#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 -4.04 -3.70 1.12 -0.00 -1.26 -4.24 115.22 103.11 2jov n HIS 2 Ca 0.00 2.06 -0.36 0.00 -0.00 0.00 0.00 57.72 59.42 2jov n HIS 2 Cb 0.00 -3.86 -0.09 0.00 -0.00 0.00 0.00 29.99 26.04 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 -1.16 4.11 -0.03 -0.41 -0.14 -1.26 -1.49 119.74 119.36 2jov s LYS 3 Ca -0.13 -0.25 0.02 0.00 -1.36 0.00 0.00 55.97 54.25 2jov s LYS 3 Cb 0.01 -3.48 0.01 0.00 -1.68 0.00 0.00 37.83 32.68 2jov s LYS 3 CO 0.75 0.16 -0.09 0.34 -0.76 0.00 0.00 175.35 175.75 2jov s ASP 4 N 0.77 1.25 0.13 2.83 2.15 0.19 -4.70 116.67 119.30 2jov s ASP 4 Ca 0.08 -0.19 -0.33 0.00 0.43 0.00 0.00 52.55 52.53 2jov s ASP 4 Cb -0.12 -0.39 -0.12 0.00 -0.30 0.00 0.00 42.92 41.98 2jov s ASP 4 CO 0.02 0.05 1.73 -0.38 -0.17 0.00 0.00 175.17 176.42 2jov n ILE 5 N 3.42 0.18 -3.61 4.11 2.08 -1.26 -0.02 119.36 124.26 2jov n ILE 5 Ca -0.19 -0.03 -0.39 0.00 0.56 0.00 0.00 62.75 62.69 2jov n ILE 5 Cb 0.54 -1.87 -0.11 0.00 -0.75 0.00 0.00 39.64 37.45 2jov n ILE 5 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2jov s PHE 6 N 1.89 3.20 -0.02 1.39 5.36 -1.26 -4.86 117.98 123.68 2jov s PHE 6 Ca 0.80 -0.43 0.07 0.00 -0.96 0.00 0.00 56.93 56.42 2jov s PHE 6 Cb -0.58 -2.40 -0.02 0.00 -0.34 0.00 0.00 43.02 39.69 2jov s PHE 6 CO 0.38 -0.42 -0.25 0.99 -1.46 0.00 0.00 175.22 174.47 2jov s THR 7 N 1.66 1.94 0.39 0.12 2.01 -1.26 -2.37 115.64 118.12 2jov s THR 7 Ca 0.05 -1.05 -0.14 0.00 0.31 0.00 0.00 61.69 60.87 2jov s THR 7 Cb -0.17 -1.62 0.05 0.00 0.01 0.00 0.00 72.50 70.77 2jov s THR 7 CO 0.08 0.55 0.76 -0.44 -0.69 0.00 0.00 174.62 174.88 2jov s SER 8 N -0.52 0.13 -0.12 3.53 0.01 -0.57 -5.02 113.70 111.14 2jov s SER 8 Ca 0.08 -1.21 0.02 0.00 1.31 0.00 0.00 55.95 56.14 2jov s SER 8 Cb -0.10 0.84 -0.01 0.00 0.21 0.00 0.00 66.02 66.96 2jov s SER 8 CO -0.00 -1.67 -0.18 0.68 0.41 0.00 0.00 173.24 172.48 2jov s VAL 9 N -2.31 2.65 0.19 3.43 -7.23 -1.26 -0.25 120.40 115.62 2jov s VAL 9 Ca 0.17 -0.81 0.07 0.00 -1.81 0.00 0.00 61.98 59.61 2jov s VAL 9 Cb -0.05 -2.08 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2jov s VAL 9 CO 0.13 0.54 0.04 0.54 -0.31 0.00 0.00 175.10 176.03 2jov s VAL 10 N 0.32 3.89 -0.01 1.32 0.11 -0.09 -4.86 120.40 121.07 2jov s VAL 10 Ca -0.14 -1.41 -0.30 0.00 -2.93 0.00 0.00 61.98 57.20 2jov s VAL 10 Cb -0.17 -2.98 -0.06 0.00 -1.53 0.00 0.00 36.38 31.64 2jov s VAL 10 CO 0.07 -0.15 1.48 -0.13 -3.33 0.00 0.00 175.10 173.03 2jov s ARG 11 N -3.11 4.25 -0.11 1.54 1.81 -1.26 -0.80 118.95 121.28 2jov s ARG 11 Ca 0.29 2.04 -0.02 0.00 -1.72 0.00 0.00 55.73 56.32 2jov s ARG 11 Cb -0.09 -3.66 -0.03 0.00 -0.45 0.00 0.00 34.95 30.72 2jov s ARG 11 CO 0.20 -0.66 -0.01 