#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 -0.71 0.01 3.17 5.65 -1.26 -5.13 115.29 117.02 2jov s HIS 2 Ca 0.00 0.06 0.04 0.00 0.25 0.00 0.00 55.06 55.41 2jov s HIS 2 Cb 0.00 0.13 -0.03 0.00 -1.18 0.00 0.00 32.58 31.50 2jov s HIS 2 CO 0.00 -0.49 -0.08 0.15 -0.65 0.00 0.00 174.74 173.67 2jov s LYS 3 N 1.80 2.48 0.03 2.88 1.02 -1.26 -2.23 119.74 124.47 2jov s LYS 3 Ca 0.16 -0.76 -0.01 0.00 0.02 0.00 0.00 55.97 55.38 2jov s LYS 3 Cb 0.02 -2.45 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 2jov s LYS 3 CO -0.12 0.59 -0.01 0.34 -0.92 0.00 0.00 175.35 175.23 2jov s ASP 4 N -1.41 0.32 -0.17 2.83 -1.08 0.93 -4.76 116.67 113.33 2jov s ASP 4 Ca 0.17 -0.69 -0.29 0.00 -0.52 0.00 0.00 52.55 51.22 2jov s ASP 4 Cb -0.11 0.16 -0.03 0.00 -1.46 0.00 0.00 42.92 41.48 2jov s ASP 4 CO 0.07 -0.44 1.56 -0.63 0.52 0.00 0.00 175.17 176.25 2jov s ILE 5 N -2.55 3.77 -0.47 4.11 -1.09 -1.26 -0.10 121.20 123.61 2jov s ILE 5 Ca -0.06 0.90 -0.29 0.00 -2.23 0.00 0.00 60.65 58.97 2jov s ILE 5 Cb -0.02 -3.70 0.02 0.00 -1.58 0.00 0.00 42.46 37.19 2jov s ILE 5 CO -0.05 -0.21 1.22 0.12 -1.23 0.00 0.00 174.94 174.80 2jov s PHE 6 N 4.59 2.67 -0.07 3.97 5.36 -1.26 -4.86 117.98 128.37 2jov s PHE 6 Ca 0.69 0.68 0.04 0.00 -0.96 0.00 0.00 56.93 57.38 2jov s PHE 6 Cb -0.26 -4.42 0.00 0.00 -0.34 0.00 0.00 43.02 38.00 2jov s PHE 6 CO 0.27 -1.51 -0.20 -0.08 -1.46 0.00 0.00 175.22 172.24 2jov s THR 7 N 4.81 1.69 0.00 0.12 -1.32 -1.26 -1.76 115.64 117.91 2jov s THR 7 Ca 0.51 -0.83 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 2jov s THR 7 Cb -0.09 -1.46 0.00 0.00 -1.51 0.00 0.00 72.50 69.44 2jov s THR 7 CO 0.32 0.48 0.00 -1.20 -2.21 0.00 0.00 174.62 172.00 2jov n SER 8 N 3.40 0.00 -4.08 8.08 7.64 -0.67 -4.99 113.62 123.01 2jov n SER 8 Ca -0.19 -0.51 -0.24 0.00 1.01 0.00 0.00 58.87 58.94 2jov n SER 8 Cb 0.52 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.57 2jov n SER 8 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 2jov s VAL 9 N -2.46 1.19 0.11 0.44 1.01 -1.26 -0.16 120.40 119.26 2jov s VAL 9 Ca 0.00 -0.57 0.10 0.00 0.00 0.00 0.00 61.98 61.51 2jov s VAL 9 Cb 0.00 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 2jov s VAL 9 CO 0.00 0.35 -0.25 0.54 0.00 0.00 0.00 175.10 175.75 2jov s VAL 10 N 0.17 2.39 0.17 2.92 0.11 -0.78 -4.93 120.40 120.45 2jov s VAL 10 Ca -0.05 -1.60 -0.30 0.00 -2.93 0.00 0.00 61.98 57.10 2jov s VAL 10 Cb -0.11 -2.04 -0.07 0.00 -1.53 0.00 0.00 36.38 32.62 2jov s VAL 10 CO 0.02 0.16 1.11 -0.13 -3.33 0.00 0.00 175.10 172.93 2jov s ARG 11 N -1.88 4.58 -0.03 1.54 3.00 -1.26 -1.04 118.95 123.85 2jov s ARG 11 Ca 0.14 1.72 0.03 0.00 0.00 0.00 0.00 55.73 57.63 2jov s ARG 11 Cb -0.10 -3.28 -0.03 0.00 0.00 0.00 0.00 34.95 31.53 2jov s ARG 11 CO 