N 4.05 0.62 -0.59 5.64 5.08 -1.61 -1.49 115.95 127.66 2jov h TRP 34 Ca 0.00 -0.04 -0.10 0.00 1.08 0.00 0.00 58.89 59.82 2jov h TRP 34 Cb 1.10 -0.19 -0.02 0.00 -3.00 0.00 0.00 29.16 27.06 2jov h TRP 34 CO 0.57 0.54 -0.04 -0.84 -1.28 0.00 0.00 178.44 177.38 2jov h ILE 35 N 0.60 1.27 -0.18 0.12 3.07 -1.84 -1.56 117.51 118.99 2jov h ILE 35 Ca 0.14 -1.20 -0.00 0.00 1.55 0.00 0.00 64.86 65.34 2jov h ILE 35 Cb 0.22 0.85 -0.01 0.00 -0.27 0.00 0.00 36.82 37.62 2jov h ILE 35 CO -0.00 0.43 0.09 -0.78 -1.05 0.00 0.00 178.15 176.84 2jov h ASP 36 N 0.96 0.22 -0.55 2.16 3.58 -1.60 -0.69 116.42 120.50 2jov h ASP 36 Ca 0.16 -0.09 -0.09 0.00 0.42 0.00 0.00 57.03 57.42 2jov h ASP 36 Cb 0.61 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 41.58 2jov h ASP 36 CO 0.04 0.25 -0.02 -0.26 -2.88 0.00 0.00 179.24 176.37 2jov h PHE 37 N 0.18 1.09 -0.85 0.28 -1.00 -1.35 -2.60 116.94 112.69 2jov h PHE 37 Ca 0.06 -0.20 -0.01 0.00 2.81 0.00 0.00 57.97 60.64 2jov h PHE 37 Cb 0.08 -0.28 -0.04 0.00 3.61 0.00 0.00 35.95 39.32 2jov h PHE 37 CO -0.04 0.99 0.51 0.77 -1.61 0.00 0.00 178.31 178.93 2jov h SER 38 N 0.88 1.03 -0.57 2.17 0.02 -1.01 0.66 113.55 116.73 2jov h SER 38 Ca 0.15 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2jov h SER 38 Cb 0.57 -0.26 -0.03 0.00 0.14 0.00 0.00 62.40 62.83 2jov h SER 38 CO 0.03 0.79 0.28 0.78 -1.14 0.00 0.00 176.83 177.57 2jov h ASN 39 N 1.18 0.74 -0.33 3.07 2.35 -0.92 -0.87 115.58 120.79 2jov h ASN 39 Ca 0.31 -0.13 -0.04 0.00 -0.55 0.00 0.00 56.30 55.89 2jov h ASN 39 Cb -0.04 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2jov h ASN 39 CO -0.06 0.65 0.04 0.58 -1.65 0.00 0.00 177.43 177.00 2jov h VAL 40 N 0.77 1.24 0.00 2.81 2.07 -1.01 -2.85 116.25 119.27 2jov h VAL 40 Ca 0.20 -0.85 -0.03 0.00 0.82 0.00 0.00 66.70 66.84 2jov h VAL 40 Cb 0.11 1.16 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 2jov h VAL 40 CO -0.03 0.28 -0.15 -0.07 0.02 0.00 0.00 177.57 177.62 2jov h LEU 41 N 0.37 0.00 0.00 2.57 3.38 -0.68 -1.52 115.31 119.44 2jov h LEU 41 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2jov h LEU 41 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2jov h LEU 41 CO 0.01 0.15 0.00 -1.20 0.09 0.00 0.00 178.44 177.49 2jov n SER 42 N -3.97 0.00 -0.38 -0.43 7.64 -0.35 -1.66 113.62 114.47 2jov n SER 42 Ca -0.02 -0.09 0.04 0.00 1.01 0.00 0.00 58.87 59.81 2jov n SER 42 Cb 0.24 -0.25 0.07 0.00 -1.01 0.00 0.00 64.21 63.26 2jov n SER 42 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2jov n ARG 43 N -1.25 1.51 -1.76 1.43 1.74 -0.58 -4.70 116.66 113.06 2jov n ARG 43 Ca 0.11 -1.43 -0.31 0.00 -0.77 0.00 0.00 57.85 55.45 2jov n ARG 43 