0.54 -0.68 0.00 0.00 175.30 174.69 2jov s VAL 12 N 2.80 4.21 0.44 3.52 0.11 -1.13 -1.74 120.40 128.61 2jov s VAL 12 Ca 0.66 -0.27 0.02 0.00 -2.93 0.00 0.00 61.98 59.46 2jov s VAL 12 Cb -0.32 -2.79 -0.01 0.00 -1.53 0.00 0.00 36.38 31.73 2jov s VAL 12 CO 0.27 0.57 0.08 0.54 -3.33 0.00 0.00 175.10 173.23 2jov n ARG 13 N 2.57 0.69 0.00 1.54 1.74 0.10 -4.68 116.66 118.61 2jov n ARG 13 Ca -0.18 -3.48 0.00 0.00 -0.77 0.00 0.00 57.85 53.42 2jov n ARG 13 Cb 0.53 1.45 0.00 0.00 -1.02 0.00 0.00 32.46 33.42 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 -0.80 -0.69 0.68 -0.13 0.00 -1.26 -3.36 105.19 99.62 2jov n GLY 14 Ca -0.12 -2.15 0.02 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 1.81 -4.09 1.61 7.64 -1.26 -4.88 113.62 114.45 2jov n SER 15 Ca 0.00 -2.15 -0.29 0.00 1.01 0.00 0.00 58.87 57.43 2jov n SER 15 Cb 0.00 -0.38 0.19 0.00 -1.01 0.00 0.00 64.21 63.01 2jov n SER 15 CO 0.00 0.00 0.00 -1.59 -3.01 0.00 0.00 175.04 170.44 2jov s LYS 16 N -1.58 0.56 -0.57 1.43 0.00 -1.26 -4.53 119.74 113.80 2jov s LYS 16 Ca 0.14 -0.53 0.07 0.00 0.00 0.00 0.00 55.97 55.65 2jov s LYS 16 Cb 0.10 -1.87 0.26 0.00 0.00 0.00 0.00 37.83 36.31 2jov s LYS 16 CO 0.06 -2.44 0.70 1.63 0.00 0.00 0.00 175.35 175.30 2jov n LYS 17 N -3.75 2.06 -3.97 1.78 5.02 -1.25 -5.01 118.16 113.04 2jov n LYS 17 Ca 0.16 -4.28 -0.12 0.00 -2.02 0.00 0.00 58.31 52.05 2jov n LYS 17 Cb 0.59 -1.97 -0.01 0.00 -0.02 0.00 0.00 35.03 33.62 2jov n LYS 17 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2jov s TYR 18 N -2.19 0.68 0.00 2.13 2.02 -1.26 -5.02 117.35 113.71 2jov s TYR 18 Ca 0.39 -1.10 0.00 0.00 -0.37 0.00 0.00 57.07 56.00 2jov s TYR 18 Cb 0.17 0.31 0.00 0.00 -0.40 0.00 0.00 41.96 42.03 2jov s TYR 18 CO -0.04 -1.33 0.00 -1.71 -1.57 0.00 0.00 175.55 170.90 2jov n ASN 19 N -1.44 3.02 -3.89 2.29 2.85 -1.26 -4.94 115.26 111.88 2jov n ASN 19 Ca -0.03 0.00 -0.11 0.00 -0.11 0.00 0.00 54.58 54.33 2jov n ASN 19 Cb 0.61 0.49 -0.10 0.00 1.24 0.00 0.00 39.78 42.02 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -2.11 0.00 0.00 177.26 175.83 2jov s VAL 20 N -1.35 0.08 -0.05 3.44 -7.23 -1.26 -2.84 120.40 111.19 2jov s VAL 20 Ca 0.00 -0.69 0.02 0.00 -1.81 0.00 0.00 61.98 59.50 2jov s VAL 20 Cb 0.00 -0.38 0.01 0.00 0.56 0.00 0.00 36.38 36.57 2jov s VAL 20 CO 0.00 -0.38 -0.08 0.54 -0.31 0.00 0.00 175.10 174.87 2jov s VAL 21 N -1.31 0.79 0.15 1.32 0.11 0.02 -4.83 120.40 116.66 2jov s VAL 21 Ca -0.14 -0.30 -0.31 0.00 -2.93 0.00 0.00 61.98 58.30 2jov s VAL 21 Cb -0.08 -0.75 -0.08 0.00 -1.53 0.00 0.00 36.38 33.94 2jov s VAL 21 CO 0.01 0.27 1.37 -2.84 -3.33 0.00 0.00 175.10 170.58 2jov s PRO 22 N 0.63 4.34 0.09 1.54 0.02 -1.26 -0.91 135.00 139.44 2jov s PRO 22 Ca -0.10 