#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 0.20 -2.75 2.03 -0.00 -1.26 -4.99 115.22 108.45 2jov n HIS 2 Ca 0.00 -1.34 -0.43 0.00 -0.00 0.00 0.00 57.72 55.95 2jov n HIS 2 Cb 0.00 -0.23 -0.03 0.00 -0.00 0.00 0.00 29.99 29.72 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 -2.58 3.59 -0.03 -1.40 -0.14 -1.26 -4.04 119.74 113.88 2jov s LYS 3 Ca 0.38 0.29 0.07 0.00 -1.36 0.00 0.00 55.97 55.34 2jov s LYS 3 Cb 0.38 -3.92 -0.02 0.00 -1.68 0.00 0.00 37.83 32.58 2jov s LYS 3 CO -0.08 -1.27 -0.23 -0.51 -0.76 0.00 0.00 175.35 172.49 2jov s ASP 4 N 2.33 3.28 0.01 2.83 1.11 0.38 -4.68 116.67 121.93 2jov s ASP 4 Ca 0.40 -0.41 -0.30 0.00 0.18 0.00 0.00 52.55 52.43 2jov s ASP 4 Cb -0.09 -0.48 -0.07 0.00 1.07 0.00 0.00 42.92 43.34 2jov s ASP 4 CO 0.28 0.32 1.71 -0.63 1.18 0.00 0.00 175.17 178.04 2jov s ILE 5 N -0.62 3.27 -0.63 0.77 -1.09 -1.26 -0.16 121.20 121.48 2jov s ILE 5 Ca 0.10 0.49 -0.27 0.00 -2.23 0.00 0.00 60.65 58.74 2jov s ILE 5 Cb -0.10 -3.32 0.01 0.00 -1.58 0.00 0.00 42.46 37.47 2jov s ILE 5 CO -0.00 -0.03 1.50 0.12 -1.23 0.00 0.00 174.94 175.30 2jov s PHE 6 N 3.58 2.10 -0.09 3.97 5.36 -1.26 -4.92 117.98 126.72 2jov s PHE 6 Ca 0.76 0.39 0.02 0.00 -0.96 0.00 0.00 56.93 57.14 2jov s PHE 6 Cb -0.38 -4.38 0.01 0.00 -0.34 0.00 0.00 43.02 37.93 2jov s PHE 6 CO 0.33 -2.12 -0.15 -0.08 -1.46 0.00 0.00 175.22 171.73 2jov s THR 7 N 6.82 1.44 0.28 0.12 -1.32 -1.26 -1.95 115.64 119.77 2jov s THR 7 Ca 0.51 -0.63 -0.14 0.00 -1.21 0.00 0.00 61.69 60.22 2jov s THR 7 Cb -0.11 -1.31 0.01 0.00 -1.51 0.00 0.00 72.50 69.59 2jov s THR 7 CO 0.21 0.43 0.58 -0.44 -2.21 0.00 0.00 174.62 173.18 2jov s SER 8 N 0.79 -0.00 -0.24 8.08 0.01 -0.59 -5.00 113.70 116.74 2jov s SER 8 Ca -0.11 -0.94 -0.03 0.00 1.31 0.00 0.00 55.95 56.18 2jov s SER 8 Cb -0.16 0.67 0.01 0.00 0.21 0.00 0.00 66.02 66.75 2jov s SER 8 CO 0.02 -1.28 -0.04 -0.69 0.41 0.00 0.00 173.24 171.66 2jov s VAL 9 N -3.66 3.20 0.19 3.43 1.01 -1.26 -0.11 120.40 123.20 2jov s VAL 9 Ca 0.20 -0.77 0.06 0.00 0.00 0.00 0.00 61.98 61.46 2jov s VAL 9 Cb -0.03 -2.55 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2jov s VAL 9 CO 0.10 0.28 0.16 0.54 0.00 0.00 0.00 175.10 176.18 2jov s VAL 10 N 1.41 4.50 -0.57 2.92 0.11 0.15 -4.83 120.40 124.09 2jov s VAL 10 Ca 0.03 -1.18 -0.27 0.00 -2.93 0.00 0.00 61.98 57.63 2jov s VAL 10 Cb -0.16 -3.35 -0.00 0.00 -1.53 0.00 0.00 36.38 31.34 2jov s VAL 10 CO -0.03 -0.19 1.63 -0.60 -3.33 0.00 0.00 175.10 172.58 2jov s ARG 11 N -3.36 3.01 0.04 1.54 6.06 -1.26 -0.62 118.95 124.35 2jov s ARG 11 Ca 0.32 0.56 -0.25 0.00 -2.50 0.00 0.00 55.73 53.86 2jov s ARG 11 Cb -0.09 -4.25 -0.05 0.00 0.06 0.00 0.00 34.95 30.61 2jov s ARG 11 CO 0.24 -2.29 0.75 0.54 -2.50 0.00 0.00 