#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 -3.05 -1.58 3.17 -0.00 -1.26 -4.75 115.22 107.75 2jov n HIS 2 Ca 0.00 1.26 -0.31 0.00 -0.00 0.00 0.00 57.72 58.67 2jov n HIS 2 Cb 0.00 -3.10 0.05 0.00 -0.00 0.00 0.00 29.99 26.94 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 -2.35 2.85 0.04 -0.41 1.02 -1.26 -4.56 119.74 115.08 2jov s LYS 3 Ca 0.25 0.90 0.01 0.00 0.02 0.00 0.00 55.97 57.15 2jov s LYS 3 Cb -0.05 -1.98 -0.03 0.00 -0.52 0.00 0.00 37.83 35.25 2jov s LYS 3 CO 0.76 -1.14 -0.05 0.34 -0.92 0.00 0.00 175.35 174.33 2jov s ASP 4 N -3.83 0.58 -0.40 2.83 2.15 -0.31 -4.84 116.67 112.85 2jov s ASP 4 Ca 0.58 -0.61 -0.29 0.00 0.43 0.00 0.00 52.55 52.67 2jov s ASP 4 Cb -0.14 0.08 -0.00 0.00 -0.30 0.00 0.00 42.92 42.56 2jov s ASP 4 CO 0.55 -0.30 1.56 -0.63 -0.17 0.00 0.00 175.17 176.17 2jov s ILE 5 N -1.82 3.73 -0.54 4.11 -1.09 -1.26 -1.13 121.20 123.20 2jov s ILE 5 Ca -0.09 0.74 -0.26 0.00 -2.23 0.00 0.00 60.65 58.80 2jov s ILE 5 Cb -0.07 -4.02 -0.08 0.00 -1.58 0.00 0.00 42.46 36.71 2jov s ILE 5 CO -0.02 -0.67 2.43 0.33 -1.23 0.00 0.00 174.94 175.79 2jov n PHE 6 N 9.47 1.37 -3.96 3.97 7.35 -1.26 -4.73 117.46 129.66 2jov n PHE 6 Ca 0.19 0.11 -0.35 0.00 -0.76 0.00 0.00 57.45 56.64 2jov n PHE 6 Cb 0.48 -2.62 -0.14 0.00 0.35 0.00 0.00 39.48 37.54 2jov n PHE 6 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2jov s THR 7 N 12.46 3.23 0.00 -2.13 2.01 -1.26 -1.17 115.64 128.78 2jov s THR 7 Ca 0.99 -0.54 0.00 0.00 0.31 0.00 0.00 61.69 62.44 2jov s THR 7 Cb -0.20 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 69.85 2jov s THR 7 CO 0.25 0.44 0.00 -1.20 -0.69 0.00 0.00 174.62 173.42 2jov n SER 8 N 4.72 0.00 -4.10 3.53 7.64 -0.14 -4.97 113.62 120.30 2jov n SER 8 Ca -0.18 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.47 2jov n SER 8 Cb 0.51 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.55 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 -2.16 1.13 -0.01 0.44 0.11 -1.26 0.01 120.40 118.67 2jov s VAL 9 Ca 0.00 -0.59 0.02 0.00 -2.93 0.00 0.00 61.98 58.47 2jov s VAL 9 Cb 0.00 -0.96 -0.03 0.00 -1.53 0.00 0.00 36.38 33.86 2jov s VAL 9 CO 0.00 0.33 -0.02 0.54 -3.33 0.00 0.00 175.10 172.62 2jov s VAL 10 N -0.19 4.03 0.08 2.04 0.11 -0.09 -4.64 120.40 121.75 2jov s VAL 10 Ca 0.03 -0.60 -0.29 0.00 -2.93 0.00 0.00 61.98 58.18 2jov s VAL 10 Cb -0.07 -2.77 -0.05 0.00 -1.53 0.00 0.00 36.38 31.95 2jov s VAL 10 CO 0.00 0.41 0.92 -0.13 -3.33 0.00 0.00 175.10 172.97 2jov s ARG 11 N -1.43 4.64 0.13 1.54 0.52 -0.97 -2.40 118.95 120.97 2jov s ARG 11 Ca 0.18 1.35 0.09 0.00 -0.52 0.00 0.00 55.73 56.83 2jov s ARG 11 Cb -0.11 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.93 2jov s ARG 11 CO 0.08 0.20 -0.17 0.08 