2.09 0.05 0.00 0.02 0.00 0.00 61.00 63.05 2jov s PRO 22 Cb -0.13 -3.22 -0.03 0.00 0.02 0.00 0.00 34.50 31.14 2jov s PRO 22 CO 0.01 -0.38 -0.12 0.14 -0.33 0.00 0.00 177.00 176.32 2jov s VAL 23 N 0.71 1.06 0.25 3.83 -7.23 0.65 -3.65 120.40 116.03 2jov s VAL 23 Ca 0.62 -1.48 0.01 0.00 -1.81 0.00 0.00 61.98 59.32 2jov s VAL 23 Cb -0.37 -1.22 -0.03 0.00 0.56 0.00 0.00 36.38 35.31 2jov s VAL 23 CO 0.34 -0.38 0.22 -1.59 -0.31 0.00 0.00 175.10 173.37 2jov s LYS 24 N -2.25 1.44 -0.14 4.82 -2.85 0.58 -1.51 119.74 119.84 2jov s LYS 24 Ca 0.02 -1.74 -0.03 0.00 -1.00 0.00 0.00 55.97 53.22 2jov s LYS 24 Cb -0.07 0.31 -0.03 0.00 -2.06 0.00 0.00 37.83 35.99 2jov s LYS 24 CO 0.02 -0.51 -0.05 -1.54 0.10 0.00 0.00 175.35 173.36 2jov s SER 25 N -3.23 4.71 0.37 0.03 1.04 -1.00 -1.30 113.70 114.33 2jov s SER 25 Ca 0.38 -0.12 0.18 0.00 0.48 0.00 0.00 55.95 56.87 2jov s SER 25 Cb 0.05 -1.67 0.64 0.00 0.10 0.00 0.00 66.02 65.13 2jov s SER 25 CO 0.18 0.20 1.71 -0.55 0.98 0.00 0.00 173.24 175.76 2jov h ASN 26 N 6.43 0.00 -3.69 7.02 -1.07 -1.89 -3.43 115.58 118.95 2jov h ASN 26 Ca -0.34 0.00 -0.64 0.00 0.07 0.00 0.00 56.30 55.40 2jov h ASN 26 Cb 1.19 0.00 -0.32 0.00 -2.07 0.00 0.00 38.32 37.12 2jov h ASN 26 CO 0.60 0.38 -0.86 -0.54 0.07 0.00 0.00 177.43 177.08 2jov s LYS 27 N -3.56 2.46 0.16 4.14 1.02 -1.26 -5.03 119.74 117.66 2jov s LYS 27 Ca 0.00 -0.77 -0.34 0.00 0.02 0.00 0.00 55.97 54.88 2jov s LYS 27 Cb 0.11 -1.99 -0.15 0.00 -0.52 0.00 0.00 37.83 35.28 2jov s LYS 27 CO 0.69 0.24 1.30 -2.30 -0.92 0.00 0.00 175.35 174.36 2jov n PRO 28 N 3.29 1.43 -3.37 -1.68 -0.02 -1.26 -4.80 135.00 128.58 2jov n PRO 28 Ca -0.19 0.51 -0.38 0.00 -2.02 0.00 0.00 63.50 61.42 2jov n PRO 28 Cb 0.52 -2.10 -0.08 0.00 -0.02 0.00 0.00 33.50 31.83 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 0.11 5.18 0.26 -1.45 1.01 0.98 -4.52 120.40 121.98 2jov s VAL 29 Ca 0.76 0.72 -0.30 0.00 0.00 0.00 0.00 61.98 63.15 2jov s VAL 29 Cb -0.82 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 31.72 2jov s VAL 29 CO 0.49 0.23 1.51 -0.70 0.00 0.00 0.00 175.10 176.63 2jov s GLU 30 N 1.44 4.20 -0.95 2.72 2.12 -1.26 0.57 118.70 127.54 2jov s GLU 30 Ca 0.19 2.43 -0.16 0.00 0.36 0.00 0.00 54.97 57.78 2jov s GLU 30 Cb -0.15 -3.07 -0.10 0.00 0.26 0.00 0.00 34.13 31.07 2jov s GLU 30 CO 0.08 -0.52 2.06 0.44 -0.54 0.00 0.00 175.26 176.78 2jov n ILE 31 N 2.33 2.32 0.00 -3.70 -5.35 -0.55 -2.63 119.36 111.78 2jov n ILE 31 Ca 0.08 -1.81 0.00 0.00 -0.27 0.00 0.00 62.75 60.75 2jov n ILE 31 Cb 0.39 -2.33 0.00 0.00 -1.74 0.00 0.00 39.64 35.96 2jov n ILE 31 CO 0.00 0.00 0.00 -1.54 -1.76 0.00 0.00 176.55 173.25 2jov n SER 32 N 6.30 0.00 -0.78 7.28 3.41 -1.26 -4.86 113.62 123.71 2jov