175.30 172.05 2jov s VAL 12 N 7.40 4.76 0.42 7.11 0.11 -1.03 -4.25 120.40 134.92 2jov s VAL 12 Ca 0.60 1.60 0.02 0.00 -2.93 0.00 0.00 61.98 61.27 2jov s VAL 12 Cb -0.13 -4.10 -0.01 0.00 -1.53 0.00 0.00 36.38 30.61 2jov s VAL 12 CO 0.23 0.36 0.09 0.54 -3.33 0.00 0.00 175.10 172.99 2jov n ARG 13 N 2.85 0.69 0.00 1.54 1.74 -0.75 -4.35 116.66 118.38 2jov n ARG 13 Ca -0.03 -3.37 0.00 0.00 -0.77 0.00 0.00 57.85 53.68 2jov n ARG 13 Cb 0.50 1.46 0.00 0.00 -1.02 0.00 0.00 32.46 33.41 2jov n ARG 13 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2jov n GLY 14 N -0.69 -2.36 3.55 -0.13 0.00 -1.26 -3.45 105.19 100.86 2jov n GLY 14 Ca -0.11 -1.88 -0.39 0.00 0.00 0.00 0.00 46.02 43.64 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 -3.04 5.72 0.22 1.61 1.04 -1.26 -4.89 113.70 113.09 2jov s SER 15 Ca 0.00 -0.13 -0.21 0.00 0.48 0.00 0.00 55.95 56.09 2jov s SER 15 Cb 0.00 -2.55 0.07 0.00 0.10 0.00 0.00 66.02 63.65 2jov s SER 15 CO 0.00 -2.11 0.99 -1.59 0.98 0.00 0.00 173.24 171.50 2jov s LYS 16 N 6.37 1.48 0.06 4.02 0.00 -1.26 -4.43 119.74 125.98 2jov s LYS 16 Ca 0.52 -0.95 0.14 0.00 0.00 0.00 0.00 55.97 55.68 2jov s LYS 16 Cb -0.10 0.42 -0.15 0.00 0.00 0.00 0.00 37.83 38.00 2jov s LYS 16 CO 0.16 -0.69 0.91 -0.22 0.00 0.00 0.00 175.35 175.51 2jov h LYS 17 N 2.00 0.00 -7.64 1.78 1.63 -1.90 -3.47 116.57 108.96 2jov h LYS 17 Ca -0.28 0.00 -0.47 0.00 -0.85 0.00 0.00 60.65 59.05 2jov h LYS 17 Cb 1.22 0.00 0.11 0.00 -0.60 0.00 0.00 32.23 32.97 2jov h LYS 17 CO 0.36 0.47 0.41 0.71 -3.45 0.00 0.00 179.45 177.95 2jov s TYR 18 N -2.80 2.73 0.00 1.91 2.02 -1.26 -5.01 117.35 114.94 2jov s TYR 18 Ca -0.02 0.69 0.00 0.00 -0.37 0.00 0.00 57.07 57.37 2jov s TYR 18 Cb 0.08 -3.58 0.00 0.00 -0.40 0.00 0.00 41.96 38.06 2jov s TYR 18 CO 0.81 -1.94 0.00 -1.71 -1.57 0.00 0.00 175.55 171.14 2jov n ASN 19 N -3.41 1.77 -3.78 2.29 5.15 -1.26 -4.91 115.26 111.10 2jov n ASN 19 Ca 0.09 -0.17 -0.13 0.00 -0.60 0.00 0.00 54.58 53.77 2jov n ASN 19 Cb 0.61 0.69 -0.09 0.00 -0.53 0.00 0.00 39.78 40.45 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 2jov s VAL 20 N -1.05 0.05 -0.02 3.44 -7.23 -1.26 -2.47 120.40 111.87 2jov s VAL 20 Ca 0.00 -0.40 -0.00 0.00 -1.81 0.00 0.00 61.98 59.77 2jov s VAL 20 Cb 0.00 -0.53 0.02 0.00 0.56 0.00 0.00 36.38 36.43 2jov s VAL 20 CO 0.00 -0.22 0.02 0.54 -0.31 0.00 0.00 175.10 175.14 2jov s VAL 21 N -0.97 -0.04 0.25 1.32 0.11 0.21 -4.76 120.40 116.51 2jov s VAL 21 Ca -0.10 0.16 -0.30 0.00 -2.93 0.00 0.00 61.98 58.81 2jov s VAL 21 Cb -0.05 -0.06 -0.09 0.00 -1.53 0.00 0.00 36.38 34.65 2jov s VAL 21 CO 0.03 0.07 1.07 -2.16 -3.33 0.00 0.00 175.10 170.77 2jov s PRO 22 N 0.79 4.67 0.09 1.54 0.04 -1.26 -0.67 135.00 140.21 2jov s PRO 22 Ca -0.07 