#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 3.24 -0.15 2.03 4.02 -1.26 -4.85 115.29 118.32 2jov s HIS 2 Ca 0.00 1.25 0.00 0.00 1.02 0.00 0.00 55.06 57.34 2jov s HIS 2 Cb 0.00 -2.93 0.02 0.00 -1.02 0.00 0.00 32.58 28.65 2jov s HIS 2 CO 0.00 -1.19 -0.14 0.15 1.02 0.00 0.00 174.74 174.58 2jov s LYS 3 N -5.17 2.32 0.08 1.40 1.02 -1.26 -0.86 119.74 117.27 2jov s LYS 3 Ca 0.58 -0.57 0.02 0.00 0.02 0.00 0.00 55.97 56.02 2jov s LYS 3 Cb -0.13 -2.11 -0.04 0.00 -0.52 0.00 0.00 37.83 35.04 2jov s LYS 3 CO 0.54 -0.23 -0.08 0.34 -0.92 0.00 0.00 175.35 175.01 2jov s ASP 4 N 1.45 1.14 -0.25 2.83 2.15 0.74 -4.68 116.67 120.05 2jov s ASP 4 Ca 0.04 -0.84 -0.28 0.00 0.43 0.00 0.00 52.55 51.90 2jov s ASP 4 Cb -0.13 0.06 -0.04 0.00 -0.30 0.00 0.00 42.92 42.51 2jov s ASP 4 CO -0.10 -0.35 2.03 -0.63 -0.17 0.00 0.00 175.17 175.95 2jov s ILE 5 N -2.75 3.21 -0.52 4.11 -1.09 -1.26 0.01 121.20 122.90 2jov s ILE 5 Ca 0.05 0.21 -0.28 0.00 -2.23 0.00 0.00 60.65 58.40 2jov s ILE 5 Cb -0.01 -3.27 0.02 0.00 -1.58 0.00 0.00 42.46 37.62 2jov s ILE 5 CO -0.02 -0.17 1.37 0.12 -1.23 0.00 0.00 174.94 175.02 2jov s PHE 6 N 7.56 2.38 -0.11 3.97 5.36 -1.26 -4.85 117.98 131.03 2jov s PHE 6 Ca 0.92 0.54 -0.01 0.00 -0.96 0.00 0.00 56.93 57.41 2jov s PHE 6 Cb -0.29 -4.39 -0.03 0.00 -0.34 0.00 0.00 43.02 37.98 2jov s PHE 6 CO 0.35 -1.89 -0.07 0.95 -1.46 0.00 0.00 175.22 173.10 2jov s THR 7 N 5.69 3.68 0.00 0.12 -4.23 -1.26 -2.33 115.64 117.31 2jov s THR 7 Ca 0.54 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.59 2jov s THR 7 Cb -0.11 -2.56 0.00 0.00 1.34 0.00 0.00 72.50 71.17 2jov s THR 7 CO 0.28 0.54 0.00 -0.24 -0.54 0.00 0.00 174.62 174.66 2jov n SER 8 N 2.97 0.00 -4.12 3.99 2.88 -0.15 -4.98 113.62 114.21 2jov n SER 8 Ca -0.18 -0.71 -0.27 0.00 -1.33 0.00 0.00 58.87 56.38 2jov n SER 8 Cb 0.53 0.00 -0.16 0.00 -0.75 0.00 0.00 64.21 63.82 2jov n SER 8 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2jov s VAL 9 N -2.60 1.49 0.10 2.46 0.11 -1.26 -0.01 120.40 120.69 2jov s VAL 9 Ca 0.00 -0.72 0.07 0.00 -2.93 0.00 0.00 61.98 58.41 2jov s VAL 9 Cb 0.00 -1.31 -0.04 0.00 -1.53 0.00 0.00 36.38 33.51 2jov s VAL 9 CO 0.00 0.43 -0.12 0.54 -3.33 0.00 0.00 175.10 172.62 2jov s VAL 10 N 0.31 3.20 -0.37 2.04 0.11 -0.31 -4.95 120.40 120.44 2jov s VAL 10 Ca -0.11 -1.29 -0.23 0.00 -2.93 0.00 0.00 61.98 57.42 2jov s VAL 10 Cb -0.14 -2.47 0.01 0.00 -1.53 0.00 0.00 36.38 32.24 2jov s VAL 10 CO 0.04 0.15 0.77 -0.13 -3.33 0.00 0.00 175.10 172.60 2jov s ARG 11 N -2.07 3.72 0.14 1.54 0.52 -1.26 -1.75 118.95 119.79 2jov s ARG 11 Ca 0.20 0.25 -0.24 0.00 -0.52 0.00 0.00 55.73 55.42 2jov s ARG 11 Cb -0.11 -3.82 -0.08 0.00 0.52 0.00 0.00 34.95 31.47 2jov s ARG 11 CO 0.12 -0.86 0.75 0.08 0.02 0.00 0.00 175.30 175.40 2jov s VAL 12 N 3.08 4.46 -0.11 3.52 1.01 0.68 -4.40 120.40 128.64 2jov s VAL 12 Ca 0.31 1.63 -0.03 0.00 0.00 0.00 0.00 61.98 63.88 2jov s VAL 12 Cb -0.13 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.11 2jov s VAL 12 CO 0.17 0.51 0.02 -0.60 0.00 0.00 0.00 175.10 175.20 2jov s ARG 13 N -1.01 3.23 0.00 2.72 6.06 0.05 -4.85 118.95 125.16 2jov s ARG 13 Ca 0.35 -0.37 0.00 0.00 -2.50 0.00 0.00 55.73 53.21 2jov s ARG 13 Cb -0.22 -2.91 0.00 0.00 0.06 0.00 0.00 34.95 31.88 2jov s ARG 13 CO 0.25 0.62 0.00 0.41 -2.50 0.00 0.00 175.30 174.07 2jov n GLY 14 N 2.43 0.79 3.59 8.12 0.00 -1.26 -2.63 105.19 116.23 2jov n GLY 14 Ca -0.18 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.12 2jov n GLY 14 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2jov s SER 15 N -0.68 6.61 0.20 1.61 0.15 -1.26 -4.96 113.70 115.37 2jov s SER 15 Ca 0.00 0.39 -0.23 0.00 0.70 0.00 0.00 55.95 56.81 2jov s SER 15 Cb 0.00 -2.52 0.05 0.00 -1.71 0.00 0.00 66.02 61.83 2jov s SER 15 CO 0.00 -1.19 0.82 -1.59 1.20 0.00 0.00 173.24 172.48 2jov s LYS 16 N 4.24 1.45 0.06 5.44 0.00 -1.26 -4.55 119.74 125.11 2jov s LYS 16 Ca 0.45 -0.77 0.22 0.00 0.00 0.00 0.00 55.97 55.87 2jov s LYS 16 Cb -0.08 0.51 -0.20 0.00 0.00 0.00 0.00 37.83 38.06 2jov s LYS 16 CO 0.30 -0.66 0.69 1.17 0.00 0.00 0.00 175.35 176.85 2jov n LYS 17 N -0.44 0.64 -3.70 1.78 4.81 -1.23 -4.78 118.16 115.23 2jov n LYS 17 Ca -0.06 -0.05 -0.39 0.00 -0.87 0.00 0.00 58.31 56.94 2jov n LYS 17 Cb 0.60 -1.65 -0.12 0.00 0.02 0.00 0.00 35.03 33.88 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 1.17 0.00 0.00 177.40 179.28 2jov s TYR 18 N -3.39 3.22 -0.29 5.64 2.02 -1.26 -4.96 117.35 118.33 2jov s TYR 18 Ca -0.05 -1.14 0.27 0.00 -0.37 0.00 0.00 57.07 55.77 2jov s TYR 18 Cb 0.12 -2.33 0.71 0.00 -0.40 0.00 0.00 41.96 40.06 2jov s TYR 18 CO 0.86 -0.66 1.74 -0.91 -1.57 0.00 0.00 175.55 175.01 2jov h ASN 19 N 8.30 0.00 -4.05 2.29 2.35 -1.90 -3.44 115.58 119.13 2jov h ASN 19 Ca -0.26 0.00 -0.44 0.00 -0.55 0.00 0.00 56.30 55.05 2jov h ASN 19 Cb 1.10 0.00 -0.29 0.00 0.05 0.00 0.00 38.32 39.18 2jov h ASN 19 CO 0.62 0.00 -0.80 0.68 -1.65 0.00 0.00 177.43 176.29 2jov s VAL 20 N -3.35 0.91 -0.01 2.81 -7.23 -1.26 -0.23 120.40 112.04 2jov s VAL 20 Ca 0.05 -0.48 0.02 0.00 -1.81 0.00 0.00 61.98 59.76 2jov s VAL 20 Cb 0.07 -0.77 -0.00 0.00 0.56 0.00 0.00 36.38 36.23 2jov s VAL 20 CO 0.62 0.26 -0.06 0.54 -0.31 0.00 0.00 175.10 176.15 2jov s VAL 21 N -0.16 0.48 0.09 1.32 0.11 -0.71 -4.95 120.40 116.58 2jov s VAL 21 Ca 0.02 -0.26 -0.31 0.00 -2.93 0.00 0.00 61.98 58.51 2jov s VAL 21 Cb -0.06 -0.40 -0.06 0.00 -1.53 0.00 0.00 36.38 34.32 2jov s VAL 21 CO -0.00 0.14 1.24 -2.16 -3.33 0.00 0.00 175.10 170.99 2jov s PRO 22 N -0.12 4.41 0.31 1.54 0.04 -1.26 -1.16 135.00 138.76 2jov s PRO 22 Ca 0.02 1.85 0.11 0.00 0.04 0.00 0.00 61.00 63.02 2jov s PRO 22 Cb -0.03 -3.31 -0.06 0.00 0.04 0.00 0.00 34.50 31.15 2jov s PRO 22 CO -0.00 -0.28 -0.13 0.14 0.04 0.00 0.00 177.00 176.77 2jov s VAL 23 N 0.92 2.46 0.22 -0.36 -7.23 0.98 -3.32 120.40 114.07 2jov s VAL 23 Ca 0.59 -2.26 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2jov s VAL 23 Cb -0.32 -2.52 -0.03 0.00 0.56 0.00 0.00 36.38 34.08 2jov s VAL 23 CO 0.30 -0.30 0.25 -1.59 -0.31 0.00 0.00 175.10 173.45 2jov s LYS 24 N -3.58 1.35 -0.17 4.82 -2.85 0.76 -0.98 119.74 119.10 2jov s LYS 24 Ca 0.32 -1.55 -0.04 0.00 -1.00 0.00 0.00 55.97 53.70 2jov s LYS 24 Cb -0.02 0.33 -0.03 0.00 -2.06 0.00 0.00 37.83 36.06 2jov s LYS 24 CO 0.16 -0.49 -0.03 -1.54 0.10 0.00 0.00 175.35 173.55 2jov s SER 25 N -3.13 4.76 0.00 0.03 1.04 -0.99 0.21 113.70 115.61 2jov s SER 25 Ca 0.34 -0.16 0.25 0.00 0.48 0.00 0.00 55.95 56.86 2jov s SER 25 Cb 0.04 -1.78 1.45 0.00 0.10 0.00 0.00 66.02 65.83 2jov s SER 25 CO 0.12 0.14 1.85 -0.46 0.98 0.00 0.00 173.24 175.87 2jov n ASN 26 N 3.75 0.00 -4.06 7.02 6.94 -1.14 -4.61 115.26 123.16 2jov n ASN 26 Ca -0.17 -0.67 -0.19 0.00 -0.02 0.00 0.00 54.58 53.53 2jov n ASN 26 Cb 0.52 -0.05 -0.14 0.00 -2.36 0.00 0.00 39.78 37.76 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 -2.09 0.79 0.31 -3.83 1.02 -1.26 -5.02 119.74 109.66 2jov s LYS 27 Ca 0.35 -0.47 -0.30 0.00 0.02 0.00 0.00 55.97 55.58 2jov s LYS 27 Cb 0.17 -0.75 -0.11 0.00 -0.52 0.00 0.00 37.83 36.61 2jov s LYS 27 CO 0.30 0.20 1.59 -1.25 -0.92 0.00 0.00 175.35 175.27 2jov s PRO 28 N -0.54 4.10 -0.17 -1.68 0.04 -1.26 -4.68 135.00 130.82 2jov s PRO 28 Ca 0.02 2.61 -0.06 0.00 0.04 0.00 0.00 61.00 63.61 2jov s PRO 28 Cb -0.05 -3.00 -0.04 0.00 0.04 0.00 0.00 34.50 31.45 2jov s PRO 28 CO 0.00 -0.64 0.03 0.08 0.04 0.00 0.00 177.00 176.51 2jov s VAL 29 N -0.19 4.52 0.06 -0.36 1.01 0.10 -4.76 120.40 120.78 2jov s VAL 29 Ca 0.62 -0.14 -0.30 0.00 0.00 0.00 0.00 61.98 62.16 2jov s VAL 29 Cb -0.48 -3.01 -0.09 0.00 0.00 0.00 0.00 36.38 32.79 2jov s VAL 29 CO 0.51 0.48 1.94 -0.70 0.00 0.00 0.00 175.10 177.34 2jov s GLU 30 N 0.24 4.14 0.64 2.72 2.12 -1.26 -0.19 118.70 127.10 2jov s GLU 30 Ca 0.02 2.62 0.40 0.00 0.36 0.00 0.00 54.97 58.37 2jov s GLU 30 Cb -0.13 -4.02 2.19 0.00 0.26 0.00 0.00 34.13 32.43 2jov s GLU 30 CO 0.01 -0.93 2.31 0.97 -0.54 0.00 0.00 175.26 177.08 2jov h ILE 31 N 5.38 0.15 0.00 -3.70 6.09 -1.33 0.10 117.51 124.21 2jov h ILE 31 Ca -0.49 -0.06 0.00 0.00 -1.37 0.00 0.00 64.86 62.94 2jov h ILE 31 Cb 1.23 1.05 0.00 0.00 0.47 0.00 0.00 36.82 39.57 2jov h ILE 31 CO 0.94 0.01 0.00 -1.54 -3.07 0.00 0.00 178.15 174.49 2jov n SER 32 N -3.29 0.23 -0.72 2.19 3.41 -1.26 -2.35 113.62 111.83 2jov n SER 32 Ca -0.03 0.55 0.09 0.00 -0.26 0.00 0.00 58.87 59.22 2jov n SER 32 Cb 0.10 -0.61 0.09 0.00 -0.26 0.00 0.00 64.21 63.53 2jov n SER 32 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2jov n LYS 33 N -1.76 1.56 0.16 4.33 5.02 0.35 -4.58 118.16 123.25 2jov n LYS 33 Ca 0.03 -1.62 0.08 0.00 -2.02 0.00 0.00 58.31 54.77 2jov n LYS 33 Cb 0.20 -1.34 0.58 0.00 -0.02 0.00 0.00 35.03 34.45 2jov n LYS 33 CO 0.00 0.00 0.00 0.11 -0.52 0.00 0.00 177.40 176.99 2jov h TRP 34 N 3.34 0.16 0.00 2.13 5.08 -1.54 -0.92 115.95 124.20 2jov h TRP 34 Ca 0.00 0.00 -0.19 0.00 1.08 0.00 0.00 58.89 59.78 2jov h TRP 34 Cb 0.73 -0.05 -0.03 0.00 -3.00 0.00 0.00 29.16 26.81 2jov h TRP 34 CO 0.04 0.10 -0.90 0.97 -1.28 0.00 0.00 178.44 177.37 2jov h ILE 35 N 0.17 1.65 0.11 0.12 2.10 -1.82 -2.64 117.51 117.20 2jov h ILE 35 Ca 0.06 -3.09 -0.21 0.00 1.08 0.00 0.00 64.86 62.70 2jov h ILE 35 Cb 0.05 2.67 0.02 0.00 -1.09 0.00 0.00 36.82 38.47 2jov h ILE 35 CO -0.01 0.88 -0.88 -0.78 -1.08 0.00 0.00 178.15 176.28 2jov h ASP 36 N 0.00 0.59 -0.40 2.19 3.58 -1.54 -2.52 116.42 118.32 2jov h ASP 36 Ca -0.01 -0.87 0.05 0.00 0.42 0.00 0.00 57.03 56.61 2jov h ASP 36 Cb 1.60 -0.19 -0.04 0.00 1.72 0.00 0.00 39.33 42.42 2jov h ASP 36 CO 0.12 1.41 0.15 -0.26 -2.88 0.00 0.00 179.24 177.77 2jov h PHE 37 N -0.14 0.26 -0.47 0.28 -1.00 -1.28 -1.28 116.94 113.31 2jov h PHE 37 Ca -0.14 0.02 -0.08 0.00 2.81 0.00 0.00 57.97 60.58 2jov h PHE 37 Cb 1.64 -0.06 -0.02 0.00 3.61 0.00 0.00 35.95 41.12 2jov h PHE 37 CO 0.16 0.10 -0.04 0.66 -1.61 0.00 0.00 178.31 177.59 2jov h SER 38 N 0.31 0.78 -0.67 2.17 4.64 -1.54 -1.36 113.55 117.88 2jov h SER 38 Ca 0.18 -0.21 -0.00 0.00 -0.47 0.00 0.00 61.79 61.30 2jov h SER 38 Cb 0.16 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 2jov h SER 38 CO -0.18 0.87 0.41 0.78 -0.87 0.00 0.00 176.83 177.84 2jov h ASN 39 N 0.74 0.80 -0.47 4.97 2.35 -0.98 -0.92 115.58 122.07 2jov h ASN 39 Ca 0.14 -0.05 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2jov h ASN 39 Cb 0.51 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.66 2jov h ASN 39 CO 0.03 0.61 0.19 0.58 -1.65 0.00 0.00 177.43 177.19 2jov h VAL 40 N 0.91 1.21 0.00 2.81 2.07 -0.81 -2.34 116.25 120.10 2jov h VAL 40 Ca 0.24 -0.65 -0.01 0.00 0.82 0.00 0.00 66.70 67.10 2jov h VAL 40 Cb -0.04 0.75 -0.00 0.00 -1.52 0.00 0.00 31.29 30.48 2jov h VAL 40 CO -0.05 0.24 -0.05 -0.07 0.02 0.00 0.00 177.57 177.67 2jov h LEU 41 N 0.62 0.00 0.00 2.57 3.38 -0.92 0.78 115.31 121.75 2jov h LEU 41 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2jov h LEU 41 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 