0.02 0.00 0.00 175.30 175.51 2jov s VAL 12 N 0.11 2.87 0.01 3.52 1.01 0.06 -2.46 120.40 125.52 2jov s VAL 12 Ca 0.45 -1.54 0.01 0.00 0.00 0.00 0.00 61.98 60.90 2jov s VAL 12 Cb -0.22 -2.33 -0.04 0.00 0.00 0.00 0.00 36.38 33.79 2jov s VAL 12 CO 0.28 0.07 0.04 -0.60 0.00 0.00 0.00 175.10 174.89 2jov s ARG 13 N -2.24 2.90 -0.85 2.72 3.52 0.21 -4.62 118.95 120.59 2jov s ARG 13 Ca 0.19 -0.58 -0.11 0.00 -0.13 0.00 0.00 55.73 55.10 2jov s ARG 13 Cb -0.10 -2.75 -0.08 0.00 -1.56 0.00 0.00 34.95 30.45 2jov s ARG 13 CO 0.11 0.62 2.02 0.41 -0.81 0.00 0.00 175.30 177.65 2jov n GLY 14 N 1.15 2.91 0.30 8.12 0.00 -1.26 -4.18 105.19 112.23 2jov n GLY 14 Ca -0.13 -0.98 0.10 0.00 0.00 0.00 0.00 46.02 45.01 2jov n GLY 14 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2jov n SER 15 N 5.34 0.90 -2.55 1.61 7.64 -1.26 -4.88 113.62 120.42 2jov n SER 15 Ca 0.45 -1.58 -0.07 0.00 1.01 0.00 0.00 58.87 58.69 2jov n SER 15 Cb 0.22 -0.06 0.02 0.00 -1.01 0.00 0.00 64.21 63.39 2jov n SER 15 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2jov n LYS 16 N -0.19 0.92 -2.88 1.43 -0.00 -1.26 -4.89 118.16 111.29 2jov n LYS 16 Ca 0.15 -1.81 -0.44 0.00 -0.00 0.00 0.00 58.31 56.21 2jov n LYS 16 Cb 0.21 2.28 0.00 0.00 -0.00 0.00 0.00 35.03 37.52 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 -0.47 3.67 -3.63 -1.58 4.81 -0.89 -4.87 118.16 115.20 2jov n LYS 17 Ca -0.07 -4.02 -0.06 0.00 -0.87 0.00 0.00 58.31 53.30 2jov n LYS 17 Cb 0.50 -2.81 -0.06 0.00 0.02 0.00 0.00 35.03 32.68 2jov n LYS 17 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2jov s TYR 18 N -0.12 -0.22 -0.20 5.64 5.04 -1.26 -4.62 117.35 121.61 2jov s TYR 18 Ca 0.37 0.48 0.12 0.00 -2.44 0.00 0.00 57.07 55.60 2jov s TYR 18 Cb 0.00 0.45 -0.22 0.00 0.35 0.00 0.00 41.96 42.54 2jov s TYR 18 CO 0.00 -0.14 0.04 0.09 -1.34 0.00 0.00 175.55 174.21 2jov n ASN 19 N 1.38 0.77 -4.05 4.32 4.13 -1.26 -4.35 115.26 116.20 2jov n ASN 19 Ca -0.09 0.00 -0.09 0.00 1.68 0.00 0.00 54.58 56.08 2jov n ASN 19 Cb 0.57 0.40 -0.09 0.00 -1.54 0.00 0.00 39.78 39.12 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 -2.51 0.12 -0.18 2.41 -7.23 -1.26 -0.76 120.40 110.98 2jov s VAL 20 Ca -0.18 -1.65 -0.17 0.00 -1.81 0.00 0.00 61.98 58.17 2jov s VAL 20 Cb 0.07 -1.81 0.05 0.00 0.56 0.00 0.00 36.38 35.25 2jov s VAL 20 CO 0.76 -0.52 0.50 0.54 -0.31 0.00 0.00 175.10 176.06 2jov s VAL 21 N -3.98 0.00 0.35 1.32 0.11 -1.01 -4.90 120.40 112.29 2jov s VAL 21 Ca 0.17 -0.00 -0.25 0.00 -2.93 0.00 0.00 61.98 58.97 2jov s VAL 21 Cb 0.06 -0.70 -0.10 0.00 -1.53 0.00 0.00 36.38 34.11 2jov s VAL 21 CO -0.02 -0.00 0.96 -2.16 -3.33 0.00 0.00 175.10 170.55 2jov s PRO 22 N 0.24 4.46 0.27 1.54 0.04 -1.26 -0.91 135.00 139.38 2jov s PRO 22 Ca -0.00 1.33 0.03 0.00 0.04 0.00 0.00 61.00 62.40 2jov s PRO 22 Cb -0.03 -2.66 -0.06 0.00 0.04 0.00 0.00 34.50 31.79 2jov s PRO 22 CO 0.01 0.16 0.04 0.14 0.04 0.00 0.00 177.00 177.39 2jov s VAL 23 N -1.71 1.00 0.26 -0.36 -7.23 0.10 -3.70 120.40 108.75 2jov s VAL 23 Ca 0.53 -2.02 0.01 0.00 -1.81 0.00 0.00 61.98 58.70 2jov s VAL 23 Cb -0.18 -2.59 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 2jov s VAL 23 CO 0.23 -0.12 0.22 -1.59 -0.31 0.00 0.00 175.10 173.52 2jov s LYS 24 N -3.91 1.46 -0.08 4.82 -2.85 0.79 -0.97 119.74 119.00 2jov s LYS 24 Ca 0.34 -1.76 -0.01 0.00 -1.00 0.00 0.00 55.97 53.55 2jov s LYS 24 Cb 0.07 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 36.12 2jov s LYS 24 CO 0.13 -0.52 -0.04 -1.54 0.10 0.00 0.00 175.35 173.47 2jov s SER 25 N -3.23 4.85 0.30 0.03 1.04 -0.32 -1.26 113.70 115.11 2jov s SER 25 Ca 0.38 0.02 0.05 0.00 0.48 0.00 0.00 55.95 56.88 2jov s SER 25 Cb 0.05 -1.33 0.46 0.00 0.10 0.00 0.00 66.02 65.29 2jov s SER 25 CO 0.18 0.35 1.72 -0.55 0.98 0.00 0.00 173.24 175.92 2jov h ASN 26 N 5.38 0.34 -3.84 7.02 -1.07 -1.93 -3.43 115.58 118.05 2jov h ASN 26 Ca -0.47 -0.13 -0.68 0.00 0.07 0.00 0.00 56.30 55.09 2jov h ASN 26 Cb 1.18 -0.09 -0.20 0.00 -2.07 0.00 0.00 38.32 37.14 2jov h ASN 26 CO 0.54 0.66 -0.80 -0.54 0.07 0.00 0.00 177.43 177.36 2jov s LYS 27 N -4.31 1.99 -0.00 4.14 1.02 -1.26 -5.09 119.74 116.23 2jov s LYS 27 Ca -0.05 -1.05 -0.30 0.00 0.02 0.00 0.00 55.97 54.59 2jov s LYS 27 Cb 0.14 -2.18 -0.07 0.00 -0.52 0.00 0.00 37.83 35.19 2jov s LYS 27 CO 0.78 0.52 1.81 -2.14 -0.92 0.00 0.00 175.35 175.39 2jov s PRO 28 N -1.74 4.16 0.13 -1.68 0.02 -1.26 -4.63 135.00 129.99 2jov s PRO 28 Ca 0.16 2.41 0.07 0.00 0.02 0.00 0.00 61.00 63.66 2jov s PRO 28 Cb -0.11 -4.04 -0.04 0.00 0.02 0.00 0.00 34.50 30.33 2jov s PRO 28 CO 0.08 -0.89 -0.07 0.54 -0.33 0.00 0.00 177.00 176.32 2jov s VAL 29 N 4.14 3.46 0.13 3.83 0.11 -0.28 -4.74 120.40 127.05 2jov s VAL 29 Ca 0.81 -1.34 -0.35 0.00 -2.93 0.00 0.00 61.98 58.16 2jov s VAL 29 Cb -0.38 -2.66 -0.15 0.00 -1.53 0.00 0.00 36.38 31.65 2jov s VAL 29 CO 0.36 0.03 1.43 -0.62 -3.33 0.00 0.00 175.10 172.97 2jov n GLU 30 N 0.42 1.59 0.29 1.54 -0.58 -1.26 -1.16 120.64 121.47 2jov n GLU 30 Ca -0.12 0.57 0.20 0.00 -0.42 0.00 0.00 57.16 57.39 2jov n GLU 30 Cb 0.53 -2.26 1.02 0.00 -0.57 0.00 0.00 31.44 30.17 2jov n GLU 30 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 2jov h ILE 31 N 3.40 0.00 -0.45 -3.67 3.07 -1.85 -1.62 117.51 116.39 2jov h ILE 31 Ca -0.46 -0.05 -0.04 0.00 1.55 0.00 0.00 64.86 65.86 2jov h ILE 31 Cb 1.30 0.93 -0.02 0.00 -0.27 0.00 0.00 36.82 38.76 2jov h ILE 31 CO 0.82 0.00 0.10 0.28 -1.05 0.00 0.00 178.15 178.30 2jov h SER 32 N 0.00 0.63 -0.58 