1.72 0.03 0.00 0.04 0.00 0.00 61.00 62.72 2jov s PRO 22 Cb -0.10 -3.23 -0.04 0.00 0.04 0.00 0.00 34.50 31.18 2jov s PRO 22 CO -0.02 0.24 -0.09 0.14 0.04 0.00 0.00 177.00 177.31 2jov s VAL 23 N -0.94 0.82 0.15 -0.36 -7.23 0.84 -3.84 120.40 109.85 2jov s VAL 23 Ca 0.45 -1.68 -0.04 0.00 -1.81 0.00 0.00 61.98 58.91 2jov s VAL 23 Cb -0.30 -1.38 -0.03 0.00 0.56 0.00 0.00 36.38 35.23 2jov s VAL 23 CO 0.38 -0.64 0.14 -1.59 -0.31 0.00 0.00 175.10 173.08 2jov s LYS 24 N -2.99 1.03 -0.03 4.82 -2.85 0.57 -1.55 119.74 118.74 2jov s LYS 24 Ca 0.06 -1.37 0.01 0.00 -1.00 0.00 0.00 55.97 53.67 2jov s LYS 24 Cb -0.01 0.29 -0.03 0.00 -2.06 0.00 0.00 37.83 36.02 2jov s LYS 24 CO -0.01 -0.33 -0.04 -1.54 0.10 0.00 0.00 175.35 173.52 2jov s SER 25 N -3.03 4.84 0.00 0.03 1.04 -0.82 -0.56 113.70 115.19 2jov s SER 25 Ca 0.23 -0.03 0.28 0.00 0.48 0.00 0.00 55.95 56.91 2jov s SER 25 Cb 0.06 -1.23 1.28 0.00 0.10 0.00 0.00 66.02 66.23 2jov s SER 25 CO 0.02 0.32 1.92 -0.46 0.98 0.00 0.00 173.24 176.03 2jov n ASN 26 N 1.83 0.00 -3.83 7.02 6.94 -0.96 -4.78 115.26 121.48 2jov n ASN 26 Ca -0.17 0.25 -0.14 0.00 -0.02 0.00 0.00 54.58 54.50 2jov n ASN 26 Cb 0.53 -0.41 -0.15 0.00 -2.36 0.00 0.00 39.78 37.38 2jov n ASN 26 CO 0.00 0.00 0.00 -0.75 -1.03 0.00 0.00 177.26 175.48 2jov s LYS 27 N -2.83 0.09 0.28 -3.83 2.47 -1.26 -4.97 119.74 109.69 2jov s LYS 27 Ca 0.19 0.06 -0.30 0.00 -1.56 0.00 0.00 55.97 54.36 2jov s LYS 27 Cb 0.18 -0.22 -0.12 0.00 -1.46 0.00 0.00 37.83 36.21 2jov s LYS 27 CO 0.47 -0.08 1.46 -2.30 0.16 0.00 0.00 175.35 175.07 2jov n PRO 28 N 3.67 2.33 -4.58 4.03 -0.02 -1.26 -4.61 135.00 134.56 2jov n PRO 28 Ca -0.21 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 61.79 2jov n PRO 28 Cb 0.54 -2.52 -0.12 0.00 -0.02 0.00 0.00 33.50 31.39 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 -0.29 2.95 0.19 -1.45 1.01 0.78 -4.75 120.40 118.84 2jov s VAL 29 Ca 0.64 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 61.16 2jov s VAL 29 Cb -0.57 -2.26 -0.08 0.00 0.00 0.00 0.00 36.38 33.47 2jov s VAL 29 CO 0.52 0.31 1.21 -1.61 0.00 0.00 0.00 175.10 175.54 2jov s GLU 30 N -1.53 4.48 0.00 2.72 8.01 -1.26 -0.47 118.70 130.64 2jov s GLU 30 Ca 0.16 1.90 0.09 0.00 0.01 0.00 0.00 54.97 57.13 2jov s GLU 30 Cb -0.11 -3.23 0.41 0.00 -4.31 0.00 0.00 34.13 26.89 2jov s GLU 30 CO 0.06 -0.11 1.27 0.44 0.01 0.00 0.00 175.26 176.94 2jov n ILE 31 N 2.50 1.25 0.16 -1.63 -5.35 -1.26 -1.10 119.36 113.93 2jov n ILE 31 Ca 0.04 0.31 0.01 0.00 -0.27 0.00 0.00 62.75 62.85 2jov n ILE 31 Cb 0.44 -1.15 0.33 0.00 -1.74 0.00 0.00 39.64 37.52 2jov n ILE 31 CO 0.00 0.00 0.00 0.28 -1.76 0.00 0.00 176.55 175.07 2jov h SER 32 N 0.00 0.08 1.15 7.28 0.02 -1.93 -2.65 113.55 117.50 2jov h SER 32 