#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 0.00 -4.43 2.03 8.25 -1.26 -4.41 115.22 115.40 2jov n HIS 2 Ca 0.00 0.00 -0.34 0.00 -0.26 0.00 0.00 57.72 57.12 2jov n HIS 2 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 2jov n HIS 2 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2jov s LYS 3 N 0.00 2.90 0.21 -0.41 1.02 -1.26 -4.79 119.74 117.41 2jov s LYS 3 Ca 0.00 -0.47 0.10 0.00 0.02 0.00 0.00 55.97 55.63 2jov s LYS 3 Cb 0.00 -2.73 -0.05 0.00 -0.52 0.00 0.00 37.83 34.54 2jov s LYS 3 CO 0.00 0.69 -0.20 0.34 -0.92 0.00 0.00 175.35 175.26 2jov s ASP 4 N -0.94 3.11 -0.68 2.83 -1.08 0.12 -4.72 116.67 115.31 2jov s ASP 4 Ca 0.14 -0.94 -0.26 0.00 -0.52 0.00 0.00 52.55 50.97 2jov s ASP 4 Cb -0.11 -0.22 0.04 0.00 -1.46 0.00 0.00 42.92 41.17 2jov s ASP 4 CO 0.03 0.00 1.15 -0.63 0.52 0.00 0.00 175.17 176.24 2jov s ILE 5 N -2.24 3.99 -0.33 4.11 -1.09 -1.26 0.01 121.20 124.38 2jov s ILE 5 Ca 0.22 0.27 -0.28 0.00 -2.23 0.00 0.00 60.65 58.63 2jov s ILE 5 Cb -0.05 -4.79 -0.07 0.00 -1.58 0.00 0.00 42.46 35.97 2jov s ILE 5 CO 0.10 -1.61 2.30 0.33 -1.23 0.00 0.00 174.94 174.83 2jov n PHE 6 N 8.62 1.73 -4.93 3.97 7.35 -1.26 -4.76 117.46 128.18 2jov n PHE 6 Ca 0.02 -0.01 -0.30 0.00 -0.76 0.00 0.00 57.45 56.40 2jov n PHE 6 Cb 0.48 -2.68 -0.17 0.00 0.35 0.00 0.00 39.48 37.46 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 9.54 1.82 0.00 -2.13 2.01 -1.26 -1.86 115.64 123.76 2jov s THR 7 Ca 1.02 -0.87 0.00 0.00 0.31 0.00 0.00 61.69 62.15 2jov s THR 7 Cb -0.35 -1.60 0.00 0.00 0.01 0.00 0.00 72.50 70.57 2jov s THR 7 CO 0.34 0.51 0.00 -1.20 -0.69 0.00 0.00 174.62 173.57 2jov n SER 8 N 3.74 0.00 -4.25 3.53 7.64 0.20 -4.98 113.62 119.50 2jov n SER 8 Ca -0.20 -0.90 -0.30 0.00 1.01 0.00 0.00 58.87 58.49 2jov n SER 8 Cb 0.52 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.56 2jov n SER 8 CO 0.00 0.00 0.00 0.68 -3.01 0.00 0.00 175.04 172.71 2jov s VAL 9 N -2.42 1.87 0.14 0.44 -7.23 -1.26 0.19 120.40 112.12 2jov s VAL 9 Ca 0.00 -0.99 0.07 0.00 -1.81 0.00 0.00 61.98 59.25 2jov s VAL 9 Cb 0.00 -1.57 -0.04 0.00 0.56 0.00 0.00 36.38 35.33 2jov s VAL 9 CO 0.00 0.53 -0.05 0.54 -0.31 0.00 0.00 175.10 175.81 2jov s VAL 10 N -0.32 3.55 -0.42 1.32 0.11 0.02 -4.93 120.40 119.73 2jov s VAL 10 Ca 0.02 -1.35 -0.22 0.00 -2.93 0.00 0.00 61.98 57.51 2jov s VAL 10 Cb -0.11 -2.73 0.02 0.00 -1.53 0.00 0.00 36.38 32.03 2jov s VAL 10 CO 0.01 0.00 0.73 -0.13 -3.33 0.00 0.00 175.10 172.38 2jov s ARG 11 N -2.57 3.45 -0.09 1.54 0.52 -1.26 -1.89 118.95 118.65 2jov s ARG 11 Ca 0.25 -0.10 -0.09 