2.16 0.02 -1.95 -2.50 113.55 111.33 2jov h SER 32 Ca 0.00 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 60.85 2jov h SER 32 Cb 0.05 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.43 2jov h SER 32 CO 0.00 0.63 0.00 0.29 -1.14 0.00 0.00 176.83 176.61 2jov n LYS 33 N -4.30 2.52 -0.32 3.45 5.02 -0.61 -3.81 118.16 120.11 2jov n LYS 33 Ca 0.03 -2.16 -0.04 0.00 -2.02 0.00 0.00 58.31 54.12 2jov n LYS 33 Cb 0.21 -1.52 0.10 0.00 -0.02 0.00 0.00 35.03 33.80 2jov n LYS 33 CO 0.00 0.00 0.00 2.35 -0.52 0.00 0.00 177.40 179.23 2jov h TRP 34 N 3.43 1.21 -0.31 2.13 7.01 -1.49 -1.25 115.95 126.68 2jov h TRP 34 Ca 0.00 -0.04 -0.16 0.00 2.11 0.00 0.00 58.89 60.80 2jov h TRP 34 Cb 0.87 -0.38 -0.00 0.00 -2.10 0.00 0.00 29.16 27.54 2jov h TRP 34 CO 0.44 0.85 -0.42 0.82 -2.79 0.00 0.00 178.44 177.34 2jov h ILE 35 N 1.23 1.28 0.30 2.65 2.04 -1.75 -2.68 117.51 120.58 2jov h ILE 35 Ca 0.30 -1.60 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 2jov h ILE 35 Cb 0.06 1.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.68 2jov h ILE 35 CO -0.05 0.52 -0.27 0.44 0.00 0.00 0.00 178.15 178.80 2jov h ASP 36 N 0.62 -0.72 -0.45 1.72 3.32 -1.66 0.49 116.42 119.74 2jov h ASP 36 Ca 0.04 0.06 -0.11 0.00 0.02 0.00 0.00 57.03 57.03 2jov h ASP 36 Cb 1.01 0.24 -0.02 0.00 0.22 0.00 0.00 39.33 40.79 2jov h ASP 36 CO 0.10 -0.40 -0.15 -0.26 -1.72 0.00 0.00 179.24 176.81 2jov h PHE 37 N -0.59 1.05 -0.05 4.55 0.04 -1.30 -1.96 116.94 118.68 2jov h PHE 37 Ca -0.02 -0.22 -0.10 0.00 2.80 0.00 0.00 57.97 60.43 2jov h PHE 37 Cb 0.53 -0.26 -0.01 0.00 2.20 0.00 0.00 35.95 38.42 2jov h PHE 37 CO -0.16 1.01 -0.44 0.66 -0.60 0.00 0.00 178.31 178.78 2jov h SER 38 N 0.82 0.11 -0.09 2.17 4.64 -1.41 0.87 113.55 120.66 2jov h SER 38 Ca 0.12 -0.05 -0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2jov h SER 38 Cb 0.70 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2jov h SER 38 CO 0.05 0.54 -0.02 -1.13 -0.87 0.00 0.00 176.83 175.40 2jov h ASN 39 N 0.09 0.27 0.11 4.97 -1.24 -0.33 -1.62 115.58 117.82 2jov h ASN 39 Ca 0.00 -0.04 -0.14 0.00 0.71 0.00 0.00 56.30 56.84 2jov h ASN 39 Cb 0.81 -0.07 0.02 0.00 0.73 0.00 0.00 38.32 39.81 2jov h ASN 39 CO 0.06 0.34 -0.62 0.58 -1.29 0.00 0.00 177.43 176.50 2jov h VAL 40 N 0.29 1.58 0.00 2.57 2.07 -0.62 -3.31 116.25 118.83 2jov h VAL 40 Ca 0.07 -2.49 -0.02 0.00 0.82 0.00 0.00 66.70 65.08 2jov h VAL 40 Cb 0.23 3.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.24 2jov h VAL 40 CO 0.01 0.69 -0.08 -0.07 0.02 0.00 0.00 177.57 178.14 2jov h LEU 41 N -0.52 0.00 0.00 2.57 3.38 -0.64 0.60 115.31 120.70 2jov h LEU 41 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2jov h LEU 41 Cb 1.