Ca 0.00 -0.03 0.00 0.00 -0.84 0.00 0.00 61.79 60.92 2jov h SER 32 Cb 0.14 -0.02 0.00 0.00 0.14 0.00 0.00 62.40 62.66 2jov h SER 32 CO 0.00 0.44 -0.59 0.11 -1.14 0.00 0.00 176.83 175.64 2jov h LYS 33 N 0.07 0.00 -0.68 3.45 1.57 -1.50 -3.38 116.57 116.09 2jov h LYS 33 Ca 0.01 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 2jov h LYS 33 Cb 0.68 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 32.90 2jov h LYS 33 CO 0.05 0.00 0.23 2.35 -0.57 0.00 0.00 179.45 181.51 2jov h TRP 34 N 0.00 0.38 -0.46 -1.35 7.01 -1.44 0.37 115.95 120.47 2jov h TRP 34 Ca 0.00 0.04 -0.01 0.00 2.11 0.00 0.00 58.89 61.03 2jov h TRP 34 Cb 0.87 -0.06 -0.02 0.00 -2.10 0.00 0.00 29.16 27.84 2jov h TRP 34 CO 0.00 0.03 0.26 0.97 -2.79 0.00 0.00 178.44 176.90 2jov h ILE 35 N 0.37 1.16 0.05 2.65 2.10 -1.74 0.23 117.51 122.32 2jov h ILE 35 Ca 0.37 -0.41 -0.23 0.00 1.08 0.00 0.00 64.86 65.67 2jov h ILE 35 Cb 0.54 0.60 -0.01 0.00 -1.09 0.00 0.00 36.82 36.85 2jov h ILE 35 CO -0.40 0.17 -1.08 -0.78 -1.08 0.00 0.00 178.15 174.99 2jov h ASP 36 N 0.60 0.20 -0.30 2.19 3.58 -1.61 -1.78 116.42 119.31 2jov h ASP 36 Ca 0.16 -0.20 0.04 0.00 0.42 0.00 0.00 57.03 57.45 2jov h ASP 36 Cb 0.05 -0.06 -0.04 0.00 1.72 0.00 0.00 39.33 40.99 2jov h ASP 36 CO -0.03 1.14 0.04 -0.26 -2.88 0.00 0.00 179.24 177.25 2jov h PHE 37 N 0.04 0.07 -0.53 0.28 -1.00 -0.08 0.88 116.94 116.59 2jov h PHE 37 Ca -0.06 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.73 2jov h PHE 37 Cb 1.81 0.01 -0.03 0.00 3.61 0.00 0.00 35.95 41.36 2jov h PHE 37 CO 0.03 0.00 0.32 0.77 -1.61 0.00 0.00 178.31 177.82 2jov h SER 38 N 0.14 0.65 -0.37 2.17 0.02 -0.87 -0.40 113.55 114.89 2jov h SER 38 Ca 0.14 -0.06 0.03 0.00 -0.84 0.00 0.00 61.79 61.06 2jov h SER 38 Cb 0.16 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 2jov h SER 38 CO -0.20 0.52 0.16 0.78 -1.14 0.00 0.00 176.83 176.95 2jov h ASN 39 N 0.72 0.22 -0.28 3.07 4.21 -0.76 0.33 115.58 123.08 2jov h ASN 39 Ca 0.19 0.03 -0.03 0.00 1.21 0.00 0.00 56.30 57.70 2jov h ASN 39 Cb -0.00 -0.01 -0.01 0.00 -1.12 0.00 0.00 38.32 37.18 2jov h ASN 39 CO -0.04 0.16 0.06 0.58 -1.29 0.00 0.00 177.43 176.91 2jov h VAL 40 N 0.34 1.22 -0.13 2.81 2.07 -0.63 -2.92 116.25 119.01 2jov h VAL 40 Ca 0.16 -0.74 -0.07 0.00 0.82 0.00 0.00 66.70 66.88 2jov h VAL 40 Cb 0.10 1.17 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 2jov h VAL 40 CO -0.14 0.24 -0.22 0.25 0.02 0.00 0.00 177.57 177.72 2jov h LEU 41 N 0.28 0.21 -1.92 2.57 5.85 -0.71 -1.39 115.31 120.20 2jov h LEU 41 Ca 0.09 -0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.75 2jov h LEU 41 Cb 0.30 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.28 2jov h LEU 41 CO 0.00 0.44 -0.03 0.28 -0.34 0.00 0.00 178.44 