Cb 0.15 -1.17 0.05 0.00 -1.02 0.00 0.00 32.46 30.47 2jov n ARG 43 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2jov n LEU 44 N 0.31 6.42 -4.56 0.55 7.94 -0.66 -4.94 117.00 122.06 2jov n LEU 44 Ca 0.06 -4.61 -0.32 0.00 -1.11 0.00 0.00 56.01 50.03 2jov n LEU 44 Cb 0.28 -0.71 -0.04 0.00 0.53 0.00 0.00 43.42 43.48 2jov n LEU 44 CO 0.05 1.81 1.46 -0.31 -1.11 0.00 0.00 177.39 179.29 2jov s TYR 45 N -3.75 1.77 0.16 1.96 1.51 -1.26 -4.94 117.35 112.79 2jov s TYR 45 Ca 0.57 0.65 0.06 0.00 -1.01 0.00 0.00 57.07 57.34 2jov s TYR 45 Cb 0.46 -4.09 -0.04 0.00 -0.11 0.00 0.00 41.96 38.18 2jov s TYR 45 CO -0.06 -2.01 0.05 0.54 -1.11 0.00 0.00 175.55 172.97 2jov s VAL 46 N 9.44 4.05 -0.35 0.71 0.11 -1.26 -4.89 120.40 128.22 2jov s VAL 46 Ca 0.68 -1.24 0.02 0.00 -2.93 0.00 0.00 61.98 58.51 2jov s VAL 46 Cb -0.09 -3.04 0.11 0.00 -1.53 0.00 0.00 36.38 31.82 2jov s VAL 46 CO 0.09 -0.08 0.10 -0.83 -3.33 0.00 0.00 175.10 171.04 2jov s GLY 47 N -2.93 1.68 -0.29 6.54 0.00 -1.26 -0.65 107.32 110.41 2jov s GLY 47 Ca 0.29 -2.32 -0.15 0.00 0.00 0.00 0.00 44.72 42.53 2jov s GLY 47 CO 0.20 1.21 0.95 0.54 0.00 0.00 0.00 173.10 176.00 2jov s VAL 48 N 0.99 -0.22 -0.11 1.40 0.11 -1.18 -4.86 120.40 116.53 2jov s VAL 48 Ca 0.12 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 58.87 2jov s VAL 48 Cb -0.19 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.62 2jov s VAL 48 CO -0.12 0.00 1.38 -2.84 -3.33 0.00 0.00 175.10 170.19 2jov s PRO 49 N 1.81 4.23 0.47 1.54 0.02 -1.26 -4.97 135.00 136.84 2jov s PRO 49 Ca -0.07 1.84 0.01 0.00 0.02 0.00 0.00 61.00 62.80 2jov s PRO 49 Cb -0.05 -3.79 -0.00 0.00 0.02 0.00 0.00 34.50 30.68 2jov s PRO 49 CO -0.16 -0.71 0.03 0.25 -0.33 0.00 0.00 177.00 176.08 2jov n THR 50 N 5.26 0.00 -3.58 0.99 -2.24 -1.26 -4.85 114.28 108.60 2jov n THR 50 Ca 0.14 -2.31 -0.22 0.00 -2.27 0.00 0.00 64.05 59.40 2jov n THR 50 Cb 0.44 0.53 -0.01 0.00 -2.10 0.00 0.00 70.33 69.19 2jov n THR 50 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2jov s LYS 51 N -3.71 2.44 0.03 -0.78 -2.85 -1.26 -0.89 119.74 112.72 2jov s LYS 51 Ca 0.04 -1.67 -0.30 0.00 -1.00 0.00 0.00 55.97 53.03 2jov s LYS 51 Cb 0.00 -2.34 -0.06 0.00 -2.06 0.00 0.00 37.83 33.37 2jov s LYS 51 CO 0.03 -0.38 1.42 -1.54 0.10 0.00 0.00 175.35 174.98 2jov s SER 52 N -4.23 6.82 0.00 0.03 1.04 -1.26 -2.94 113.70 113.17 2jov s SER 52 Ca 0.46 2.19 0.00 0.00 0.48 0.00 0.00 55.95 59.08 2jov s SER 52 Cb -0.03 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.52 2jov s SER 52 CO 0.27 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.38 2jov n GLY 53 N 3.65 1.20 3.70 7.32 0.00 0.74 -4.96 105.19 116.83 2jov n