2jov h LEU 41 CO -0.01 0.05 -0.10 -1.20 0.09 0.00 0.00 178.44 177.26 2jov n SER 42 N -3.24 0.32 -0.05 -0.43 7.64 -0.38 -3.49 113.62 113.99 2jov n SER 42 Ca -0.01 0.40 -0.01 0.00 1.01 0.00 0.00 58.87 60.26 2jov n SER 42 Cb 0.25 -0.44 -0.12 0.00 -1.01 0.00 0.00 64.21 62.89 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 -1.74 1.20 -2.63 1.43 5.12 -0.28 -4.87 116.66 114.89 2jov n ARG 43 Ca 0.06 -0.06 -0.42 0.00 -1.93 0.00 0.00 57.85 55.51 2jov n ARG 43 Cb 0.37 -1.37 -0.03 0.00 -1.16 0.00 0.00 32.46 30.27 2jov n ARG 43 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2jov s LEU 44 N -4.67 3.63 -0.85 0.55 2.96 0.11 -4.94 118.68 115.47 2jov s LEU 44 Ca -0.07 -1.09 -0.15 0.00 -0.22 0.00 0.00 54.13 52.61 2jov s LEU 44 Cb 0.06 -2.53 0.20 0.00 0.50 0.00 0.00 46.19 44.42 2jov s LEU 44 CO 0.61 -1.58 0.85 -0.31 -1.32 0.00 0.00 176.35 174.60 2jov s TYR 45 N 4.93 3.59 0.26 5.38 2.02 -1.26 -4.84 117.35 127.43 2jov s TYR 45 Ca 0.38 -1.82 -0.00 0.00 -0.37 0.00 0.00 57.07 55.25 2jov s TYR 45 Cb -0.05 -3.94 -0.03 0.00 -0.40 0.00 0.00 41.96 37.54 2jov s TYR 45 CO 0.02 -1.12 0.24 0.14 -1.57 0.00 0.00 175.55 173.26 2jov s VAL 46 N 0.83 0.00 0.00 0.71 -7.23 -1.26 -4.73 120.40 108.71 2jov s VAL 46 Ca 0.21 -1.90 0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2jov s VAL 46 Cb -0.09 -2.48 0.00 0.00 0.56 0.00 0.00 36.38 34.36 2jov s VAL 46 CO -0.09 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.31 2jov n GLY 47 N -0.41 1.29 0.00 2.32 0.00 -1.08 -0.77 105.19 106.54 2jov n GLY 47 Ca 0.03 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2jov n GLY 47 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2jov n VAL 48 N -1.11 0.00 -1.38 1.61 3.14 -1.25 -4.63 118.33 114.72 2jov n VAL 48 Ca 0.00 0.00 -0.51 0.00 -2.96 0.00 0.00 64.34 60.87 2jov n VAL 48 Cb 0.00 0.00 -0.12 0.00 -1.06 0.00 0.00 33.84 32.66 2jov n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2jov n PRO 49 N -0.14 0.16 -4.37 1.45 -0.02 -1.26 -4.90 135.00 125.93 2jov n PRO 49 Ca 0.00 0.03 -0.18 0.00 -2.02 0.00 0.00 63.50 61.33 2jov n PRO 49 Cb 0.00 -1.69 -0.10 0.00 -0.02 0.00 0.00 33.50 31.69 2jov n PRO 49 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2jov s THR 50 N 7.52 1.08 -0.52 3.45 -4.23 -1.22 -4.93 115.64 116.79 2jov s THR 50 Ca 1.24 -2.03 0.07 0.00 -1.18 0.00 0.00 61.69 59.79 2jov s THR 50 Cb -1.28 -2.49 0.32 0.00 1.34 0.00 0.00 72.50 70.38 2jov s THR 50 CO 0.56 -0.21 0.82 0.29 -0.54 0.00 0.00 174.62 175.54 2jov n LYS 51 N -0.50 2.29 -0.87 3.99 5.02 -1.26 -0.77 118.16 126.06 2jov n LYS 51 Ca -0.04 -4.29 0.01 0.00 -2.02 0.00 0.00 58.31 51.97 2jov n LYS 51 Cb 0.65 -2.01 -0.00 0.00 -0.02 0.00 0.00 35.03 33.65 2jov n LYS 51 