178.79 2jov h SER 42 N 0.20 0.00 -0.51 1.25 0.02 -0.18 -1.48 113.55 112.85 2jov h SER 42 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2jov h SER 42 Cb 0.51 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.05 2jov h SER 42 CO 0.03 0.03 0.00 0.54 -1.14 0.00 0.00 176.83 176.30 2jov n ARG 43 N -3.18 2.66 -3.64 3.45 1.74 -0.56 -4.75 116.66 112.37 2jov n ARG 43 Ca -0.01 -2.31 -0.37 0.00 -0.77 0.00 0.00 57.85 54.39 2jov n ARG 43 Cb 0.24 -1.43 -0.07 0.00 -1.02 0.00 0.00 32.46 30.18 2jov n ARG 43 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 2jov s LEU 44 N -1.06 5.53 -0.59 0.55 2.96 -0.56 -5.02 118.68 120.49 2jov s LEU 44 Ca 0.36 -3.40 -0.20 0.00 -0.22 0.00 0.00 54.13 50.68 2jov s LEU 44 Cb 0.19 -1.91 0.09 0.00 0.50 0.00 0.00 46.19 45.06 2jov s LEU 44 CO 0.25 -0.26 0.76 -0.31 -1.32 0.00 0.00 176.35 175.47 2jov s TYR 45 N -0.87 2.92 0.26 5.38 2.02 -1.26 -4.86 117.35 120.93 2jov s TYR 45 Ca 0.24 -0.77 0.11 0.00 -0.37 0.00 0.00 57.07 56.27 2jov s TYR 45 Cb -0.12 -4.01 -0.05 0.00 -0.40 0.00 0.00 41.96 37.38 2jov s TYR 45 CO -0.09 -1.35 -0.18 0.08 -1.57 0.00 0.00 175.55 172.44 2jov s VAL 46 N 3.05 2.25 0.00 0.71 1.01 -1.26 -4.88 120.40 121.28 2jov s VAL 46 Ca 0.15 -2.35 0.00 0.00 0.00 0.00 0.00 61.98 59.78 2jov s VAL 46 Cb -0.21 -2.22 0.00 0.00 0.00 0.00 0.00 36.38 33.95 2jov s VAL 46 CO 0.08 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.33 2jov n GLY 47 N -0.54 4.77 1.37 4.51 0.00 -1.22 -1.81 105.19 112.26 2jov n GLY 47 Ca -0.06 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.38 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 -7.11 -1.51 1.61 0.31 -1.24 -4.84 118.33 105.55 2jov n VAL 48 Ca 0.00 1.47 -0.49 0.00 -0.01 0.00 0.00 64.34 65.31 2jov n VAL 48 Cb 0.00 -3.93 -0.06 0.00 -0.91 0.00 0.00 33.84 28.94 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 0.83 1.39 -1.68 5.55 -0.02 -1.26 -4.94 135.00 134.86 2jov n PRO 49 Ca 0.00 0.40 -0.02 0.00 -2.02 0.00 0.00 63.50 61.85 2jov n PRO 49 Cb 0.00 -2.67 0.00 0.00 -0.02 0.00 0.00 33.50 30.81 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 7.12 0.00 -4.43 3.45 -2.24 -1.26 -4.82 114.28 112.10 2jov n THR 50 Ca 0.37 -0.20 -0.21 0.00 -2.27 0.00 0.00 64.05 61.73 2jov n THR 50 Cb 0.29 -0.49 -0.10 0.00 -2.10 0.00 0.00 70.33 67.92 2jov n THR 50 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 2jov s LYS 51 N -2.21 1.56 0.21 -0.78 1.02 -1.26 -0.87 119.74 117.41 2jov s LYS 51 Ca 0.03 -1.82 -0.31 0.00 0.02 0.00 0.00 55.97 53.89 2jov s LYS 51 Cb -0.00 -0.99 -0.11 0.00 -0.52 0.00 0.00 37.83 36.20 2jov s LYS 51 CO 0.02 -0.06 1.63 0.45 -0.92 0.00 0.00 175.35 176.47 2jov s SER 52 N -3.44 6.46 0.00 2.83 0.15 -1.26 -2.45 113.70 115.99 2jov s SER 52 Ca 0.32 2.79 