GLY 53 Ca 0.13 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 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 -2.49 6.81 -0.39 1.61 2.20 -1.02 -4.86 114.94 116.78 2jov s ASN 54 Ca 0.00 0.98 -0.23 0.00 -0.94 0.00 0.00 52.86 52.67 2jov s ASN 54 Cb 0.00 -2.36 0.01 0.00 -2.00 0.00 0.00 41.25 36.91 2jov s ASN 54 CO 0.00 -0.13 0.77 -0.69 -2.94 0.00 0.00 177.10 174.11 2jov s VAL 55 N 1.08 4.72 -0.06 3.54 1.01 -1.26 -1.13 120.40 128.31 2jov s VAL 55 Ca 0.32 0.68 -0.05 0.00 0.00 0.00 0.00 61.98 62.93 2jov s VAL 55 Cb -0.16 -4.24 -0.03 0.00 0.00 0.00 0.00 36.38 31.95 2jov s VAL 55 CO 0.13 -0.52 0.25 0.58 0.00 0.00 0.00 175.10 175.55 2jov h VAL 56 N 5.83 0.00 -3.41 2.92 2.07 -1.33 -3.45 116.25 118.89 2jov h VAL 56 Ca -0.25 -0.64 -0.56 0.00 0.82 0.00 0.00 66.70 66.07 2jov h VAL 56 Cb 1.09 0.00 -0.39 0.00 -1.52 0.00 0.00 31.29 30.47 2jov h VAL 56 CO 0.92 0.00 -0.77 0.00 0.02 0.00 0.00 177.57 177.74 2jov s LYS 58 N 1.64 4.51 -1.32 0.00 2.20 -1.26 -3.08 119.74 122.43 2jov s LYS 58 Ca -0.02 1.08 -0.06 0.00 -0.36 0.00 0.00 55.97 56.62 2jov s LYS 58 Cb -0.18 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.87 2jov s LYS 58 CO -0.09 0.52 1.11 0.09 -0.36 0.00 0.00 175.35 176.62 2jov n ASN 59 N 1.88 -4.91 -0.34 1.43 4.13 0.23 -4.87 115.26 112.82 2jov n ASN 59 Ca -0.06 -0.58 0.16 0.00 1.68 0.00 0.00 54.58 55.78 2jov n ASN 59 Cb 0.49 -4.99 0.37 0.00 -1.54 0.00 0.00 39.78 34.12 2jov n ASN 59 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2jov h ILE 60 N -2.43 0.65 -0.55 2.41 2.10 -1.69 -1.38 117.51 116.62 2jov h ILE 60 Ca -0.58 -0.22 -0.37 0.00 1.08 0.00 0.00 64.86 64.77 2jov h ILE 60 Cb 1.36 -0.06 -0.40 0.00 -1.09 0.00 0.00 36.82 36.62 2jov h ILE 60 CO 0.55 0.12 -0.97 0.80 -1.08 0.00 0.00 178.15 177.56 2jov n MET 61 N -4.75 2.50 -1.46 2.19 1.56 -1.26 -4.90 117.12 110.99 2jov n MET 61 Ca 0.24 -3.75 -0.16 0.00 -0.27 0.00 0.00 57.70 53.76 2jov n MET 61 Cb 0.66 -1.85 -0.07 0.00 2.15 0.00 0.00 33.22 34.10 2jov n MET 61 CO 0.00 0.00 0.00 -1.71 -0.73 0.00 0.00 175.97 173.53 2jov n ASN 62 N -0.63 -5.21 0.11 6.12 5.15 -0.52 -4.85 115.26 115.42 2jov n ASN 62 Ca 0.23 0.39 0.01 0.00 -0.60 0.00 0.00 54.58 54.62 2jov n ASN 62 Cb 0.88 -4.11 -0.01 0.00 -0.53 0.00 0.00 39.78 36.01 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 0.81 0.00 -0.44 1.35 -1.91 -3.47 112.91 109.25 2jov h THR 63 Ca -0.32 -2.22 0.00 0.00 -0.55 0.00 0.00 66.41 63.32 2jov h THR 63 Cb 1.14 2.