0.06 0.04 -0.10 0.08 0.00 0.00 0.00 175.30 175.38 2jov s VAL 12 N -0.11 3.39 0.38 3.52 1.01 0.15 -2.22 120.40 126.52 2jov s VAL 12 Ca 0.50 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.82 2jov s VAL 12 Cb -0.29 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 2jov s VAL 12 CO 0.34 0.52 0.07 -0.13 0.00 0.00 0.00 175.10 175.91 2jov s ARG 13 N -1.00 1.84 0.02 2.72 0.52 0.13 -4.58 118.95 118.61 2jov s ARG 13 Ca 0.13 -2.08 0.00 0.00 -0.52 0.00 0.00 55.73 53.26 2jov s ARG 13 Cb -0.11 -0.92 0.00 0.00 0.52 0.00 0.00 34.95 34.44 2jov s ARG 13 CO 0.03 -0.30 0.00 0.41 0.02 0.00 0.00 175.30 175.46 2jov n GLY 14 N -0.86 -3.60 3.55 -3.53 0.00 -1.26 -1.50 105.19 97.99 2jov n GLY 14 Ca -0.06 -2.06 -0.38 0.00 0.00 0.00 0.00 46.02 43.52 2jov n GLY 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jov s SER 15 N -1.13 5.88 0.13 1.61 0.01 -1.26 -4.88 113.70 114.06 2jov s SER 15 Ca 0.00 -0.51 -0.02 0.00 1.31 0.00 0.00 55.95 56.73 2jov s SER 15 Cb 0.00 -2.55 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2jov s SER 15 CO 0.00 -2.02 0.21 2.29 0.41 0.00 0.00 173.24 174.13 2jov n LYS 16 N 9.16 0.31 -0.12 12.44 -0.00 -1.26 -4.48 118.16 134.20 2jov n LYS 16 Ca 0.19 -0.92 -0.24 0.00 -0.00 0.00 0.00 58.31 57.34 2jov n LYS 16 Cb 0.50 0.97 -0.08 0.00 -0.00 0.00 0.00 35.03 36.41 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 -0.20 0.55 -2.44 -1.58 3.00 -1.08 -4.92 118.16 111.49 2jov n LYS 17 Ca -0.01 0.24 -0.42 0.00 -0.00 0.00 0.00 58.31 58.11 2jov n LYS 17 Cb 0.21 -1.44 -0.03 0.00 0.00 0.00 0.00 35.03 33.77 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2jov s TYR 18 N -2.59 3.11 -0.66 5.64 1.51 -1.26 -4.89 117.35 118.21 2jov s TYR 18 Ca -0.35 1.16 0.25 0.00 -1.01 0.00 0.00 57.07 57.12 2jov s TYR 18 Cb 0.12 -3.45 0.71 0.00 -0.11 0.00 0.00 41.96 39.23 2jov s TYR 18 CO 0.46 -1.43 1.74 -0.91 -1.11 0.00 0.00 175.55 174.30 2jov h ASN 19 N 7.61 0.00 -4.49 2.29 2.35 -1.93 -3.43 115.58 117.97 2jov h ASN 19 Ca -0.33 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.24 2jov h ASN 19 Cb 1.15 0.00 -0.23 0.00 0.05 0.00 0.00 38.32 39.29 2jov h ASN 19 CO 0.90 0.00 -0.62 0.68 -1.65 0.00 0.00 177.43 176.74 2jov s VAL 20 N -3.13 0.06 -0.05 2.81 -7.23 -1.26 0.30 120.40 111.90 2jov s VAL 20 Ca 0.10 -0.49 0.04 0.00 -1.81 0.00 0.00 61.98 59.82 2jov s VAL 20 Cb 0.11 -0.25 -0.00 0.00 0.56 0.00 0.00 36.38 36.80 2jov s VAL 20 CO 0.61 -0.27 -0.19 0.54 -0.31 0.00 0.00 175.10 175.48 2jov s VAL 21 N -0.85 1.60 0.04 1.32 0.11 -0.20 -4.86 120.40 117.55 2jov s VAL 21 Ca -0.09 -0.80 -0.30 0.00 -2.93 0.00 0.00 61.98 57.85 2jov s VAL 21 Cb -0.06 -1.37 -0.07 0.00 -1.53 0.00 0.00 36.38 33.35 2jov s VAL 21 CO 0.00 0.46 1.46 -2.16 -3.33 0.00 0.00 175.10 171.53 2jov s PRO 22 N 0.08 4.27 