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2jov n SER 52 N 0.24 -4.68 -1.46 4.39 2.88 -1.26 -4.84 113.62 108.89 2jov n SER 52 Ca 0.28 1.03 -0.16 0.00 -1.33 0.00 0.00 58.87 58.70 2jov n SER 52 Cb 0.48 -2.42 -0.04 0.00 -0.75 0.00 0.00 64.21 61.48 2jov n SER 52 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2jov n GLY 53 N -2.22 0.75 3.71 0.46 0.00 0.10 -4.92 105.19 103.07 2jov n GLY 53 Ca -0.00 -0.26 -0.37 0.00 0.00 0.00 0.00 46.02 45.39 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 -2.59 6.39 -0.38 1.61 2.20 -0.95 -4.87 114.94 116.34 2jov s ASN 54 Ca 0.00 0.45 -0.29 0.00 -0.94 0.00 0.00 52.86 52.08 2jov s ASN 54 Cb 0.00 -2.18 0.02 0.00 -2.00 0.00 0.00 41.25 37.09 2jov s ASN 54 CO 0.00 0.06 1.14 -0.69 -2.94 0.00 0.00 177.10 174.68 2jov s VAL 55 N 0.70 4.33 -0.15 3.54 1.01 -1.26 -0.39 120.40 128.17 2jov s VAL 55 Ca 0.15 1.46 -0.28 0.00 0.00 0.00 0.00 61.98 63.32 2jov s VAL 55 Cb -0.13 -4.44 -0.25 0.00 0.00 0.00 0.00 36.38 31.56 2jov s VAL 55 CO 0.04 -0.68 0.70 0.58 0.00 0.00 0.00 175.10 175.74 2jov h VAL 56 N 5.97 1.68 -3.27 2.92 2.07 -0.53 -3.45 116.25 121.63 2jov h VAL 56 Ca -0.22 -2.31 -0.50 0.00 0.82 0.00 0.00 66.70 64.49 2jov h VAL 56 Cb 1.07 3.22 -0.36 0.00 -1.52 0.00 0.00 31.29 33.69 2jov h VAL 56 CO 1.07 0.57 -0.80 0.00 0.02 0.00 0.00 177.57 178.43 2jov s LYS 58 N 1.45 3.40 -1.34 0.00 2.20 -1.26 -0.78 119.74 123.40 2jov s LYS 58 Ca -0.01 -0.40 -0.01 0.00 -0.36 0.00 0.00 55.97 55.19 2jov s LYS 58 Cb -0.13 -2.94 0.00 0.00 -1.51 0.00 0.00 37.83 33.25 2jov s LYS 58 CO -0.05 0.50 0.19 -1.71 -0.36 0.00 0.00 175.35 173.93 2jov n ASN 59 N 2.77 -5.00 -4.75 1.43 2.85 -0.95 -4.93 115.26 106.67 2jov n ASN 59 Ca -0.18 -0.10 -0.42 0.00 -0.11 0.00 0.00 54.58 53.78 2jov n ASN 59 Cb 0.53 -4.01 -0.02 0.00 1.24 0.00 0.00 39.78 37.53 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 -2.91 2.08 -1.64 -1.44 2.07 -1.05 -1.59 121.20 116.73 2jov s ILE 60 Ca 0.09 0.07 0.00 0.00 -1.41 0.00 0.00 60.65 59.40 2jov s ILE 60 Cb -0.04 -3.04 0.00 0.00 0.13 0.00 0.00 42.46 39.51 2jov s ILE 60 CO 0.11 0.01 0.00 0.23 -1.91 0.00 0.00 174.94 173.38 2jov n MET 61 N 2.29 -1.34 -0.55 3.50 2.81 -1.26 -2.79 117.12 119.77 2jov n MET 61 Ca 0.09 1.03 0.00 0.00 -1.81 0.00 0.00 57.70 57.01 2jov n MET 61 Cb 0.37 -5.31 0.00 0.00 -0.71 0.00 0.00 33.22 27.57 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 -0.94 0.00 0.00 7.83 4.13 -0.62 -4.79 115.26 120.88 2jov n ASN 62 Ca -0.15 0.00 0.14 0.00 1.68 0.00 0.00 54.58 56.25 2jov n ASN 62 Cb 0.57 -1.03 0.66 0.00 -1.54 0.00 0.00 39.78 38.44 2jov n ASN 62 CO 0.00 0.00 0.00 1.07 0.28 0.00 0.00 177.26 178.61 2jov n THR 63 N -2.00 0.03 -0.84 3.41 5.66 -1.12 -4.89 114.28 114.53 2jov n THR 63 Ca 0.00 