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.24 2jov h LEU 41 CO 0.12 0.08 -0.09 0.77 0.09 0.00 0.00 178.44 179.40 2jov h SER 42 N 0.00 0.00 0.05 -0.43 4.64 -1.42 -2.56 113.55 113.84 2jov h SER 42 Ca -0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2jov h SER 42 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 2jov h SER 42 CO 0.01 0.00 -1.08 -1.14 -0.87 0.00 0.00 176.83 173.76 2jov n ARG 43 N -2.88 0.08 -3.25 4.77 3.00 -0.20 -4.85 116.66 113.35 2jov n ARG 43 Ca 0.04 -0.02 -0.38 0.00 -0.00 0.00 0.00 57.85 57.49 2jov n ARG 43 Cb 0.51 -1.51 -0.06 0.00 0.00 0.00 0.00 32.46 31.40 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 -3.20 4.50 -0.29 6.15 2.96 0.03 -5.06 118.68 123.77 2jov s LEU 44 Ca 0.06 1.28 -0.00 0.00 -0.22 0.00 0.00 54.13 55.25 2jov s LEU 44 Cb 0.16 -3.02 0.09 0.00 0.50 0.00 0.00 46.19 43.92 2jov s LEU 44 CO 0.86 0.23 0.07 -0.31 -1.32 0.00 0.00 176.35 175.88 2jov s TYR 45 N -1.18 1.87 -0.05 5.38 1.51 -1.25 -3.78 117.35 119.86 2jov s TYR 45 Ca 0.31 -1.73 0.01 0.00 -1.01 0.00 0.00 57.07 54.66 2jov s TYR 45 Cb -0.19 -1.71 -0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2jov s TYR 45 CO 0.20 -0.83 -0.05 0.14 -1.11 0.00 0.00 175.55 173.89 2jov s VAL 46 N 1.56 3.82 -1.18 0.71 -7.23 -1.03 -4.75 120.40 112.30 2jov s VAL 46 Ca 0.06 -0.53 0.11 0.00 -1.81 0.00 0.00 61.98 59.82 2jov s VAL 46 Cb -0.18 -2.61 0.03 0.00 0.56 0.00 0.00 36.38 34.19 2jov s VAL 46 CO -0.19 0.53 0.75 0.61 -0.31 0.00 0.00 175.10 176.48 2jov n GLY 47 N 1.96 -0.18 3.69 2.32 0.00 -1.26 -0.61 105.19 111.10 2jov n GLY 47 Ca -0.17 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.09 2jov n GLY 47 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2jov n VAL 48 N 0.09 0.31 -2.81 1.61 0.24 -1.26 -4.16 118.33 112.35 2jov n VAL 48 Ca 0.05 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.34 61.87 2jov n VAL 48 Cb 0.26 -2.02 0.01 0.00 -1.47 0.00 0.00 33.84 30.61 2jov n VAL 48 CO 0.00 0.00 0.00 -0.81 -2.14 0.00 0.00 176.83 173.88 2jov n PRO 49 N 5.31 4.44 -2.30 7.34 -0.04 -1.26 -4.89 135.00 143.60 2jov n PRO 49 Ca 0.18 -4.35 -0.24 0.00 -0.04 0.00 0.00 63.50 59.06 2jov n PRO 49 Cb 0.35 -2.59 0.14 0.00 -0.04 0.00 0.00 33.50 31.36 2jov n PRO 49 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2jov n THR 50 N 1.55 0.00 -3.01 0.52 -2.24 -1.26 -4.62 114.28 105.22 2jov n THR 50 Ca 0.32 -1.35 -0.06 0.00 -2.27 0.00 0.00 64.05 60.68 2jov n THR 50 Cb 0.33 -1.08 0.02 0.00 -2.10 0.00 0.00 70.33 67.50 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 -3.00 0.86 -2.07 -0.78 4.01 -1.26 -0.92 118.16 115.00 2jov n LYS 51 Ca 0.16 -1.05 -0.38 0.00 -0.51 0.00 0.00 58.31 56.53 2jov n LYS 51 Cb 0.56 -0.08 0.01 0.00 -0.51 0.00 0.00 35.03 35.01 2jov n LYS 51 