0.30 1.54 0.04 -1.26 -1.86 135.00 138.11 2jov s PRO 22 Ca -0.06 2.08 0.09 0.00 0.04 0.00 0.00 61.00 63.15 2jov s PRO 22 Cb -0.13 -3.52 -0.05 0.00 0.04 0.00 0.00 34.50 30.84 2jov s PRO 22 CO 0.03 -0.59 0.01 0.14 0.04 0.00 0.00 177.00 176.63 2jov s VAL 23 N 2.22 3.04 0.34 -0.36 -7.23 0.77 -2.61 120.40 116.57 2jov s VAL 23 Ca 0.66 -1.94 0.02 0.00 -1.81 0.00 0.00 61.98 58.91 2jov s VAL 23 Cb -0.34 -2.80 -0.01 0.00 0.56 0.00 0.00 36.38 33.78 2jov s VAL 23 CO 0.29 -0.29 0.40 -1.59 -0.31 0.00 0.00 175.10 173.59 2jov s LYS 24 N -3.70 1.86 -0.13 4.82 -2.85 0.60 -1.66 119.74 118.68 2jov s LYS 24 Ca 0.33 -1.87 -0.02 0.00 -1.00 0.00 0.00 55.97 53.41 2jov s LYS 24 Cb -0.04 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.10 2jov s LYS 24 CO 0.20 -0.74 -0.04 -1.12 0.10 0.00 0.00 175.35 173.75 2jov s SER 25 N -3.30 4.81 0.18 0.03 0.01 -0.72 -1.14 113.70 113.58 2jov s SER 25 Ca 0.35 -0.07 -0.13 0.00 1.31 0.00 0.00 55.95 57.40 2jov s SER 25 Cb 0.01 -1.60 0.09 0.00 0.21 0.00 0.00 66.02 64.72 2jov s SER 25 CO 0.23 0.24 1.84 -1.13 0.41 0.00 0.00 173.24 174.83 2jov h ASN 26 N 6.16 0.60 -3.57 2.44 -1.24 -1.54 -3.44 115.58 114.98 2jov h ASN 26 Ca -0.38 -0.01 -0.64 0.00 0.71 0.00 0.00 56.30 55.98 2jov h ASN 26 Cb 1.19 -0.14 -0.20 0.00 0.73 0.00 0.00 38.32 39.90 2jov h ASN 26 CO 0.59 0.43 -0.84 -0.54 -1.29 0.00 0.00 177.43 175.79 2jov s LYS 27 N -6.15 1.41 0.36 6.67 1.02 -1.26 -4.97 119.74 116.83 2jov s LYS 27 Ca -0.13 -1.42 -0.28 0.00 0.02 0.00 0.00 55.97 54.16 2jov s LYS 27 Cb 0.13 -1.77 -0.11 0.00 -0.52 0.00 0.00 37.83 35.56 2jov s LYS 27 CO 0.75 0.40 1.47 -2.14 -0.92 0.00 0.00 175.35 174.90 2jov s PRO 28 N -2.40 4.15 -0.09 -1.68 0.02 -1.26 -4.69 135.00 129.05 2jov s PRO 28 Ca 0.17 2.52 0.01 0.00 0.02 0.00 0.00 61.00 63.71 2jov s PRO 28 Cb -0.09 -2.99 -0.02 0.00 0.02 0.00 0.00 34.50 31.42 2jov s PRO 28 CO 0.08 -0.49 -0.11 0.08 -0.33 0.00 0.00 177.00 176.23 2jov s VAL 29 N -1.01 3.32 -0.11 3.83 1.01 0.85 -4.73 120.40 123.56 2jov s VAL 29 Ca 0.53 -0.60 -0.34 0.00 0.00 0.00 0.00 61.98 61.57 2jov s VAL 29 Cb -0.46 -2.36 -0.11 0.00 0.00 0.00 0.00 36.38 33.45 2jov s VAL 29 CO 0.60 0.56 1.93 -0.62 0.00 0.00 0.00 175.10 177.57 2jov n GLU 30 N 2.76 2.13 0.08 2.72 -0.58 -1.26 -0.05 120.64 126.44 2jov n GLU 30 Ca -0.18 0.76 0.19 0.00 -0.42 0.00 0.00 57.16 57.51 2jov n GLU 30 Cb 0.53 -2.68 0.73 0.00 -0.57 0.00 0.00 31.44 29.44 2jov n GLU 30 CO 0.00 0.00 0.00 0.97 -0.48 0.00 0.00 177.13 177.62 2jov h ILE 31 N 5.69 0.61 0.00 -3.67 2.10 -1.77 0.15 117.51 120.62 2jov h ILE 31 Ca -0.47 0.00 0.00 0.00 1.08 0.00 0.00 64.86 65.47 2jov h ILE 31 Cb 1.27 0.