0.00 0.00 0.70 0.00 0.00 55.95 59.76 2jov s SER 52 Cb 0.06 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2jov s SER 52 CO 0.13 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.28 2jov n GLY 53 N 3.45 0.84 3.73 9.45 0.00 0.36 -4.97 105.19 118.06 2jov n GLY 53 Ca 0.13 -0.40 -0.39 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.37 6.88 -0.54 1.61 2.20 -0.97 -4.87 114.94 116.88 2jov s ASN 54 Ca 0.00 1.05 -0.24 0.00 -0.94 0.00 0.00 52.86 52.73 2jov s ASN 54 Cb 0.00 -2.35 0.04 0.00 -2.00 0.00 0.00 41.25 36.94 2jov s ASN 54 CO 0.00 -0.00 0.90 -0.69 -2.94 0.00 0.00 177.10 174.37 2jov s VAL 55 N 0.40 4.46 -0.01 3.54 1.01 -1.26 0.03 120.40 128.57 2jov s VAL 55 Ca 0.31 0.22 -0.24 0.00 0.00 0.00 0.00 61.98 62.28 2jov s VAL 55 Cb -0.17 -4.50 -0.15 0.00 0.00 0.00 0.00 36.38 31.56 2jov s VAL 55 CO 0.15 -1.05 1.09 0.58 0.00 0.00 0.00 175.10 175.88 2jov h VAL 56 N 6.00 0.57 -3.22 2.92 2.07 -0.93 -3.43 116.25 120.23 2jov h VAL 56 Ca -0.26 -0.66 -0.51 0.00 0.82 0.00 0.00 66.70 66.09 2jov h VAL 56 Cb 1.08 0.85 -0.37 0.00 -1.52 0.00 0.00 31.29 31.33 2jov h VAL 56 CO 1.06 0.11 -0.80 0.00 0.02 0.00 0.00 177.57 177.97 2jov s LYS 58 N 1.65 3.46 -1.14 0.00 2.20 -1.26 -1.23 119.74 123.41 2jov s LYS 58 Ca 0.03 -0.23 -0.04 0.00 -0.36 0.00 0.00 55.97 55.37 2jov s LYS 58 Cb -0.13 -3.88 -0.03 0.00 -1.51 0.00 0.00 37.83 32.28 2jov s LYS 58 CO -0.07 -0.84 0.93 -1.71 -0.36 0.00 0.00 175.35 173.30 2jov n ASN 59 N 6.03 -4.16 -0.31 1.43 5.15 -0.57 -4.89 115.26 117.95 2jov n ASN 59 Ca -0.03 -0.70 0.15 0.00 -0.60 0.00 0.00 54.58 53.40 2jov n ASN 59 Cb 0.48 -4.97 0.32 0.00 -0.53 0.00 0.00 39.78 35.09 2jov n ASN 59 CO 0.00 0.00 0.00 -0.29 1.40 0.00 0.00 177.26 178.37 2jov h ILE 60 N -1.54 0.37 0.00 -1.44 2.10 -1.66 -2.22 117.51 113.12 2jov h ILE 60 Ca -0.60 -0.10 -0.07 0.00 1.08 0.00 0.00 64.86 65.16 2jov h ILE 60 Cb 1.33 0.05 -0.16 0.00 -1.09 0.00 0.00 36.82 36.95 2jov h ILE 60 CO 0.48 0.05 -0.69 0.23 -1.08 0.00 0.00 178.15 177.14 2jov n MET 61 N -5.14 0.86 -3.23 2.19 2.81 -1.26 -5.02 117.12 108.33 2jov n MET 61 Ca 0.23 -2.64 -0.10 0.00 -1.81 0.00 0.00 57.70 53.38 2jov n MET 61 Cb 0.72 -0.91 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 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 -0.43 -6.95 -0.18 7.83 2.85 -0.84 -4.95 115.26 112.58 2jov n ASN 62 Ca 0.13 -0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.41 2jov n ASN 62 Cb 0.87 -4.18 0.00 0.00 1.24 0.00 0.00 39.78 37.71 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 -2.11 0.00 0.00 177.26 176.22 2jov n THR 63 N -1.60 0.00 -2.89 -0.44 5.66 -1.26 -5.01 114.28 108.74 2jov n THR 63 Ca -0.06 0.00 -0.13 0.00 -3.05 0.00 0.00 64.05 60.81 2jov n THR 63 Cb 0.55 0.25 0.03 0.00 -1.55 