n SER 32 Ca 0.50 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 59.22 2jov n SER 32 Cb 0.33 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.59 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 -0.60 2.03 -0.05 4.33 4.01 -1.08 -4.50 118.16 122.31 2jov n LYS 33 Ca 0.00 -1.54 -0.08 0.00 -0.51 0.00 0.00 58.31 56.18 2jov n LYS 33 Cb 0.00 -1.45 -0.02 0.00 -0.51 0.00 0.00 35.03 33.05 2jov n LYS 33 CO 0.00 0.00 0.00 2.35 -1.11 0.00 0.00 177.40 178.64 2jov h TRP 34 N 3.21 -0.57 -0.17 2.13 2.91 -1.89 0.20 115.95 121.77 2jov h TRP 34 Ca 0.00 0.04 -0.20 0.00 1.13 0.00 0.00 58.89 59.86 2jov h TRP 34 Cb 0.70 0.29 0.00 0.00 -0.51 0.00 0.00 29.16 29.64 2jov h TRP 34 CO 0.12 -0.30 -0.69 0.82 -1.03 0.00 0.00 178.44 177.37 2jov h ILE 35 N -0.22 1.31 -0.67 2.65 2.04 -1.96 -2.73 117.51 117.92 2jov h ILE 35 Ca 0.14 -1.94 -0.02 0.00 1.00 0.00 0.00 64.86 64.03 2jov h ILE 35 Cb 0.43 1.91 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2jov h ILE 35 CO -0.37 0.61 0.32 -0.78 0.00 0.00 0.00 178.15 177.93 2jov h ASP 36 N 0.49 0.86 0.02 1.72 1.82 -1.71 -0.73 116.42 118.90 2jov h ASP 36 Ca -0.03 -0.09 -0.00 0.00 -0.39 0.00 0.00 57.03 56.52 2jov h ASP 36 Cb 1.29 -0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.08 2jov h ASP 36 CO 0.14 0.73 -0.01 -0.26 -1.61 0.00 0.00 179.24 178.23 2jov h PHE 37 N 0.95 -0.03 0.00 0.28 -1.00 -0.45 -1.61 116.94 115.08 2jov h PHE 37 Ca 0.23 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 61.00 2jov h PHE 37 Cb 0.10 0.01 -0.00 0.00 3.61 0.00 0.00 35.95 39.67 2jov h PHE 37 CO 0.01 -0.01 -0.08 0.66 -1.61 0.00 0.00 178.31 177.28 2jov h SER 38 N -0.04 0.00 0.00 2.17 4.64 -1.11 0.53 113.55 119.75 2jov h SER 38 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2jov h SER 38 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2jov h SER 38 CO 0.00 0.08 -0.00 0.78 -0.87 0.00 0.00 176.83 176.82 2jov h ASN 39 N 0.00 -0.00 -0.65 4.97 2.35 -0.48 -1.88 115.58 119.89 2jov h ASN 39 Ca -0.00 -0.30 -0.04 0.00 -0.55 0.00 0.00 56.30 55.41 2jov h ASN 39 Cb 0.21 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 2jov h ASN 39 CO 0.01 0.30 0.24 0.58 -1.65 0.00 0.00 177.43 176.90 2jov h VAL 40 N -0.30 1.24 0.00 2.81 2.07 -0.50 -2.48 116.25 119.08 2jov h VAL 40 Ca -0.00 -0.79 -0.03 0.00 0.82 0.00 0.00 66.70 66.70 2jov h VAL 40 Cb 0.30 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.60 2jov h VAL 40 CO 0.00 0.31 -0.15 -0.07 0.02 0.00 0.00 177.57 177.68 2jov h LEU 41 N 0.93 0.00 -0.18 2.57 3.38 -0.90 -0.91 115.31 120.19 2jov h LEU 41 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jov h LEU 41 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 2jov h LEU 41 CO -0.01 0.15 0.00 -1.20 