0.00 -0.52 0.00 0.00 55.73 55.27 2jov s ARG 11 Cb -0.10 -3.91 -0.04 0.00 0.52 0.00 0.00 34.95 31.42 2jov s ARG 11 CO 0.16 -1.01 0.21 0.08 0.02 0.00 0.00 175.30 174.76 2jov s VAL 12 N 3.08 5.39 0.33 3.52 1.01 0.13 -4.40 120.40 129.45 2jov s VAL 12 Ca 0.28 0.37 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 2jov s VAL 12 Cb -0.13 -3.48 -0.10 0.00 0.00 0.00 0.00 36.38 32.67 2jov s VAL 12 CO 0.20 0.61 0.95 -0.13 0.00 0.00 0.00 175.10 176.73 2jov s ARG 13 N -1.04 4.57 -0.77 2.72 0.52 0.70 -4.51 118.95 121.13 2jov s ARG 13 Ca 0.17 1.34 -0.25 0.00 -0.52 0.00 0.00 55.73 56.47 2jov s ARG 13 Cb -0.13 -2.80 -0.03 0.00 0.52 0.00 0.00 34.95 32.51 2jov s ARG 13 CO 0.06 0.26 1.86 0.20 0.02 0.00 0.00 175.30 177.71 2jov s GLY 14 N -1.60 0.26 -0.03 -3.53 0.00 -1.26 -4.48 107.32 96.67 2jov s GLY 14 Ca 0.50 -1.14 0.07 0.00 0.00 0.00 0.00 44.72 44.15 2jov s GLY 14 CO 0.24 3.39 1.11 -1.14 0.00 0.00 0.00 173.10 176.70 2jov n SER 15 N 13.03 2.39 -0.89 1.64 3.41 -1.26 -5.05 113.62 126.89 2jov n SER 15 Ca 0.29 -2.25 0.00 0.00 -0.26 0.00 0.00 58.87 56.65 2jov n SER 15 Cb 0.50 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.29 2jov n SER 15 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 2jov n LYS 16 N -0.43 0.00 0.04 4.33 0.00 -1.26 -4.75 118.16 116.08 2jov n LYS 16 Ca 0.07 0.00 -0.22 0.00 -0.00 0.00 0.00 58.31 58.15 2jov n LYS 16 Cb 0.40 0.00 -0.14 0.00 -0.00 0.00 0.00 35.03 35.28 2jov n LYS 16 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2jov h LYS 17 N 0.00 0.32 -6.02 -1.58 2.10 -1.98 -3.43 116.57 105.98 2jov h LYS 17 Ca 0.00 -0.55 -0.58 0.00 -2.00 0.00 0.00 60.65 57.52 2jov h LYS 17 Cb 0.00 0.21 -0.10 0.00 -0.90 0.00 0.00 32.23 31.43 2jov h LYS 17 CO 0.00 1.26 1.02 0.71 -2.00 0.00 0.00 179.45 180.44 2jov s TYR 18 N -2.54 2.47 -1.88 0.07 2.02 -1.26 -4.82 117.35 111.41 2jov s TYR 18 Ca -0.18 -0.41 0.21 0.00 -0.37 0.00 0.00 57.07 56.32 2jov s TYR 18 Cb 0.05 -4.55 0.63 0.00 -0.40 0.00 0.00 41.96 37.69 2jov s TYR 18 CO 0.81 -1.92 1.52 0.09 -1.57 0.00 0.00 175.55 174.48 2jov n ASN 19 N 8.73 3.85 -3.69 2.29 3.02 -1.26 -4.76 115.26 123.43 2jov n ASN 19 Ca 0.09 -2.06 -0.18 0.00 -0.03 0.00 0.00 54.58 52.40 2jov n ASN 19 Cb 0.49 -0.48 -0.17 0.00 -0.61 0.00 0.00 39.78 39.01 2jov n ASN 19 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2jov s VAL 20 N -1.18 -0.15 -0.01 2.41 -7.23 -1.26 0.22 120.40 113.20 2jov s VAL 20 Ca 0.47 0.35 0.04 0.00 -1.81 0.00 0.00 61.98 61.02 2jov s VAL 20 Cb 0.25 -0.20 -0.01 0.00 0.56 0.00 0.00 36.38 36.99 2jov s VAL 20 CO 0.30 0.15 -0.12 