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.90 2jov h THR 63 CO 0.48 0.46 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 2jov n GLY 64 N 1.27 0.55 3.82 5.82 0.00 -1.26 -5.00 105.19 110.39 2jov n GLY 64 Ca -0.01 -0.46 -0.38 0.00 0.00 0.00 0.00 46.02 45.17 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 4.98 -0.57 1.61 1.01 -1.26 -4.70 120.40 119.47 2jov s VAL 65 Ca 0.00 0.93 -0.18 0.00 0.00 0.00 0.00 61.98 62.73 2jov s VAL 65 Cb 0.00 -3.76 0.10 0.00 0.00 0.00 0.00 36.38 32.72 2jov s VAL 65 CO 0.00 0.55 0.65 -1.81 0.00 0.00 0.00 175.10 174.49 2jov s ASP 66 N -0.93 6.19 -0.63 3.32 1.11 -1.26 -0.60 116.67 123.86 2jov s ASP 66 Ca 0.25 -1.41 -0.27 0.00 0.18 0.00 0.00 52.55 51.30 2jov s ASP 66 Cb -0.17 -2.28 0.01 0.00 1.07 0.00 0.00 42.92 41.55 2jov s ASP 66 CO 0.14 -1.03 1.49 -0.63 1.18 0.00 0.00 175.17 176.32 2jov s ILE 67 N 2.49 3.65 -0.07 0.77 -1.09 -1.18 -3.17 121.20 122.60 2jov s ILE 67 Ca 0.10 0.46 0.03 0.00 -2.23 0.00 0.00 60.65 59.02 2jov s ILE 67 Cb -0.24 -4.46 -0.02 0.00 -1.58 0.00 0.00 42.46 36.15 2jov s ILE 67 CO 0.07 -1.33 -0.16 0.27 -1.23 0.00 0.00 174.94 172.56 2jov s ILE 68 N 6.72 2.85 0.03 2.92 -4.36 -0.40 -0.75 121.20 128.20 2jov s ILE 68 Ca 0.51 -0.78 -0.22 0.00 -0.26 0.00 0.00 60.65 59.90 2jov s ILE 68 Cb -0.10 -2.12 -0.06 0.00 1.25 0.00 0.00 42.46 41.43 2jov s ILE 68 CO 0.21 0.57 0.64 0.00 0.24 0.00 0.00 174.94 176.59 2jov n THR 70 N 2.53 0.03 -4.06 0.00 5.66 -0.92 -0.19 114.28 117.33 2jov n THR 70 Ca -0.06 -0.51 -0.36 0.00 -3.05 0.00 0.00 64.05 60.06 2jov n THR 70 Cb 0.51 1.27 -0.07 0.00 -1.55 0.00 0.00 70.33 70.48 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 -1.16 3.27 -0.05 1.09 2.20 -1.26 -4.50 119.74 119.33 2jov s LYS 71 Ca 0.17 -0.23 -0.20 0.00 -0.36 0.00 0.00 55.97 55.34 2jov s LYS 71 Cb 0.12 -3.05 -0.05 0.00 -1.51 0.00 0.00 37.83 33.35 2jov s LYS 71 CO 0.17 0.75 0.58 -0.80 -0.36 0.00 0.00 175.35 175.70 2jov s ASN 72 N -1.00 6.89 -0.24 1.43 0.02 -1.26 -4.45 114.94 116.33 2jov s ASN 72 Ca 0.15 1.06 -0.15 0.00 -1.02 0.00 0.00 52.86 52.90 2jov s ASN 72 Cb -0.12 -2.35 -0.04 0.00 0.02 0.00 0.00 41.25 38.76 2jov s ASN 72 CO 0.04 0.02 0.36 -0.76 0.02 0.00 0.00 177.10 176.77 2jov s LEU 73 N 0.29 4.10 0.13 0.60 2.01 -0.06 -4.95 118.68 120.79 2jov s LEU 73 Ca 0.31 0.37 -0.31 0.00 0.01 0.00 0.00 54.13 54.51 2jov s LEU 73 Cb -0.17 -2.42 -0.10 0.00 0.01 0.00 0.00 46.19 43.50 2jov s LEU 73 CO 0.15 -0.11 1.81 -2.84 1.01 0.00 0.00 176.35 176.38 2jov s PRO 74 N 1.61 4.14 0.38 1.29 0.02 -1.25 -4.21 135.00 136.98 2jov s PRO 74 Ca 0.16 2.58 0.20 0.00 0.02 0.00 0.00 61.00 63.96 2jov s PRO 74 Cb -0.15 -3.56 0.66 0.00 0.02 0.00 0.00 34.50 31.47 2jov s PRO 74 CO 0.08 -0.83 1.71 0.87 -0.33 0.00 0.00 177.00 178.51 2jov h LYS 75 N 8.45 0.00 -6.01 5.54 1.79 -1.90 -3.38 116.57 121.06 2jov h LYS 75 Ca -0.46 0.00 -0.60 0.00 -2.18 0.00 0.00 