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.76 2jov h ILE 31 CO 0.95 0.00 0.00 0.28 -1.08 0.00 0.00 178.15 178.30 2jov h SER 32 N 0.00 0.00 -0.60 2.19 0.02 -1.88 -1.97 113.55 111.31 2jov h SER 32 Ca 0.19 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.14 2jov h SER 32 Cb 0.84 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.38 2jov h SER 32 CO -0.00 0.00 0.00 0.29 -1.14 0.00 0.00 176.83 175.98 2jov n LYS 33 N -2.83 4.30 -0.35 3.45 5.02 0.04 -4.36 118.16 123.44 2jov n LYS 33 Ca -0.01 -3.03 0.02 0.00 -2.02 0.00 0.00 58.31 53.27 2jov n LYS 33 Cb 0.18 -2.08 0.16 0.00 -0.02 0.00 0.00 35.03 33.27 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 3.97 1.13 -0.39 2.13 7.01 -1.49 -2.55 115.95 125.75 2jov h TRP 34 Ca 0.00 0.03 -0.01 0.00 2.11 0.00 0.00 58.89 61.02 2jov h TRP 34 Cb 1.72 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 28.39 2jov h TRP 34 CO 0.92 0.59 0.19 0.82 -2.79 0.00 0.00 178.44 178.17 2jov h ILE 35 N 1.11 1.17 -0.01 2.65 2.04 -1.83 -1.08 117.51 121.57 2jov h ILE 35 Ca 0.41 -0.48 0.03 0.00 1.00 0.00 0.00 64.86 65.82 2jov h ILE 35 Cb 0.15 0.76 -0.05 0.00 -0.74 0.00 0.00 36.82 36.95 2jov h ILE 35 CO -0.17 0.18 -0.28 0.44 0.00 0.00 0.00 178.15 178.32 2jov h ASP 36 N 0.50 -0.85 -0.72 1.72 5.19 -1.77 0.06 116.42 120.55 2jov h ASP 36 Ca 0.14 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.62 2jov h ASP 36 Cb 0.11 0.35 -0.03 0.00 0.18 0.00 0.00 39.33 39.94 2jov h ASP 36 CO -0.02 -0.35 0.30 -0.26 -3.12 0.00 0.00 179.24 175.79 2jov h PHE 37 N -0.43 1.09 -0.26 4.55 -1.00 -1.36 -2.31 116.94 117.23 2jov h PHE 37 Ca 0.06 -0.08 -0.00 0.00 2.81 0.00 0.00 57.97 60.76 2jov h PHE 37 Cb 0.52 -0.33 -0.01 0.00 3.61 0.00 0.00 35.95 39.73 2jov h PHE 37 CO -0.32 0.83 0.15 1.03 -1.61 0.00 0.00 178.31 178.39 2jov h SER 38 N 1.03 0.31 0.45 2.17 0.87 -0.76 -0.95 113.55 116.68 2jov h SER 38 Ca 0.24 -0.07 -0.05 0.00 -1.23 0.00 0.00 61.79 60.68 2jov h SER 38 Cb 0.19 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.07 2jov h SER 38 CO -0.02 0.29 -0.26 0.78 -0.53 0.00 0.00 176.83 177.09 2jov h ASN 39 N 0.31 0.00 0.03 6.23 2.35 -0.77 -0.47 115.58 123.27 2jov h ASN 39 Ca 0.09 0.00 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2jov h ASN 39 Cb 0.04 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.42 2jov h ASN 39 CO -0.02 0.26 -0.42 0.58 -1.65 0.00 0.00 177.43 176.18 2jov h VAL 40 N 0.00 1.55 -0.01 2.81 2.07 -1.11 -3.28 116.25 118.28 2jov h VAL 40 Ca -0.00 -2.17 -0.12 0.00 0.82 0.00 0.00 66.70 65.23 2jov h VAL 40 Cb 0.55 2.92 -0.02 0.00 -1.52 0.00 0.00 31.29 33.22 2jov h VAL 40 CO 0.03 0.60 -0.57 -0.07 0.02 0.00 0.00 177.57 177.59 2jov h LEU 41 N -0.46 0.04 -1.43 2.57 3.38 -0.94 -2.36 115.31 116.11 2jov h LEU 41 Ca -0.06 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.87 2jov h LEU 41 Cb 1.22 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 41.95 2jov h LEU 41 CO 0.08 0.59 -0.11 0.77 0.09 0.00 0.00 178.44 179.86 2jov h SER 42 N 0.02 0.00 -0.47 -0.43 4.64 -1.21 -2.34 113.55 113.76 2jov h SER 42 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jov h SER 42 Cb 1.