0.01 0.00 0.00 -3.05 0.00 0.00 64.05 61.01 2jov n THR 63 Cb 0.00 -0.51 0.00 0.00 -1.55 0.00 0.00 70.33 68.27 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 1.39 0.80 3.71 1.09 0.00 -1.26 -5.00 105.19 105.93 2jov n GLY 64 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.11 3.05 -0.26 1.61 1.01 -1.26 -4.20 120.40 117.24 2jov s VAL 65 Ca 0.00 0.73 -0.11 0.00 0.00 0.00 0.00 61.98 62.59 2jov s VAL 65 Cb 0.00 -3.47 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2jov s VAL 65 CO 0.00 0.05 0.20 -1.81 0.00 0.00 0.00 175.10 173.54 2jov s ASP 66 N 1.25 6.10 -0.52 3.32 1.01 -1.26 -2.24 116.67 124.32 2jov s ASP 66 Ca 0.67 0.09 -0.24 0.00 0.71 0.00 0.00 52.55 53.79 2jov s ASP 66 Cb -0.39 -2.13 0.04 0.00 1.01 0.00 0.00 42.92 41.45 2jov s ASP 66 CO 0.31 -0.01 0.89 -0.63 0.21 0.00 0.00 175.17 175.93 2jov s ILE 67 N 1.47 4.47 -0.12 0.77 -1.09 0.04 -2.89 121.20 123.85 2jov s ILE 67 Ca 0.08 0.29 -0.02 0.00 -2.23 0.00 0.00 60.65 58.77 2jov s ILE 67 Cb -0.15 -4.48 -0.03 0.00 -1.58 0.00 0.00 42.46 36.22 2jov s ILE 67 CO 0.08 -1.01 -0.03 0.27 -1.23 0.00 0.00 174.94 173.02 2jov s ILE 68 N 3.74 3.96 0.11 2.92 -4.36 0.13 0.29 121.20 127.98 2jov s ILE 68 Ca 0.30 -0.36 -0.29 0.00 -0.26 0.00 0.00 60.65 60.04 2jov s ILE 68 Cb -0.13 -2.69 -0.06 0.00 1.25 0.00 0.00 42.46 40.84 2jov s ILE 68 CO 0.20 0.55 0.91 0.00 0.24 0.00 0.00 174.94 176.84 2jov n THR 70 N 2.68 0.00 -3.68 0.00 5.66 -1.21 0.02 114.28 117.75 2jov n THR 70 Ca 0.01 -0.37 -0.37 0.00 -3.05 0.00 0.00 64.05 60.27 2jov n THR 70 Cb 0.49 1.08 -0.06 0.00 -1.55 0.00 0.00 70.33 70.29 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 -1.46 3.75 -0.09 1.09 2.20 -1.26 -4.32 119.74 119.65 2jov s LYS 71 Ca 0.06 0.12 -0.24 0.00 -0.36 0.00 0.00 55.97 55.55 2jov s LYS 71 Cb 0.07 -3.23 -0.03 0.00 -1.51 0.00 0.00 37.83 33.13 2jov s LYS 71 CO 0.27 0.67 0.75 -0.80 -0.36 0.00 0.00 175.35 175.88 2jov s ASN 72 N -0.85 6.99 -0.42 1.43 0.02 -1.26 -4.13 114.94 116.72 2jov s ASN 72 Ca 0.19 1.20 -0.07 0.00 -1.02 0.00 0.00 52.86 53.16 2jov s ASN 72 Cb -0.14 -2.43 0.10 0.00 0.02 0.00 0.00 41.25 38.80 2jov s ASN 72 CO 0.08 -0.20 0.25 -0.76 0.02 0.00 0.00 177.10 176.49 2jov s LEU 73 N 1.17 5.27 0.75 0.60 1.43 0.05 -4.97 118.68 122.98 2jov s LEU 73 Ca 0.38 -1.78 -0.03 0.00 -1.03 0.00 0.00 54.13 51.67 2jov s LEU 73 Cb -0.18 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.25 2jov s LEU 73 CO 0.17 -0.57 1.04 -2.16 0.23 0.00 0.00 176.35 175.06 2jov s PRO 74 N 1.30 1.56 0.27 1.29 0.04 -1.26 -3.45 135.00 134.75 2jov s PRO 74 Ca 0.05 -0.96 0.12 0.00 0.04 0.00 0.00 61.00 60.25 2jov s PRO 74 Cb -0.24 -2.25 -0.05 0.00 0.04 0.00 0.00 34.50 32.00 2jov s PRO 74 CO -0.01 -1.57 -0.20 0.15 0.04 0.00 0.00 177.00 