0.54 -0.31 0.00 0.00 175.10 175.66 2jov s VAL 21 N 1.95 0.93 -0.02 1.32 0.11 -0.79 -4.95 120.40 118.94 2jov s VAL 21 Ca 0.01 -0.50 -0.30 0.00 -2.93 0.00 0.00 61.98 58.26 2jov s VAL 21 Cb -0.12 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.90 2jov s VAL 21 CO -0.04 0.26 1.38 -2.16 -3.33 0.00 0.00 175.10 171.21 2jov s PRO 22 N -0.25 4.28 0.19 1.54 0.04 -1.26 -0.80 135.00 138.74 2jov s PRO 22 Ca 0.04 1.92 0.09 0.00 0.04 0.00 0.00 61.00 63.09 2jov s PRO 22 Cb -0.05 -3.62 -0.04 0.00 0.04 0.00 0.00 34.50 30.83 2jov s PRO 22 CO -0.00 -0.59 -0.12 0.14 0.04 0.00 0.00 177.00 176.47 2jov s VAL 23 N 2.58 3.04 0.34 -0.36 -7.23 0.13 -3.29 120.40 115.60 2jov s VAL 23 Ca 0.63 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 2jov s VAL 23 Cb -0.30 -2.51 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 2jov s VAL 23 CO 0.25 -0.12 0.38 -1.59 -0.31 0.00 0.00 175.10 173.70 2jov s LYS 24 N -2.83 1.84 -0.17 4.82 -2.85 0.60 -0.62 119.74 120.52 2jov s LYS 24 Ca 0.24 -1.90 -0.04 0.00 -1.00 0.00 0.00 55.97 53.28 2jov s LYS 24 Cb -0.08 0.38 -0.03 0.00 -2.06 0.00 0.00 37.83 36.04 2jov s LYS 24 CO 0.14 -0.72 -0.02 -1.54 0.10 0.00 0.00 175.35 173.31 2jov s SER 25 N -3.31 4.80 0.55 0.03 1.04 -0.78 -0.78 113.70 115.25 2jov s SER 25 Ca 0.36 -0.16 0.29 0.00 0.48 0.00 0.00 55.95 56.92 2jov s SER 25 Cb 0.01 -1.80 1.58 0.00 0.10 0.00 0.00 66.02 65.91 2jov s SER 25 CO 0.24 0.12 2.12 -0.55 0.98 0.00 0.00 173.24 176.16 2jov h ASN 26 N 7.04 0.00 -4.37 7.02 -1.07 -1.89 -3.42 115.58 118.89 2jov h ASN 26 Ca -0.33 0.00 -0.63 0.00 0.07 0.00 0.00 56.30 55.41 2jov h ASN 26 Cb 1.18 0.00 -0.28 0.00 -2.07 0.00 0.00 38.32 37.16 2jov h ASN 26 CO 0.62 0.08 -0.86 -0.54 0.07 0.00 0.00 177.43 176.80 2jov s LYS 27 N -4.24 1.67 0.13 4.14 1.02 -1.26 -5.03 119.74 116.16 2jov s LYS 27 Ca -0.03 -0.93 -0.31 0.00 0.02 0.00 0.00 55.97 54.72 2jov s LYS 27 Cb 0.13 -1.73 -0.09 0.00 -0.52 0.00 0.00 37.83 35.62 2jov s LYS 27 CO 0.56 0.46 1.58 -1.25 -0.92 0.00 0.00 175.35 175.79 2jov s PRO 28 N -0.92 4.22 0.11 -1.68 0.04 -1.26 -4.75 135.00 130.75 2jov s PRO 28 Ca 0.09 2.33 0.07 0.00 0.04 0.00 0.00 61.00 63.53 2jov s PRO 28 Cb -0.09 -3.31 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 2jov s PRO 28 CO 0.01 -0.64 -0.08 0.14 0.04 0.00 0.00 177.00 176.47 2jov s VAL 29 N 1.66 3.51 -0.05 -0.36 -7.23 0.10 -4.68 120.40 113.34 2jov s VAL 29 Ca 0.71 -1.23 -0.30 0.00 -1.81 0.00 0.00 61.98 59.35 2jov s VAL 29 Cb -0.42 -2.66 -0.05 0.00 0.56 0.00 0.00 36.38 33.81 2jov s VAL 29 CO 0.31 0.10 1.59 -1.61 -0.31 0.00 0.00 175.10 175.18 