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2jov s SER 52 N -2.21 5.86 0.00 4.39 0.15 -1.26 -3.55 113.70 117.09 2jov s SER 52 Ca 0.20 2.50 0.00 0.00 0.70 0.00 0.00 55.95 59.36 2jov s SER 52 Cb -0.02 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.68 2jov s SER 52 CO 0.13 -1.14 0.00 0.61 1.20 0.00 0.00 173.24 174.04 2jov n GLY 53 N 0.57 0.52 3.75 9.45 0.00 0.84 -4.96 105.19 115.36 2jov n GLY 53 Ca 0.08 -0.82 -0.35 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.96 6.05 -0.34 1.61 2.20 -0.92 -4.89 114.94 115.69 2jov s ASN 54 Ca 0.00 0.26 -0.29 0.00 -0.94 0.00 0.00 52.86 51.89 2jov s ASN 54 Cb 0.00 -2.00 0.02 0.00 -2.00 0.00 0.00 41.25 37.26 2jov s ASN 54 CO 0.00 0.27 1.12 -0.69 -2.94 0.00 0.00 177.10 174.86 2jov s VAL 55 N -0.17 4.40 -0.18 3.54 1.01 -1.26 -0.01 120.40 127.73 2jov s VAL 55 Ca 0.09 1.59 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 2jov s VAL 55 Cb -0.12 -4.41 -0.18 0.00 0.00 0.00 0.00 36.38 31.67 2jov s VAL 55 CO 0.01 -0.57 0.29 0.58 0.00 0.00 0.00 175.10 175.40 2jov h VAL 56 N 5.85 0.97 -3.56 2.92 2.07 -0.77 -3.46 116.25 120.28 2jov h VAL 56 Ca -0.22 -2.03 -0.59 0.00 0.82 0.00 0.00 66.70 64.68 2jov h VAL 56 Cb 1.07 2.14 -0.38 0.00 -1.52 0.00 0.00 31.29 32.59 2jov h VAL 56 CO 1.05 0.33 -0.78 0.00 0.02 0.00 0.00 177.57 178.19 2jov s LYS 58 N 1.49 4.06 -0.89 0.00 2.20 -1.26 -0.41 119.74 124.92 2jov s LYS 58 Ca -0.05 -0.20 -0.05 0.00 -0.36 0.00 0.00 55.97 55.31 2jov s LYS 58 Cb -0.18 -3.57 -0.06 0.00 -1.51 0.00 0.00 37.83 32.51 2jov s LYS 58 CO -0.07 -0.02 0.78 -1.71 -0.36 0.00 0.00 175.35 173.98 2jov n ASN 59 N 4.52 -6.00 -4.68 1.43 2.85 0.14 -4.92 115.26 108.60 2jov n ASN 59 Ca -0.14 -0.59 -0.43 0.00 -0.11 0.00 0.00 54.58 53.32 2jov n ASN 59 Cb 0.52 -4.53 -0.02 0.00 1.24 0.00 0.00 39.78 36.98 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 -3.32 4.37 -1.50 -1.44 2.07 -1.21 -2.73 121.20 117.43 2jov s ILE 60 Ca 0.38 1.67 0.00 0.00 -1.41 0.00 0.00 60.65 61.29 2jov s ILE 60 Cb -0.05 -4.08 0.00 0.00 0.13 0.00 0.00 42.46 38.46 2jov s ILE 60 CO 0.63 -0.06 0.00 0.23 -1.91 0.00 0.00 174.94 173.83 2jov n MET 61 N 5.76 -1.09 -2.92 3.50 2.81 -1.26 -3.49 117.12 120.43 2jov n MET 61 Ca 0.12 0.93 -0.05 0.00 -1.81 0.00 0.00 57.70 56.89 2jov n MET 61 Cb 0.46 -5.13 0.01 0.00 -0.71 0.00 0.00 33.22 27.84 2jov n MET 61 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 2jov n ASN 62 N -0.56 -7.87 0.00 7.83 5.03 -1.11 -5.01 115.26 113.58 2jov n ASN 62 Ca -0.16 0.32 0.00 0.00 0.87 0.00 0.00 54.58 55.61 2jov n ASN 62 Cb 0.54 -5.35 0.00 0.00 -1.02 0.00 0.00 39.78 33.95 2jov n ASN 62 CO 0.00 0.00 0.00 0.35 -1.83 0.00 0.00 177.26 175.78 2jov n THR 63 N -0.83 0.00 0.00 3.41 -2.24 -1.23 -5.04 114.28 108.35 2jov n THR 63 