0.09 0.00 0.00 178.44 177.46 2jov n SER 42 N -4.27 0.25 -0.65 -0.43 7.64 -0.71 -1.63 113.62 113.83 2jov n SER 42 Ca -0.02 0.55 0.07 0.00 1.01 0.00 0.00 58.87 60.48 2jov n SER 42 Cb 0.22 -0.61 0.11 0.00 -1.01 0.00 0.00 64.21 62.92 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 -1.77 1.66 -3.57 1.43 1.74 -0.38 -4.94 116.66 110.84 2jov n ARG 43 Ca 0.04 -1.66 -0.38 0.00 -0.77 0.00 0.00 57.85 55.08 2jov n ARG 43 Cb 0.24 -1.29 -0.11 0.00 -1.02 0.00 0.00 32.46 30.28 2jov n ARG 43 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2jov s LEU 44 N -1.10 4.04 -0.34 0.55 1.43 -0.64 -5.03 118.68 117.59 2jov s LEU 44 Ca 0.21 0.00 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 2jov s LEU 44 Cb 0.13 -2.15 0.10 0.00 0.03 0.00 0.00 46.19 44.29 2jov s LEU 44 CO 0.18 -0.07 0.05 -0.31 0.23 0.00 0.00 176.35 176.43 2jov s TYR 45 N 1.79 3.71 0.55 0.29 1.51 -1.26 -4.14 117.35 119.80 2jov s TYR 45 Ca 0.08 -2.91 -0.02 0.00 -1.01 0.00 0.00 57.07 53.21 2jov s TYR 45 Cb -0.16 -2.86 0.11 0.00 -0.11 0.00 0.00 41.96 38.94 2jov s TYR 45 CO 0.11 -0.94 0.75 1.33 -1.11 0.00 0.00 175.55 175.69 2jov n VAL 46 N 4.29 0.00 -3.25 0.71 0.24 -0.71 -4.86 118.33 114.75 2jov n VAL 46 Ca 0.02 -1.08 0.00 0.00 -2.04 0.00 0.00 64.34 61.24 2jov n VAL 46 Cb 0.42 -1.11 0.00 0.00 -1.47 0.00 0.00 33.84 31.68 2jov n VAL 46 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2jov n GLY 47 N -0.64 1.48 2.10 7.63 0.00 -1.26 0.02 105.19 114.52 2jov n GLY 47 Ca 0.12 -0.90 -0.03 0.00 0.00 0.00 0.00 46.02 45.21 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 -8.95 -1.57 1.61 0.31 -1.21 -4.85 118.33 103.67 2jov n VAL 48 Ca 0.00 1.71 -0.43 0.00 -0.01 0.00 0.00 64.34 65.61 2jov n VAL 48 Cb 0.00 -5.27 -0.04 0.00 -0.91 0.00 0.00 33.84 27.62 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 1.03 1.67 -0.76 5.55 -0.04 -1.26 -4.94 135.00 136.24 2jov n PRO 49 Ca -0.23 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 2jov n PRO 49 Cb 0.35 -3.13 0.00 0.00 -0.04 0.00 0.00 33.50 30.68 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 7.72 0.00 -4.45 0.52 -2.24 -1.25 -4.79 114.28 109.78 2jov n THR 50 Ca 0.33 0.00 -0.22 0.00 -2.27 0.00 0.00 64.05 61.90 2jov n THR 50 Cb 0.42 -0.56 -0.11 0.00 -2.10 0.00 0.00 70.33 67.99 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 -0.05 1.65 0.31 -0.78 -0.14 -1.26 0.39 119.74 119.85 2jov s LYS 51 Ca 0.00 -1.91 -0.30 0.00 -1.36 0.00 0.00 55.97 52.40 2jov s LYS 51 Cb 0.00 -0.87 -0.12 0.00 -1.68 0.00 0.00 37.83 35.16 2jov s LYS 51 CO 0.00 -0.18 1.54 -1.13 -0.76 0.00 0.00 175.35 174.82 2jov n SER 52 N -0.68 3.67 0.00 2.83 3.41 -1.23 -2.76 113.62 118.86 2jov n SER 52 Ca -0.02 1.17 0.00 0.00 -0.26 0.00 0.00 58.87 59.75 