2jov s GLU 30 N -2.28 4.20 -1.17 4.82 2.02 -1.26 -0.70 118.70 124.33 2jov s GLU 30 Ca 0.23 2.12 -0.21 0.00 0.02 0.00 0.00 54.97 57.13 2jov s GLU 30 Cb -0.11 -3.90 0.04 0.00 0.10 0.00 0.00 34.13 30.26 2jov s GLU 30 CO 0.15 -0.80 1.68 -1.50 0.02 0.00 0.00 175.26 174.81 2jov s ILE 31 N 3.75 3.94 0.00 -1.63 2.07 -1.26 -4.09 121.20 123.98 2jov s ILE 31 Ca 0.70 -1.31 0.00 0.00 -1.41 0.00 0.00 60.65 58.63 2jov s ILE 31 Cb -0.32 -5.00 0.00 0.00 0.13 0.00 0.00 42.46 37.27 2jov s ILE 31 CO 0.28 -1.81 0.00 -1.20 -1.91 0.00 0.00 174.94 170.29 2jov n SER 32 N 9.59 0.02 -1.49 4.50 7.64 -1.26 -4.87 113.62 127.75 2jov n SER 32 Ca 0.43 -0.05 0.08 0.00 1.01 0.00 0.00 58.87 60.34 2jov n SER 32 Cb 0.48 0.10 0.34 0.00 -1.01 0.00 0.00 64.21 64.12 2jov n SER 32 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 2jov n LYS 33 N -0.10 3.97 0.26 1.43 5.02 -1.26 -4.46 118.16 123.03 2jov n LYS 33 Ca 0.00 -2.94 0.11 0.00 -2.02 0.00 0.00 58.31 53.45 2jov n LYS 33 Cb 0.00 -2.00 0.70 0.00 -0.02 0.00 0.00 35.03 33.71 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 3.40 0.00 -0.04 2.13 5.08 -1.91 0.31 115.95 124.91 2jov h TRP 34 Ca 0.00 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 59.92 2jov h TRP 34 Cb 1.62 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.78 2jov h TRP 34 CO 0.81 0.10 -0.15 0.82 -1.28 0.00 0.00 178.44 178.73 2jov h ILE 35 N 0.00 1.47 -0.47 0.12 2.04 -2.00 -2.69 117.51 115.98 2jov h ILE 35 Ca -0.00 -1.61 -0.13 0.00 1.00 0.00 0.00 64.86 64.11 2jov h ILE 35 Cb 0.23 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 38.72 2jov h ILE 35 CO 0.01 0.44 -0.23 0.44 0.00 0.00 0.00 178.15 178.82 2jov h ASP 36 N -0.39 1.01 -0.12 1.72 5.19 -1.66 0.01 116.42 122.18 2jov h ASP 36 Ca -0.01 -0.39 -0.01 0.00 -0.62 0.00 0.00 57.03 56.00 2jov h ASP 36 Cb 0.80 -0.28 -0.00 0.00 0.18 0.00 0.00 39.33 40.03 2jov h ASP 36 CO 0.03 1.18 0.03 -0.26 -3.12 0.00 0.00 179.24 177.11 2jov h PHE 37 N 0.84 0.19 -0.05 4.55 0.04 -0.52 -0.94 116.94 121.05 2jov h PHE 37 Ca 0.11 -0.02 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 2jov h PHE 37 Cb 0.81 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 38.89 2jov h PHE 37 CO 0.05 0.33 -0.30 0.66 -0.60 0.00 0.00 178.31 178.45 2jov h SER 38 N 0.00 0.08 -0.19 2.17 4.64 -1.45 0.91 113.55 119.71 2jov h SER 38 Ca 0.04 -0.02 0.03 0.00 -0.47 0.00 0.00 61.79 61.37 2jov h SER 38 Cb 0.23 -0.02 -0.03 0.00 -0.31 0.00 0.00 62.40 62.27 2jov h SER 38 CO -0.00 0.38 -0.02 -1.13 -0.87 0.00 0.00 176.83 175.19 2jov h ASN 39 N 0.07 -0.11 -0.14 4.97 -0.73 -0.55 -0.15 115.58 118.94 2jov h ASN 39 Ca 0.01 0.05 -0.17 0.00 1.87 0.00 0.00 56.30 58.06 2jov h ASN 39 Cb 0.57 0.09 -0.00 0.00 0.27 0.00 0.00 38.32 39.25 2jov h ASN 39 CO 0.04 -0.03 -0.52 0.58 -0.37 0.00 0.00 177.43 177.13 2jov h VAL 40 N 0.04 1.30 0.00 2.57 2.07 -0.69 -2.93 116.25 118.60 2jov h VAL 40 Ca 0.09 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.87 2jov h VAL 40 Cb 0.12 1.66 -0.00 0.00 -1.52 0.00 0.00 31.29 31.55 2jov h VAL 40 CO -0.17 0.55 -0.05 -0.07 0.02 0.00 0.00 177.57 177.85 2jov h LEU 41 N 0.56 0.00 0.00 2.57 3.38 -0.46 -0.38 115.31 120.98 2jov h LEU 41 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2jov h LEU 41 Cb 1.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.85 2jov h LEU 41 CO 0.11 0.05 0.00 -1.20 0.09 0.00 0.00 178.44 177.49 2jov n SER 42 N -3.80 0.00 -0.34 -0.43 7.64 -0.10 -2.49 113.62 114.10 2jov n SER 42 Ca -0.03 -1.28 0.00 0.00 1.01 0.00 0.00 58.87 58.58 2jov n SER 42 Cb 0.15 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.35 2jov n SER 42 CO 0.00 0.00 0.00 -2.11 -3.01 0.00 0.00 175.04 169.92 2jov n ARG 43 N -0.79 0.00 -2.84 1.43 1.85 -0.23 -4.92 116.66 111.17 2jov n ARG 43 Ca 0.12 -0.77 -0.30 0.00 -1.00 0.00 0.00 57.85 55.90 2jov n ARG 43 Cb 0.06 -0.46 -0.02 0.00 -1.05 0.00 0.00 32.46 30.98 2jov n ARG 43 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2jov n LEU 44 N 0.00 5.22 -4.51 2.89 7.94 -0.73 -4.99 117.00 122.81 2jov n LEU 44 Ca 0.00 -5.59 -0.42 0.00 -1.11 0.00 0.00 56.01 48.89 2jov n LEU 44 Cb 0.62 -0.70 -0.03 0.00 0.53 0.00 0.00 43.42 43.84 2jov n LEU 44 CO 0.00 2.27 1.22 -0.31 -1.11 0.00 0.00 177.39 179.46 2jov s TYR 45 N -3.69 2.71 0.16 1.96 1.51 -1.26 -4.87 117.35 113.86 2jov s TYR 45 Ca 0.47 -0.90 -0.10 0.00 -1.01 0.00 0.00 57.07 55.52 2jov s TYR 45 Cb 0.27 -4.52 -0.07 0.00 -0.11 0.00 0.00 41.96 37.53 2jov s TYR 45 CO -0.14 -1.78 0.49 0.54 -1.11 0.00 0.00 175.55 173.54 2jov s VAL 46 N 4.24 4.99 -0.36 0.71 0.11 -1.26 -4.76 120.40 124.06 2jov s VAL 46 Ca 0.38 0.48 0.13 0.00 -2.93 0.00 0.00 61.98 60.05 2jov s VAL 46 Cb -0.04 -3.65 0.45 0.00 -1.53 0.00 0.00 36.38 31.61 2jov s VAL 46 CO -0.05 0.10 1.02 0.61 -3.33 0.00 0.00 175.10 173.45 2jov n GLY 47 N 0.35 3.34 2.98 6.54 0.00 -1.26 -0.22 105.19 116.92 2jov n GLY 47 Ca -0.03 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 43.88 2jov n GLY 47 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2jov s VAL 48 N -4.09 0.97 0.20 1.61 -7.23 -1.26 -4.54 120.40 106.05 2jov s VAL 48 Ca 0.36 -0.37 -0.30 0.00 -1.81 0.00 0.00 61.98 59.85 2jov s VAL 48 