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.10 2jov h SER 42 CO 0.08 0.11 0.00 0.54 -0.87 0.00 0.00 176.83 176.69 2jov n ARG 43 N -3.29 2.90 -4.68 4.77 1.74 -1.00 -4.94 116.66 112.16 2jov n ARG 43 Ca -0.00 -2.32 -0.32 0.00 -0.77 0.00 0.00 57.85 54.44 2jov n ARG 43 Cb 0.34 -1.43 -0.12 0.00 -1.02 0.00 0.00 32.46 30.23 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 -1.16 2.80 0.01 0.55 2.96 -0.88 -5.07 118.68 117.89 2jov s LEU 44 Ca 0.33 -0.28 0.04 0.00 -0.22 0.00 0.00 54.13 54.00 2jov s LEU 44 Cb 0.18 -1.61 -0.01 0.00 0.50 0.00 0.00 46.19 45.25 2jov s LEU 44 CO 0.21 0.29 -0.12 -0.31 -1.32 0.00 0.00 176.35 175.10 2jov s TYR 45 N -0.89 1.08 0.04 5.38 2.02 -1.26 -4.50 117.35 119.22 2jov s TYR 45 Ca 0.14 -0.25 0.09 0.00 -0.37 0.00 0.00 57.07 56.68 2jov s TYR 45 Cb -0.11 -0.68 -0.03 0.00 -0.40 0.00 0.00 41.96 40.75 2jov s TYR 45 CO 0.04 -0.00 -0.25 0.54 -1.57 0.00 0.00 175.55 174.31 2jov s VAL 46 N -0.49 2.22 0.31 0.71 0.11 -0.94 -5.02 120.40 117.29 2jov s VAL 46 Ca 0.03 -1.32 0.09 0.00 -2.93 0.00 0.00 61.98 57.85 2jov s VAL 46 Cb -0.06 -1.86 -0.06 0.00 -1.53 0.00 0.00 36.38 32.88 2jov s VAL 46 CO 0.00 0.39 -0.11 -0.83 -3.33 0.00 0.00 175.10 171.23 2jov s GLY 47 N -1.18 2.02 0.08 6.54 0.00 -1.26 0.20 107.32 113.72 2jov s GLY 47 Ca 0.12 -1.99 0.00 0.00 0.00 0.00 0.00 44.72 42.85 2jov s GLY 47 CO 0.02 -1.96 0.00 -0.62 0.00 0.00 0.00 173.10 170.54 2jov n VAL 48 N -0.69 -2.47 -1.51 1.40 0.31 -0.56 -4.82 118.33 109.98 2jov n VAL 48 Ca -0.05 0.61 -0.48 0.00 -0.01 0.00 0.00 64.34 64.41 2jov n VAL 48 Cb 0.63 -1.75 -0.06 0.00 -0.91 0.00 0.00 33.84 31.75 2jov n VAL 48 CO 0.00 0.00 0.00 -0.81 -1.32 0.00 0.00 176.83 174.70 2jov n PRO 49 N -0.16 1.43 -0.40 5.55 -0.04 -1.26 -4.93 135.00 135.19 2jov n PRO 49 Ca 0.00 0.40 0.00 0.00 -0.04 0.00 0.00 63.50 63.86 2jov n PRO 49 Cb 0.00 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 30.74 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 7.23 0.00 -2.29 0.52 -2.24 -1.26 -4.82 114.28 111.42 2jov n THR 50 Ca 0.36 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.14 2jov n THR 50 Cb 0.30 -1.04 0.00 0.00 -2.10 0.00 0.00 70.33 67.49 2jov n THR 50 CO 0.00 0.00 0.00 2.29 -0.57 0.00 0.00 175.07 176.79 2jov n LYS 51 N -0.42 2.57 -3.76 -0.78 2.85 -1.26 -1.05 118.16 116.31 2jov n LYS 51 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2jov n LYS 51 Cb 0.00 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.31 2jov n LYS 51 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 2jov s SER 52 N 