0.00 0.00 70.33 69.62 2jov n THR 63 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2jov n GLY 64 N 0.00 0.07 2.97 1.09 0.00 -1.26 -5.03 105.19 103.03 2jov n GLY 64 Ca 0.00 -0.22 -0.28 0.00 0.00 0.00 0.00 46.02 45.52 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 -3.03 1.29 -0.25 1.61 1.01 -1.26 -4.68 120.40 115.09 2jov s VAL 65 Ca 0.25 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.61 2jov s VAL 65 Cb -0.11 -1.25 -0.04 0.00 0.00 0.00 0.00 36.38 34.98 2jov s VAL 65 CO 0.30 0.41 0.35 -1.81 0.00 0.00 0.00 175.10 174.35 2jov s ASP 66 N 1.51 6.27 -0.62 3.32 1.01 -1.26 -1.52 116.67 125.38 2jov s ASP 66 Ca 0.03 0.31 -0.23 0.00 0.71 0.00 0.00 52.55 53.37 2jov s ASP 66 Cb -0.13 -2.20 0.06 0.00 1.01 0.00 0.00 42.92 41.66 2jov s ASP 66 CO -0.08 -0.13 0.92 -0.63 0.21 0.00 0.00 175.17 175.46 2jov s ILE 67 N 1.78 4.40 -0.07 0.77 -1.09 -0.37 -2.27 121.20 124.35 2jov s ILE 67 Ca 0.15 -0.23 -0.00 0.00 -2.23 0.00 0.00 60.65 58.34 2jov s ILE 67 Cb -0.15 -4.61 -0.03 0.00 -1.58 0.00 0.00 42.46 36.09 2jov s ILE 67 CO 0.09 -1.30 -0.04 0.27 -1.23 0.00 0.00 174.94 172.73 2jov s ILE 68 N 3.86 3.93 0.06 2.92 -4.36 0.28 -0.19 121.20 127.70 2jov s ILE 68 Ca 0.23 -0.39 -0.09 0.00 -0.26 0.00 0.00 60.65 60.14 2jov s ILE 68 Cb -0.16 -2.62 -0.05 0.00 1.25 0.00 0.00 42.46 40.87 2jov s ILE 68 CO 0.12 0.60 0.36 0.00 0.24 0.00 0.00 174.94 176.27 2jov n THR 70 N 0.92 0.84 -3.58 0.00 5.66 -1.25 -0.48 114.28 116.39 2jov n THR 70 Ca -0.09 -0.90 -0.36 0.00 -3.05 0.00 0.00 64.05 59.65 2jov n THR 70 Cb 0.52 0.58 -0.07 0.00 -1.55 0.00 0.00 70.33 69.82 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 -0.84 4.17 -0.32 1.09 2.47 -1.26 -4.54 119.74 120.50 2jov s LYS 71 Ca 0.00 0.06 -0.20 0.00 -1.56 0.00 0.00 55.97 54.28 2jov s LYS 71 Cb 0.00 -3.40 -0.01 0.00 -1.46 0.00 0.00 37.83 32.97 2jov s LYS 71 CO 0.00 0.31 0.60 -0.80 0.16 0.00 0.00 175.35 175.62 2jov s ASN 72 N 0.26 6.44 -0.28 1.43 0.01 -1.26 -4.21 114.94 117.33 2jov s ASN 72 Ca 0.16 0.28 -0.14 0.00 -0.71 0.00 0.00 52.86 52.45 2jov s ASN 72 Cb -0.13 -2.32 -0.04 0.00 0.41 0.00 0.00 41.25 39.18 2jov s ASN 72 CO 0.04 -0.50 0.33 -0.76 -1.51 0.00 0.00 177.10 174.70 2jov s LEU 73 N 2.58 4.07 0.03 0.60 1.02 -0.05 -4.99 118.68 121.94 2jov s LEU 73 Ca 0.24 0.18 -0.33 0.00 0.02 0.00 0.00 54.13 54.24 2jov s LEU 73 Cb -0.15 -2.35 -0.11 0.00 0.02 0.00 0.00 46.19 43.59 2jov s LEU 73 CO 0.13 -0.17 1.84 -0.81 0.02 0.00 0.00 176.35 177.36 2jov n PRO 74 N 5.28 2.46 0.00 1.29 -0.04 -1.26 -4.12 135.00 138.61 2jov n PRO 74 Ca -0.10 0.90 0.00 0.00 -0.04 0.00 0.00 63.50 64.26 2jov n PRO 74 Cb 0.51 -2.