175.41 2jov s LYS 75 N -5.25 1.66 0.00 4.56 1.02 -1.26 -3.54 119.74 116.93 2jov s LYS 75 Ca 0.67 -1.75 0.00 0.00 0.02 0.00 0.00 55.97 54.91 2jov s LYS 75 Cb -0.05 -1.77 0.00 0.00 -0.52 0.00 0.00 37.83 35.49 2jov s LYS 75 CO 0.45 0.33 0.00 -3.47 -0.92 0.00 0.00 175.35 171.75 2jov n ASP 76 N -0.56 0.66 -0.93 2.83 2.03 -1.26 -4.77 116.55 114.54 2jov n ASP 76 Ca -0.06 0.00 -0.12 0.00 0.52 0.00 0.00 54.79 55.14 2jov n ASP 76 Cb 0.60 0.00 -0.05 0.00 -0.72 0.00 0.00 41.12 40.95 2jov n ASP 76 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 2jov n SER 77 N 0.00 -4.41 -4.79 1.67 7.64 -1.26 -5.00 113.62 107.48 2jov n SER 77 Ca 0.00 0.28 -0.39 0.00 1.01 0.00 0.00 58.87 59.77 2jov n SER 77 Cb 0.00 -2.98 -0.06 0.00 -1.01 0.00 0.00 64.21 60.16 2jov n SER 77 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2jov s LEU 78 N -2.73 4.51 -0.06 -3.43 1.43 -1.26 -4.96 118.68 112.18 2jov s LEU 78 Ca 0.00 1.32 -0.00 0.00 -1.03 0.00 0.00 54.13 54.42 2jov s LEU 78 Cb 0.00 -2.99 0.03 0.00 0.03 0.00 0.00 46.19 43.26 2jov s LEU 78 CO 0.00 0.22 2.08 -1.84 0.23 0.00 0.00 176.35 177.03 2jov n GLU 79 N 1.96 1.20 0.14 1.70 0.00 -1.26 -4.01 120.64 120.37 2jov n GLU 79 Ca -0.08 -0.36 0.00 0.00 0.00 0.00 0.00 57.16 56.72 2jov n GLU 79 Cb 0.50 -1.17 0.13 0.00 0.00 0.00 0.00 31.44 30.91 2jov n GLU 79 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.13 178.38 2jov h HIS 80 N 1.19 0.00 -3.58 -1.84 2.76 -2.02 -3.40 115.15 108.26 2jov h HIS 80 Ca 0.07 0.00 -0.71 0.00 -2.20 0.00 0.00 60.37 57.53 2jov h HIS 80 Cb 1.00 0.00 -0.24 0.00 1.55 0.00 0.00 27.41 29.72 2jov h HIS 80 CO 0.41 0.60 -0.50 -1.58 -1.30 0.00 0.00 177.93 175.56 2jov s HIS 81 N -3.29 3.24 -0.69 5.26 5.65 -1.26 -5.04 115.29 119.16 2jov s HIS 81 Ca 0.01 -0.86 -0.18 0.00 0.25 0.00 0.00 55.06 54.27 2jov s HIS 81 Cb 0.11 -2.46 0.12 0.00 -1.18 0.00 0.00 32.58 29.17 2jov s HIS 81 CO 0.75 -0.62 0.80 -1.01 -0.65 0.00 0.00 174.74 174.01 2jov s HIS 82 N 1.58 3.10 -0.04 3.88 0.09 -1.26 -4.82 115.29 117.81 2jov s HIS 82 Ca 0.03 -1.15 -0.04 0.00 -0.00 0.00 0.00 55.06 53.90 2jov s HIS 82 Cb -0.19 -4.06 -0.01 0.00 -0.00 0.00 0.00 32.58 28.32 2jov s HIS 82 CO 0.07 -1.31 -0.07 1.58 -0.00 0.00 0.00 174.74 175.01 2jov n HIS 83 N 6.15 0.09 -2.07 1.40 -0.00 -1.26 -4.77 115.22 114.76 2jov n HIS 83 Ca -0.00 0.04 0.03 0.00 -0.00 0.00 0.00 57.72 57.79 2jov n HIS 83 Cb 0.44 -0.22 0.11 0.00 -0.00 0.00 0.00 29.99 30.32 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 -2.94 0.20 -1.29 1.57 -0.00 -1.26 -5.32 115.22 106.18 2jov n HIS 84 Ca -0.03 -1.14 0.00 0.00 -0.00 0.00 0.00 57.72 56.56 2jov n HIS 84 Cb 0.11 -0.21 0.00 0.00 -0.00 0.00 0.00 29.99 29.89 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92