1.00 6.37 0.00 -5.58 0.01 -1.26 -3.64 113.70 110.60 2jov s SER 52 Ca 0.00 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.70 2jov s SER 52 Cb 0.00 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 64.12 2jov s SER 52 CO 0.00 0.29 0.00 0.61 0.41 0.00 0.00 173.24 174.55 2jov n GLY 53 N 2.62 1.34 3.55 3.44 0.00 0.11 -4.95 105.19 111.29 2jov n GLY 53 Ca -0.17 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.38 2jov n GLY 53 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2jov s ASN 54 N -2.06 6.10 -0.92 1.61 0.01 -0.78 -4.83 114.94 114.05 2jov s ASN 54 Ca 0.00 -0.46 -0.24 0.00 -0.71 0.00 0.00 52.86 51.45 2jov s ASN 54 Cb 0.00 -2.56 0.03 0.00 0.41 0.00 0.00 41.25 39.13 2jov s ASN 54 CO 0.00 -1.87 1.52 -0.69 -1.51 0.00 0.00 177.10 174.55 2jov s VAL 55 N 6.02 3.77 0.00 1.60 1.01 -1.26 -0.75 120.40 130.80 2jov s VAL 55 Ca 0.39 -0.41 -0.21 0.00 0.00 0.00 0.00 61.98 61.76 2jov s VAL 55 Cb -0.08 -4.80 -0.20 0.00 0.00 0.00 0.00 36.38 31.30 2jov s VAL 55 CO 0.13 -1.71 1.15 -0.37 0.00 0.00 0.00 175.10 174.31 2jov h VAL 56 N 6.72 1.43 -3.20 2.92 -1.51 -1.45 -3.43 116.25 117.73 2jov h VAL 56 Ca 0.06 -1.83 -0.51 0.00 -1.23 0.00 0.00 66.70 63.20 2jov h VAL 56 Cb 1.03 2.42 -0.37 0.00 -2.13 0.00 0.00 31.29 32.23 2jov h VAL 56 CO 1.35 0.53 -0.79 0.00 -1.23 0.00 0.00 177.57 177.42 2jov s LYS 58 N 1.76 3.09 -1.74 0.00 2.20 -1.26 -0.58 119.74 123.20 2jov s LYS 58 Ca 0.05 -0.44 -0.20 0.00 -0.36 0.00 0.00 55.97 55.02 2jov s LYS 58 Cb -0.12 -2.88 0.18 0.00 -1.51 0.00 0.00 37.83 33.50 2jov s LYS 58 CO -0.07 0.67 0.73 0.27 -0.36 0.00 0.00 175.35 176.58 2jov n ASN 59 N 1.41 -2.90 -4.68 1.43 6.94 -0.25 -4.81 115.26 112.40 2jov n ASN 59 Ca -0.15 -1.06 -0.46 0.00 -0.02 0.00 0.00 54.58 52.90 2jov n ASN 59 Cb 0.53 -2.40 -0.04 0.00 -2.36 0.00 0.00 39.78 35.51 2jov n ASN 59 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 2jov n ILE 60 N -4.26 0.18 -2.32 1.53 3.06 -1.22 -1.28 119.36 115.05 2jov n ILE 60 Ca 0.09 -0.03 -0.17 0.00 -2.50 0.00 0.00 62.75 60.14 2jov n ILE 60 Cb 0.48 -1.70 -0.01 0.00 0.54 0.00 0.00 39.64 38.95 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 4.44 -1.38 -1.23 9.51 2.81 -1.26 -2.51 117.12 127.50 2jov n MET 61 Ca 0.18 0.84 -0.08 0.00 -1.81 0.00 0.00 57.70 56.83 2jov n MET 61 Cb 0.30 -5.30 -0.03 0.00 -0.71 0.00 0.00 33.22 27.48 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 -1.29 -4.29 -0.00 7.83 5.03 -0.40 -4.92 115.26 117.21 2jov n ASN 62 Ca -0.20 0.20 -0.01 0.00 0.87 0.00 0.00 54.58 55.43 2jov n ASN 62 Cb 0.65 -2.50 -0.01 0.00 -1.02 0.00 0.00 39.78 36.91 2jov n ASN 62 CO 0.00 0.00 0.00 0.71 -1.83 0.00 0.00 177.26 176.14 2jov h THR 63 N 0.00 0.00 0.00 3.41 1.35 -1.52 -3.49 112.91 112.66 2jov h THR 63 Ca -0.16 -0.78 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 2jov h THR 63 Cb 0.63 0.