Ca 0.08 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 2jov n THR 63 Cb 0.47 -0.63 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 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 2.59 1.34 3.55 3.38 0.00 -1.26 -5.04 105.19 109.75 2jov n GLY 64 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 3.77 -0.38 1.61 0.11 -1.26 -4.86 120.40 117.39 2jov s VAL 65 Ca 0.00 -0.44 -0.08 0.00 -2.93 0.00 0.00 61.98 58.53 2jov s VAL 65 Cb 0.00 -2.58 0.05 0.00 -1.53 0.00 0.00 36.38 32.32 2jov s VAL 65 CO 0.00 0.56 0.19 1.51 -3.33 0.00 0.00 175.10 174.03 2jov s ASP 66 N -0.39 5.52 -0.35 3.54 -4.77 -1.26 0.26 116.67 119.23 2jov s ASP 66 Ca 0.06 -1.27 -0.29 0.00 -3.30 0.00 0.00 52.55 47.75 2jov s ASP 66 Cb -0.12 -1.94 0.01 0.00 -1.09 0.00 0.00 42.92 39.77 2jov s ASP 66 CO 0.02 -0.42 1.28 -0.63 0.70 0.00 0.00 175.17 176.11 2jov s ILE 67 N 1.43 4.14 -0.04 2.11 -1.09 0.45 -3.67 121.20 124.54 2jov s ILE 67 Ca 0.01 1.26 0.02 0.00 -2.23 0.00 0.00 60.65 59.71 2jov s ILE 67 Cb -0.21 -4.26 -0.03 0.00 -1.58 0.00 0.00 42.46 36.39 2jov s ILE 67 CO 0.03 -0.60 -0.07 0.27 -1.23 0.00 0.00 174.94 173.33 2jov s ILE 68 N 4.51 3.64 0.10 2.92 -4.36 -0.39 0.01 121.20 127.64 2jov s ILE 68 Ca 0.55 -0.60 -0.17 0.00 -0.26 0.00 0.00 60.65 60.17 2jov s ILE 68 Cb -0.14 -2.51 -0.07 0.00 1.25 0.00 0.00 42.46 40.99 2jov s ILE 68 CO 0.25 0.53 0.56 0.00 0.24 0.00 0.00 174.94 176.52 2jov n THR 70 N 1.37 0.00 -3.80 0.00 5.66 -1.24 -0.11 114.28 116.16 2jov n THR 70 Ca -0.08 -0.48 -0.33 0.00 -3.05 0.00 0.00 64.05 60.10 2jov n THR 70 Cb 0.51 1.06 -0.05 0.00 -1.55 0.00 0.00 70.33 70.31 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 -0.55 3.54 -0.21 1.09 2.20 -1.26 -4.44 119.74 120.11 2jov s LYS 71 Ca 0.04 -0.19 -0.17 0.00 -0.36 0.00 0.00 55.97 55.29 2jov s LYS 71 Cb 0.03 -3.03 -0.03 0.00 -1.51 0.00 0.00 37.83 33.28 2jov s LYS 71 CO 0.07 0.61 0.48 -0.80 -0.36 0.00 0.00 175.35 175.35 2jov s ASN 72 N -2.02 6.49 -0.08 1.43 0.02 -1.26 -4.35 114.94 115.17 2jov s ASN 72 Ca 0.31 0.59 -0.28 0.00 -1.02 0.00 0.00 52.86 52.46 2jov s ASN 72 Cb -0.13 -2.27 -0.02 0.00 0.02 0.00 0.00 41.25 38.85 2jov s ASN 72 CO 0.20 -0.17 0.93 -0.76 0.02 0.00 0.00 177.10 177.32 2jov s LEU 73 N 1.69 4.28 -0.60 0.60 2.01 -0.09 -4.97 118.68 121.60 2jov s LEU 73 Ca 0.22 1.47 -0.26 0.00 0.01 0.00 0.00 54.13 55.56 2jov s LEU 73 Cb -0.15 -3.45 -0.03 0.00 0.01 0.00 0.00 46.19 42.58 2jov s LEU 73 CO 0.09 -0.34 1.92 -2.84 1.01 0.00 0.00 176.35 176.19 2jov s PRO 74 N 1.57 2.57 0.20 1.29 0.02 -1.26 -4.55 135.00 134.84 2jov s PRO 74 Ca 0.46 0.69 0.00 0.00 0.02 0.00 0.00 61.00 62.17 2jov s PRO 74 Cb -0.19 -4.41 0.00 0.00 0.02 0.00 0.00 34.50 29.92 2jov s PRO 74 CO 0.20 -2.79 0.00 1.17 -0.33 0.00 0.00 