2jov n SER 52 Cb 0.67 -1.58 0.00 0.00 -0.26 0.00 0.00 64.21 63.04 2jov n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2jov n GLY 53 N 1.75 0.82 3.75 5.00 0.00 0.17 -4.96 105.19 111.72 2jov n GLY 53 Ca 0.07 -0.56 -0.36 0.00 0.00 0.00 0.00 46.02 45.17 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 -2.54 6.40 -0.51 1.61 2.20 -1.01 -4.91 114.94 116.17 2jov s ASN 54 Ca 0.00 0.46 -0.27 0.00 -0.94 0.00 0.00 52.86 52.11 2jov s ASN 54 Cb 0.00 -2.15 0.03 0.00 -2.00 0.00 0.00 41.25 37.13 2jov s ASN 54 CO 0.00 0.15 1.05 -0.69 -2.94 0.00 0.00 177.10 174.67 2jov s VAL 55 N 0.25 4.28 -0.11 3.54 1.01 -1.26 0.00 120.40 128.11 2jov s VAL 55 Ca 0.15 0.83 -0.07 0.00 0.00 0.00 0.00 61.98 62.89 2jov s VAL 55 Cb -0.13 -4.57 -0.06 0.00 0.00 0.00 0.00 36.38 31.62 2jov s VAL 55 CO 0.03 -1.05 0.18 0.58 0.00 0.00 0.00 175.10 174.84 2jov h VAL 56 N 6.13 0.43 -3.51 2.92 2.07 -1.04 -3.43 116.25 119.83 2jov h VAL 56 Ca -0.24 -1.33 -0.68 0.00 0.82 0.00 0.00 66.70 65.27 2jov h VAL 56 Cb 1.07 0.82 -0.37 0.00 -1.52 0.00 0.00 31.29 31.29 2jov h VAL 56 CO 1.10 0.15 -0.52 0.00 0.02 0.00 0.00 177.57 178.32 2jov s LYS 58 N 0.33 3.92 -0.32 0.00 -2.85 -1.26 -0.05 119.74 119.51 2jov s LYS 58 Ca 0.14 0.97 -0.11 0.00 -1.00 0.00 0.00 55.97 55.96 2jov s LYS 58 Cb -0.22 -3.82 0.01 0.00 -2.06 0.00 0.00 37.83 31.74 2jov s LYS 58 CO -0.03 -1.10 0.44 -1.71 0.10 0.00 0.00 175.35 173.05 2jov n ASN 59 N 7.37 -6.40 -4.67 0.03 5.15 -0.56 -4.94 115.26 111.24 2jov n ASN 59 Ca 0.13 0.39 -0.42 0.00 -0.60 0.00 0.00 54.58 54.07 2jov n ASN 59 Cb 0.48 -4.25 -0.03 0.00 -0.53 0.00 0.00 39.78 35.45 2jov n ASN 59 CO 0.00 0.00 0.00 -0.51 1.40 0.00 0.00 177.26 178.15 2jov s ILE 60 N -2.21 3.91 0.00 -1.44 2.07 -0.84 -4.45 121.20 118.23 2jov s ILE 60 Ca 0.18 1.19 0.00 0.00 -1.41 0.00 0.00 60.65 60.61 2jov s ILE 60 Cb -0.05 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.77 2jov s ILE 60 CO 0.57 -0.06 0.00 0.80 -1.91 0.00 0.00 174.94 174.34 2jov n MET 61 N 6.14 0.00 -2.66 3.50 0.00 -1.26 -3.43 117.12 119.40 2jov n MET 61 Ca 0.14 0.00 -0.02 0.00 0.00 0.00 0.00 57.70 57.82 2jov n MET 61 Cb 0.44 0.00 0.03 0.00 0.00 0.00 0.00 33.22 33.69 2jov n MET 61 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 175.97 177.18 2jov s ASN 62 N -2.53 -0.08 0.00 6.12 3.84 -1.26 -5.06 114.94 115.96 2jov s ASN 62 Ca 0.00 -0.08 0.00 0.00 0.21 0.00 0.00 52.86 52.99 2jov s ASN 62 Cb 0.00 0.11 0.00 0.00 -0.55 0.00 0.00 41.25 40.81 2jov s ASN 62 CO 0.00 -0.00 0.00 0.35 -2.79 0.00 0.00 177.10 174.66 2jov n THR 63 N 2.81 0.00 -0.16 -5.21 -2.24 -1.22 -5.02 114.28 103.24 2jov n THR 63 Ca 0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.87 2jov n THR 63 Cb 0.66 -0.18 