60.65 57.42 2jov h LYS 75 Cb 1.22 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 31.77 2jov h LYS 75 CO 0.95 0.33 0.53 -0.51 -1.08 0.00 0.00 179.45 179.68 2jov s ASP 76 N -6.34 6.61 -0.80 0.86 1.01 -1.26 -4.90 116.67 111.85 2jov s ASP 76 Ca 0.01 0.44 -0.02 0.00 0.71 0.00 0.00 52.55 53.69 2jov s ASP 76 Cb 0.10 -2.44 0.34 0.00 1.01 0.00 0.00 42.92 41.93 2jov s ASP 76 CO 0.68 -0.85 2.08 -1.54 0.21 0.00 0.00 175.17 175.74 2jov n SER 77 N 6.74 7.48 0.00 0.27 3.41 -1.26 -4.73 113.62 125.53 2jov n SER 77 Ca 0.06 -3.79 0.07 0.00 -0.26 0.00 0.00 58.87 54.95 2jov n SER 77 Cb 0.48 -1.07 0.35 0.00 -0.26 0.00 0.00 64.21 63.71 2jov n SER 77 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jov n LEU 78 N -0.48 0.00 -4.51 1.04 -0.00 -1.26 -4.43 117.00 107.35 2jov n LEU 78 Ca 0.54 0.25 -0.41 0.00 -0.00 0.00 0.00 56.01 56.40 2jov n LEU 78 Cb 0.30 -0.25 -0.01 0.00 -0.00 0.00 0.00 43.42 43.46 2jov n LEU 78 CO 0.53 -0.14 1.96 1.21 -0.00 0.00 0.00 177.39 180.96 2jov n GLU 79 N -1.25 2.94 0.01 1.47 2.13 -1.26 -4.30 120.64 120.37 2jov n GLU 79 Ca 0.07 -3.11 -0.00 0.00 0.66 0.00 0.00 57.16 54.78 2jov n GLU 79 Cb 0.10 -3.51 -0.00 0.00 0.27 0.00 0.00 31.44 28.30 2jov n GLU 79 CO 0.00 0.00 0.00 0.72 -0.41 0.00 0.00 177.13 177.44 2jov n HIS 80 N 9.06 0.00 0.00 4.31 8.25 -1.26 -5.03 115.22 130.54 2jov n HIS 80 Ca 0.49 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.95 2jov n HIS 80 Cb 0.46 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.56 2jov n HIS 80 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2jov n HIS 81 N -2.72 0.00 -4.27 4.41 8.25 -1.26 -4.63 115.22 115.00 2jov n HIS 81 Ca -0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.21 2jov n HIS 81 Cb 0.01 0.00 -0.17 0.00 1.12 0.00 0.00 29.99 30.95 2jov n HIS 81 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jov s HIS 82 N 0.00 1.32 -1.15 4.41 3.76 -1.26 -5.05 115.29 117.31 2jov s HIS 82 Ca 0.00 -0.53 -0.07 0.00 -0.15 0.00 0.00 55.06 54.31 2jov s HIS 82 Cb 0.00 -1.05 0.26 0.00 1.11 0.00 0.00 32.58 32.90 2jov s HIS 82 CO 0.00 -0.34 1.57 1.58 -0.85 0.00 0.00 174.74 176.70 2jov n HIS 83 N 4.26 2.88 0.00 1.40 -0.00 -1.26 -4.50 115.22 118.00 2jov n HIS 83 Ca -0.19 -2.80 0.00 0.00 0.46 0.00 0.00 57.72 55.18 2jov n HIS 83 Cb 0.51 -1.56 0.00 0.00 -0.12 0.00 0.00 29.99 28.82 2jov n HIS 83 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2jov n HIS 84 N 2.46 -0.10 0.00 1.57 8.25 -1.26 -5.31 115.22 120.83 2jov n HIS 84 Ca 0.31 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.77 2jov n HIS 84 Cb 0.35 0.13 0.00 0.00 1.12 0.00 0.00 29.99 31.59 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56