177.00 175.25 2jov n LYS 75 N 9.17 0.00 -2.03 5.54 4.81 -1.26 -2.09 118.16 132.30 2jov n LYS 75 Ca 0.22 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 57.27 2jov n LYS 75 Cb 0.52 -0.23 -0.03 0.00 0.02 0.00 0.00 35.03 35.31 2jov n LYS 75 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2jov s ASP 76 N -5.46 5.29 -0.22 3.14 2.15 -1.26 -4.95 116.67 115.35 2jov s ASP 76 Ca 0.00 0.40 -0.16 0.00 0.43 0.00 0.00 52.55 53.22 2jov s ASP 76 Cb 0.00 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.05 2jov s ASP 76 CO 0.00 -2.35 0.40 -0.44 -0.17 0.00 0.00 175.17 172.61 2jov s SER 77 N 8.05 6.38 0.00 -0.34 0.01 -1.26 -4.95 113.70 121.59 2jov s SER 77 Ca 0.68 0.45 0.28 0.00 1.31 0.00 0.00 55.95 58.67 2jov s SER 77 Cb -0.13 -2.23 1.04 0.00 0.21 0.00 0.00 66.02 64.91 2jov s SER 77 CO 0.21 -0.12 1.76 0.18 0.41 0.00 0.00 173.24 175.69 2jov n LEU 78 N 4.77 0.36 -4.53 2.44 4.77 -1.26 -4.68 117.00 118.87 2jov n LEU 78 Ca -0.08 0.14 -0.43 0.00 -0.03 0.00 0.00 56.01 55.61 2jov n LEU 78 Cb 0.51 -0.29 -0.04 0.00 -2.33 0.00 0.00 43.42 41.27 2jov n LEU 78 CO 0.39 0.07 0.78 -0.70 -1.33 0.00 0.00 177.39 176.61 2jov s GLU 79 N -2.75 3.34 -0.84 3.23 2.12 -1.26 -4.98 118.70 117.57 2jov s GLU 79 Ca 0.20 -0.23 -0.25 0.00 0.36 0.00 0.00 54.97 55.05 2jov s GLU 79 Cb 0.19 -4.05 0.02 0.00 0.26 0.00 0.00 34.13 30.54 2jov s GLU 79 CO 0.55 -1.51 1.53 -3.38 -0.54 0.00 0.00 175.26 171.91 2jov s HIS 80 N 4.04 2.19 0.17 5.30 -3.43 -1.26 -4.98 115.29 117.32 2jov s HIS 80 Ca 0.31 -0.08 -0.30 0.00 -0.80 0.00 0.00 55.06 54.20 2jov s HIS 80 Cb -0.12 -4.48 -0.07 0.00 -1.43 0.00 0.00 32.58 26.48 2jov s HIS 80 CO 0.19 -2.02 1.03 -3.38 -2.00 0.00 0.00 174.74 168.56 2jov s HIS 81 N 6.67 3.73 -0.44 0.38 -3.43 -1.26 -4.99 115.29 115.96 2jov s HIS 81 Ca 0.49 1.73 -0.28 0.00 -0.80 0.00 0.00 55.06 56.20 2jov s HIS 81 Cb -0.06 -3.15 0.03 0.00 -1.43 0.00 0.00 32.58 27.97 2jov s HIS 81 CO 0.05 -0.15 1.04 -1.01 -2.00 0.00 0.00 174.74 172.68 2jov s HIS 82 N -0.35 2.92 0.00 0.38 3.76 -1.26 -4.50 115.29 116.25 2jov s HIS 82 Ca 0.47 0.69 0.00 0.00 -0.15 0.00 0.00 55.06 56.07 2jov s HIS 82 Cb -0.27 -4.12 0.00 0.00 1.11 0.00 0.00 32.58 29.30 2jov s HIS 82 CO 0.33 -1.11 0.00 1.58 -0.85 0.00 0.00 174.74 174.69 2jov n HIS 83 N 7.41 -1.70 0.00 1.40 -0.00 -1.26 -5.02 115.22 116.05 2jov n HIS 83 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.82 2jov n HIS 83 Cb 0.49 0.38 0.00 0.00 -0.00 0.00 0.00 29.99 30.86 2jov n HIS 83 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 2jov n HIS 84 N -2.27 -0.00 -1.69 1.57 -0.00 -1.26 -5.36 115.22 106.21 2jov n HIS 84 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2jov n HIS 84 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92