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 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 1.23 0.85 3.75 3.38 0.00 -1.26 -5.05 105.19 108.09 2jov n GLY 64 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.07 5.37 -0.33 1.61 1.01 -1.26 -4.81 120.40 119.93 2jov s VAL 65 Ca 0.00 0.34 -0.15 0.00 0.00 0.00 0.00 61.98 62.16 2jov s VAL 65 Cb 0.00 -3.52 -0.02 0.00 0.00 0.00 0.00 36.38 32.84 2jov s VAL 65 CO 0.00 0.45 0.38 -1.81 0.00 0.00 0.00 175.10 174.13 2jov s ASP 66 N 0.17 6.21 -0.72 3.32 1.01 -1.26 -1.49 116.67 123.91 2jov s ASP 66 Ca 0.12 -0.10 -0.26 0.00 0.71 0.00 0.00 52.55 53.02 2jov s ASP 66 Cb -0.12 -2.21 0.04 0.00 1.01 0.00 0.00 42.92 41.64 2jov s ASP 66 CO 0.01 -0.33 1.21 -0.63 0.21 0.00 0.00 175.17 175.64 2jov s ILE 67 N 2.08 3.86 0.04 0.77 -1.09 0.93 -2.79 121.20 125.00 2jov s ILE 67 Ca 0.13 0.26 -0.07 0.00 -2.23 0.00 0.00 60.65 58.74 2jov s ILE 67 Cb -0.16 -4.86 -0.05 0.00 -1.58 0.00 0.00 42.46 35.81 2jov s ILE 67 CO 0.12 -1.75 0.30 0.27 -1.23 0.00 0.00 174.94 172.64 2jov s ILE 68 N 5.35 5.25 -0.07 2.92 -4.36 -0.42 -0.36 121.20 129.51 2jov s ILE 68 Ca 0.32 0.18 -0.05 0.00 -0.26 0.00 0.00 60.65 60.85 2jov s ILE 68 Cb -0.10 -3.59 -0.04 0.00 1.25 0.00 0.00 42.46 39.98 2jov s ILE 68 CO 0.14 0.31 0.15 0.00 0.24 0.00 0.00 174.94 175.78 2jov n THR 70 N 1.53 0.72 -3.70 0.00 5.66 -1.24 -0.65 114.28 116.59 2jov n THR 70 Ca -0.16 -0.86 -0.36 0.00 -3.05 0.00 0.00 64.05 59.62 2jov n THR 70 Cb 0.54 0.67 -0.06 0.00 -1.55 0.00 0.00 70.33 69.93 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 3.65 -0.40 1.09 2.47 -1.26 -4.38 119.74 120.07 2jov s LYS 71 Ca 0.09 0.06 -0.19 0.00 -1.56 0.00 0.00 55.97 54.38 2jov s LYS 71 Cb 0.05 -3.14 0.01 0.00 -1.46 0.00 0.00 37.83 33.30 2jov s LYS 71 CO 0.07 0.69 0.54 -0.80 0.16 0.00 0.00 175.35 176.00 2jov s ASN 72 N -1.37 6.28 -0.28 1.43 0.02 -1.26 -3.50 114.94 116.26 2jov s ASN 72 Ca 0.24 -0.33 -0.11 0.00 -1.02 0.00 0.00 52.86 51.64 2jov s ASN 72 Cb -0.14 -2.27 -0.05 0.00 0.02 0.00 0.00 41.25 38.81 2jov s ASN 72 CO 0.12 -0.61 0.18 -0.76 0.02 0.00 0.00 177.10 176.05 2jov s LEU 73 N 2.47 4.01 0.50 0.60 1.02 0.16 -4.98 118.68 122.46 2jov s LEU 73 Ca 0.18 -0.01 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 2jov s LEU 73 Cb -0.15 -2.11 -0.04 0.00 0.02 0.00 0.00 46.19 43.90 2jov s LEU 73 CO 0.15 -0.04 0.85 -2.16 0.02 0.00 0.00 176.35 175.17 2jov s PRO 74 N 1.70 3.61 -0.19 1.29 0.05 -1.26 -3.88 135.00 136.32 2jov s PRO 74 Ca 0.07 0.40 -0.17 0.00 0.05 0.00 0.00 61.00 61.35 2jov s PRO 74 Cb -0.16 -2.30 -0.07 0.00 0.05 0.00 0.00 34.50 32.02 2jov s PRO 74 CO 0.10 -0.26 -0.35 1.63 0.05 0.00 0.00 177.00 178.17 2jov n LYS 75 N -2.19 0.54 -3.25 4.56 5.02 -1.26 -3.82 118.16 117.76 2jov