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.20 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 6.00 0.00 -3.96 0.54 3.00 -1.26 -4.63 118.16 117.85 2jov n LYS 75 Ca 0.20 0.44 -0.32 0.00 -0.00 0.00 0.00 58.31 58.62 2jov n LYS 75 Cb 0.33 -1.19 -0.14 0.00 0.00 0.00 0.00 35.03 34.03 2jov n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2jov s ASP 76 N -2.37 4.86 -0.61 3.14 1.01 -1.26 -4.84 116.67 116.60 2jov s ASP 76 Ca 0.00 -2.03 -0.26 0.00 0.71 0.00 0.00 52.55 50.97 2jov s ASP 76 Cb 0.00 -1.67 -0.02 0.00 1.01 0.00 0.00 42.92 42.23 2jov s ASP 76 CO 0.00 -0.40 1.89 -0.55 0.21 0.00 0.00 175.17 176.32 2jov s SER 77 N 1.15 5.22 -0.97 0.27 0.15 -1.26 -4.90 113.70 113.36 2jov s SER 77 Ca 0.08 0.34 -0.24 0.00 0.70 0.00 0.00 55.95 56.84 2jov s SER 77 Cb -0.20 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.60 2jov s SER 77 CO -0.07 -2.42 1.61 -0.76 1.20 0.00 0.00 173.24 172.81 2jov s LEU 78 N 9.26 3.38 -0.33 3.45 1.43 -1.26 -4.87 118.68 129.74 2jov s LEU 78 Ca 0.69 -1.16 -0.00 0.00 -1.03 0.00 0.00 54.13 52.63 2jov s LEU 78 Cb -0.13 -2.57 0.11 0.00 0.03 0.00 0.00 46.19 43.63 2jov s LEU 78 CO 0.20 -1.92 0.12 -0.70 0.23 0.00 0.00 176.35 174.29 2jov s GLU 79 N 5.67 0.80 -0.02 1.70 -6.30 -1.26 -4.96 118.70 114.32 2jov s GLU 79 Ca 0.54 -1.23 0.11 0.00 -2.50 0.00 0.00 54.97 51.89 2jov s GLU 79 Cb -0.02 -2.01 0.34 0.00 0.00 0.00 0.00 34.13 32.43 2jov s GLU 79 CO -0.06 -1.02 1.28 1.58 0.02 0.00 0.00 175.26 177.05 2jov n HIS 80 N 4.61 0.53 -2.73 5.30 -0.00 -1.26 -5.00 115.22 116.66 2jov n HIS 80 Ca 0.00 -0.54 -0.25 0.00 -0.00 0.00 0.00 57.72 56.93 2jov n HIS 80 Cb 0.41 -0.06 0.02 0.00 -0.00 0.00 0.00 29.99 30.35 2jov n HIS 80 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2jov s HIS 81 N -1.20 3.27 0.62 1.57 3.76 -1.26 -5.11 115.29 116.94 2jov s HIS 81 Ca 0.26 0.44 0.07 0.00 -0.15 0.00 0.00 55.06 55.68 2jov s HIS 81 Cb 0.15 -2.47 0.10 0.00 1.11 0.00 0.00 32.58 31.47 2jov s HIS 81 CO 0.15 -0.52 0.86 -1.01 -0.85 0.00 0.00 174.74 173.37 2jov s HIS 82 N -2.73 1.40 0.11 1.40 3.76 -1.26 -5.02 115.29 112.94 2jov s HIS 82 Ca 0.50 -0.61 -0.22 0.00 -0.15 0.00 0.00 55.06 54.58 2jov s HIS 82 Cb -0.10 -2.45 -0.08 0.00 1.11 0.00 0.00 32.58 31.06 2jov s HIS 82 CO 0.41 -1.35 1.71 1.25 -0.85 0.00 0.00 174.74 175.91 2jov h HIS 83 N -0.05 -0.16 0.00 1.40 2.76 -2.04 -3.45 115.15 113.61 2jov h HIS 83 Ca -0.31 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 57.87 2jov h HIS 83 Cb 1.28 0.08 0.00 0.00 1.55 0.00 0.00 27.41 30.32 2jov h HIS 83 CO 0.23 -0.10 0.00 1.58 -1.30 0.00 0.00 177.93 178.33 2jov n HIS 84 N -5.19 -3.80 -1.76 5.26 -0.00 -1.26 -5.29 115.22 103.18 2jov n HIS 84 Ca -0.05 1.02 0.00 0.00 0.46 0.00 0.00 57.72 59.15 2jov n HIS 84 Cb 0.12 2.70 0.00 0.00 -0.12 0.00 0.00 29.99 32.69 2jov n HIS 84 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41