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.05 2jov h THR 63 CO 0.24 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.12 2jov n GLY 64 N 1.55 0.72 3.80 5.82 0.00 -1.26 -5.01 105.19 110.82 2jov n GLY 64 Ca -0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.67 4.66 -0.35 1.61 1.01 -1.26 -4.57 120.40 119.83 2jov s VAL 65 Ca 0.00 1.32 -0.17 0.00 0.00 0.00 0.00 61.98 63.14 2jov s VAL 65 Cb 0.00 -3.95 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2jov s VAL 65 CO 0.00 0.55 0.43 -1.81 0.00 0.00 0.00 175.10 174.27 2jov s ASP 66 N -1.10 6.24 -0.55 3.32 1.11 -1.26 -1.09 116.67 123.34 2jov s ASP 66 Ca 0.30 -0.19 -0.26 0.00 0.18 0.00 0.00 52.55 52.58 2jov s ASP 66 Cb -0.20 -2.23 0.03 0.00 1.07 0.00 0.00 42.92 41.59 2jov s ASP 66 CO 0.21 -0.42 1.06 -0.63 1.18 0.00 0.00 175.17 176.57 2jov s ILE 67 N 2.18 4.22 -0.07 0.77 -1.09 0.25 -1.27 121.20 126.20 2jov s ILE 67 Ca 0.15 0.64 0.05 0.00 -2.23 0.00 0.00 60.65 59.26 2jov s ILE 67 Cb -0.16 -4.62 -0.01 0.00 -1.58 0.00 0.00 42.46 36.09 2jov s ILE 67 CO 0.13 -1.18 -0.24 0.27 -1.23 0.00 0.00 174.94 172.69 2jov s ILE 68 N 4.40 2.16 0.40 2.92 -4.36 -0.29 -1.04 121.20 125.39 2jov s ILE 68 Ca 0.37 -1.01 -0.23 0.00 -0.26 0.00 0.00 60.65 59.52 2jov s ILE 68 Cb -0.10 -1.80 -0.10 0.00 1.25 0.00 0.00 42.46 41.71 2jov s ILE 68 CO 0.23 0.57 0.98 0.00 0.24 0.00 0.00 174.94 176.96 2jov n THR 70 N -0.24 0.51 -4.11 0.00 5.66 -1.07 0.04 114.28 115.07 2jov n THR 70 Ca 0.05 -0.57 -0.34 0.00 -3.05 0.00 0.00 64.05 60.14 2jov n THR 70 Cb 0.52 0.58 -0.14 0.00 -1.55 0.00 0.00 70.33 69.74 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 -0.66 3.36 -0.32 1.09 2.20 -1.24 -4.54 119.74 119.63 2jov s LYS 71 Ca 0.05 -0.65 -0.28 0.00 -0.36 0.00 0.00 55.97 54.72 2jov s LYS 71 Cb 0.04 -2.89 -0.02 0.00 -1.51 0.00 0.00 37.83 33.45 2jov s LYS 71 CO 0.00 -0.10 1.81 -0.80 -0.36 0.00 0.00 175.35 175.90 2jov s ASN 72 N 1.20 5.90 -0.31 1.43 0.02 -1.26 -4.35 114.94 117.57 2jov s ASN 72 Ca 0.02 1.33 -0.22 0.00 -1.02 0.00 0.00 52.86 52.97 2jov s ASN 72 Cb -0.14 -2.53 -0.00 0.00 0.02 0.00 0.00 41.25 38.60 2jov s ASN 72 CO -0.02 -1.70 0.74 -0.76 0.02 0.00 0.00 177.10 175.38 2jov s LEU 73 N 6.87 4.11 0.57 0.60 1.43 -0.22 -4.97 118.68 127.06 2jov s LEU 73 Ca 0.80 0.59 -0.08 0.00 -1.03 0.00 0.00 54.13 54.41 2jov s LEU 73 Cb -0.23 -3.00 -0.03 0.00 0.03 0.00 0.00 46.19 42.97 2jov s LEU 73 CO 0.34 -0.58 0.92 -2.16 0.23 0.00 0.00 176.35 175.10 2jov s PRO 74 N 2.86 3.44 -0.18 1.29 0.04 -1.26 -4.30 135.00 136.89 2jov s PRO 74 Ca 0.30 0.41 0.08 0.00 0.04 0.00 0.00 61.00 61.84 2jov s PRO 74 Cb -0.14 -2.22 -0.17 0.00 0.04 0.00 0.00 34.50 32.01 2jov s PRO 74 CO 0.12 -0.47 -0.05 1.63 0.04 