n LYS 75 Ca 0.02 0.22 -0.09 0.00 -2.02 0.00 0.00 58.31 56.44 2jov n LYS 75 Cb 0.55 -1.44 -0.00 0.00 -0.02 0.00 0.00 35.03 34.12 2jov n LYS 75 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2jov n ASP 76 N -4.43 -1.37 0.17 4.39 8.00 -1.26 -4.70 116.55 117.34 2jov n ASP 76 Ca -0.20 -2.33 0.04 0.00 0.71 0.00 0.00 54.79 53.01 2jov n ASP 76 Cb 0.57 2.39 0.28 0.00 -0.02 0.00 0.00 41.12 44.34 2jov n ASP 76 CO 0.00 0.00 0.00 -1.28 -0.39 0.00 0.00 177.20 175.53 2jov h SER 77 N 1.50 0.00 -3.84 -2.24 0.87 -2.02 -3.44 113.55 104.37 2jov h SER 77 Ca -0.23 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.00 2jov h SER 77 Cb 0.92 0.00 -0.29 0.00 -0.44 0.00 0.00 62.40 62.59 2jov h SER 77 CO 0.30 0.45 -0.75 -0.22 -0.53 0.00 0.00 176.83 176.07 2jov s LEU 78 N -7.17 1.91 0.00 2.23 2.96 -1.26 -5.01 118.68 112.34 2jov s LEU 78 Ca -0.00 -0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.82 2jov s LEU 78 Cb 0.11 -0.26 0.00 0.00 0.50 0.00 0.00 46.19 46.54 2jov s LEU 78 CO 0.71 0.04 0.60 -1.84 -1.32 0.00 0.00 176.35 174.54 2jov n GLU 79 N 3.10 0.33 -3.60 1.98 -0.00 -1.26 -5.06 120.64 116.13 2jov n GLU 79 Ca -0.15 -0.75 -0.37 0.00 -0.00 0.00 0.00 57.16 55.89 2jov n GLU 79 Cb 0.57 -0.93 -0.06 0.00 -0.00 0.00 0.00 31.44 31.02 2jov n GLU 79 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.13 176.12 2jov s HIS 80 N -0.30 3.68 -0.06 -1.84 3.76 -1.26 -5.08 115.29 114.19 2jov s HIS 80 Ca 0.00 0.86 0.03 0.00 -0.15 0.00 0.00 55.06 55.80 2jov s HIS 80 Cb 0.00 -2.19 0.01 0.00 1.11 0.00 0.00 32.58 31.50 2jov s HIS 80 CO 0.00 0.65 -0.16 -1.01 -0.85 0.00 0.00 174.74 173.37 2jov s HIS 81 N -1.12 1.74 0.17 1.40 3.76 -1.26 -5.04 115.29 114.94 2jov s HIS 81 Ca 0.23 -0.62 -0.11 0.00 -0.15 0.00 0.00 55.06 54.41 2jov s HIS 81 Cb -0.15 -1.21 0.06 0.00 1.11 0.00 0.00 32.58 32.38 2jov s HIS 81 CO 0.12 -0.27 1.66 0.45 -0.85 0.00 0.00 174.74 175.85 2jov h HIS 82 N 6.69 1.00 -3.47 1.40 3.86 -2.06 -3.35 115.15 119.23 2jov h HIS 82 Ca -0.29 -0.14 -0.70 0.00 -1.16 0.00 0.00 60.37 58.08 2jov h HIS 82 Cb 1.19 -0.28 -0.34 0.00 1.06 0.00 0.00 27.41 29.05 2jov h HIS 82 CO 0.47 0.88 -0.49 -1.58 0.86 0.00 0.00 177.93 178.07 2jov s HIS 83 N -5.21 3.54 0.58 2.45 5.65 -1.26 -5.09 115.29 115.96 2jov s HIS 83 Ca -0.12 -2.38 -0.13 0.00 0.25 0.00 0.00 55.06 52.68 2jov s HIS 83 Cb 0.13 -3.27 -0.05 0.00 -1.18 0.00 0.00 32.58 28.20 2jov s HIS 83 CO 0.82 -0.96 1.02 -3.38 -0.65 0.00 0.00 174.74 171.59 2jov s HIS 84 N 0.98 3.47 0.00 3.88 -0.00 -1.26 -5.25 115.29 117.11 2jov s HIS 84 Ca 0.09 1.38 0.00 0.00 -0.00 0.00 0.00 55.06 56.54 2jov s HIS 84 Cb -0.23 -2.78 0.00 0.00 -0.00 0.00 0.00 32.58 29.57 2jov s HIS 84 CO -0.04 -0.64 0.00 1.58 -0.00 0.00 0.00 174.74 175.64