0.00 0.00 177.00 178.27 2jov n LYS 75 N -2.55 0.99 -4.48 4.56 5.02 -1.26 -2.63 118.16 117.82 2jov n LYS 75 Ca 0.04 0.05 -0.34 0.00 -2.02 0.00 0.00 58.31 56.04 2jov n LYS 75 Cb 0.55 -1.41 -0.12 0.00 -0.02 0.00 0.00 35.03 34.03 2jov n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2jov s ASP 76 N -5.42 4.71 -0.73 4.39 1.11 -1.26 -4.14 116.67 115.34 2jov s ASP 76 Ca -0.17 -0.12 -0.25 0.00 0.18 0.00 0.00 52.55 52.19 2jov s ASP 76 Cb 0.06 -1.65 0.05 0.00 1.07 0.00 0.00 42.92 42.45 2jov s ASP 76 CO 0.56 0.21 1.17 -0.44 1.18 0.00 0.00 175.17 177.85 2jov s SER 77 N 0.10 6.19 -0.33 0.27 0.01 -1.26 -4.97 113.70 113.70 2jov s SER 77 Ca -0.01 -0.73 -0.27 0.00 1.31 0.00 0.00 55.95 56.25 2jov s SER 77 Cb -0.14 -2.51 -0.05 0.00 0.21 0.00 0.00 66.02 63.54 2jov s SER 77 CO 0.03 -1.66 2.18 -0.76 0.41 0.00 0.00 173.24 173.43 2jov s LEU 78 N 5.03 3.43 -0.20 2.44 1.43 -1.26 -4.87 118.68 124.68 2jov s LEU 78 Ca 0.31 1.48 -0.28 0.00 -1.03 0.00 0.00 54.13 54.60 2jov s LEU 78 Cb -0.11 -3.19 -0.05 0.00 0.03 0.00 0.00 46.19 42.87 2jov s LEU 78 CO 0.12 -2.19 2.07 -1.61 0.23 0.00 0.00 176.35 174.96 2jov s GLU 79 N 6.79 3.36 -1.28 1.70 2.02 -1.26 -4.86 118.70 125.17 2jov s GLU 79 Ca 0.94 1.98 -0.18 0.00 0.02 0.00 0.00 54.97 57.74 2jov s GLU 79 Cb -0.26 -4.29 0.02 0.00 0.10 0.00 0.00 34.13 29.70 2jov s GLU 79 CO 0.32 -1.84 1.92 0.72 0.02 0.00 0.00 175.26 176.39 2jov n HIS 80 N 10.61 3.84 -3.16 1.61 8.25 -1.26 -4.94 115.22 130.17 2jov n HIS 80 Ca 0.26 -2.59 -0.34 0.00 -0.26 0.00 0.00 57.72 54.80 2jov n HIS 80 Cb 0.45 -2.54 -0.06 0.00 1.12 0.00 0.00 29.99 28.96 2jov n HIS 80 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2jov s HIS 81 N 5.01 3.50 -0.00 4.41 3.76 -1.26 -5.00 115.29 125.71 2jov s HIS 81 Ca 0.55 1.25 0.19 0.00 -0.15 0.00 0.00 55.06 56.89 2jov s HIS 81 Cb 0.07 -2.53 0.31 0.00 1.11 0.00 0.00 32.58 31.54 2jov s HIS 81 CO 0.05 0.23 1.12 1.58 -0.85 0.00 0.00 174.74 176.87 2jov n HIS 82 N 0.16 0.00 -3.76 1.40 -0.00 -1.26 -4.77 115.22 107.00 2jov n HIS 82 Ca 0.00 -0.38 -0.30 0.00 0.46 0.00 0.00 57.72 57.51 2jov n HIS 82 Cb 0.52 -0.12 -0.15 0.00 -0.12 0.00 0.00 29.99 30.12 2jov n HIS 82 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2jov s HIS 83 N -0.06 1.76 -1.15 1.57 5.04 -1.26 -4.71 115.29 116.47 2jov s HIS 83 Ca 0.25 -1.68 0.00 0.00 -1.54 0.00 0.00 55.06 52.09 2jov s HIS 83 Cb 0.28 -1.67 0.00 0.00 0.04 0.00 0.00 32.58 31.23 2jov s HIS 83 CO -0.12 -0.84 0.00 1.58 -2.34 0.00 0.00 174.74 173.02 2jov n HIS 84 N 4.84 -0.39 1.03 3.88 -0.00 -1.26 -5.30 115.22 118.01 2jov n HIS 84 Ca -0.03 0.00 0.12 0.00 -0.00 0.00 0.00 57.72 57.81 2jov n HIS 84 Cb 0.43 -2.61 0.12 0.00 -0.00 0.00 0.00 29.99 27.93 2jov n HIS 84 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92