Cb 0.43 -0.92 -0.09 0.00 0.56 0.00 0.00 36.38 36.36 2jov s VAL 48 CO -0.05 0.32 1.40 -2.84 -0.31 0.00 0.00 175.10 173.63 2jov s PRO 49 N 0.82 4.31 0.40 4.82 0.02 -1.26 -5.03 135.00 139.09 2jov s PRO 49 Ca -0.12 2.18 0.05 0.00 0.02 0.00 0.00 61.00 63.13 2jov s PRO 49 Cb -0.15 -3.17 -0.02 0.00 0.02 0.00 0.00 34.50 31.18 2jov s PRO 49 CO 0.02 -0.39 0.19 0.95 -0.33 0.00 0.00 177.00 177.44 2jov s THR 50 N 0.38 0.34 0.40 0.99 -4.23 -1.26 -4.89 115.64 107.37 2jov s THR 50 Ca 0.61 -2.00 0.07 0.00 -1.18 0.00 0.00 61.69 59.19 2jov s THR 50 Cb -0.39 -2.35 -0.07 0.00 1.34 0.00 0.00 72.50 71.03 2jov s THR 50 CO 0.38 0.00 0.03 -0.54 -0.54 0.00 0.00 174.62 173.95 2jov s LYS 51 N -3.58 2.00 0.18 3.99 1.02 -1.26 0.32 119.74 122.41 2jov s LYS 51 Ca 0.28 -2.05 -0.32 0.00 0.02 0.00 0.00 55.97 53.90 2jov s LYS 51 Cb 0.02 -1.71 -0.12 0.00 -0.52 0.00 0.00 37.83 35.50 2jov s LYS 51 CO 0.19 -0.04 1.75 0.45 -0.92 0.00 0.00 175.35 176.78 2jov n SER 52 N -1.00 3.96 0.00 2.83 2.88 -1.25 -2.89 113.62 118.15 2jov n SER 52 Ca -0.04 1.04 0.00 0.00 -1.33 0.00 0.00 58.87 58.54 2jov n SER 52 Cb 0.66 -1.56 0.00 0.00 -0.75 0.00 0.00 64.21 62.56 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 4.01 1.34 3.82 0.46 0.00 0.84 -4.95 105.19 110.72 2jov n GLY 53 Ca 0.17 -0.24 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.25 6.57 -0.24 1.61 2.20 -0.96 -4.90 114.94 116.96 2jov s ASN 54 Ca 0.00 0.67 -0.29 0.00 -0.94 0.00 0.00 52.86 52.30 2jov s ASN 54 Cb 0.00 -2.17 0.00 0.00 -2.00 0.00 0.00 41.25 37.08 2jov s ASN 54 CO 0.00 0.30 1.17 -0.69 -2.94 0.00 0.00 177.10 174.94 2jov s VAL 55 N -0.68 4.40 -0.14 3.54 1.01 -1.26 -0.59 120.40 126.68 2jov s VAL 55 Ca 0.19 1.65 -0.10 0.00 0.00 0.00 0.00 61.98 63.72 2jov s VAL 55 Cb -0.14 -4.20 -0.06 0.00 0.00 0.00 0.00 36.38 31.97 2jov s VAL 55 CO 0.08 -0.30 -0.01 0.58 0.00 0.00 0.00 175.10 175.45 2jov h VAL 56 N 5.64 0.26 -3.42 2.92 2.07 -0.74 -3.46 116.25 119.52 2jov h VAL 56 Ca -0.23 -1.27 -0.56 0.00 0.82 0.00 0.00 66.70 65.45 2jov h VAL 56 Cb 1.08 0.57 -0.39 0.00 -1.52 0.00 0.00 31.29 31.03 2jov h VAL 56 CO 1.00 0.09 -0.77 0.00 0.02 0.00 0.00 177.57 177.91 2jov s LYS 58 N 1.64 4.18 -1.23 0.00 2.36 -1.26 -1.82 119.74 123.61 2jov s LYS 58 Ca -0.02 1.00 -0.01 0.00 -2.55 0.00 0.00 55.97 54.39 2jov s LYS 58 Cb -0.18 -3.65 -0.00 0.00 -1.05 0.00 0.00 37.83 32.95 2jov s LYS 58 CO -0.08 -0.55 0.87 0.09 1.55 0.00 0.00 175.35 177.23 2jov n ASN 59 N 6.08 -2.06 -0.17 1.43 4.13 -0.83 -4.90 115.26 118.95 2jov n ASN 59 Ca 0.07 -0.71 -0.03 0.00 1.68 0.00 0.00 54.58 55.59 2jov n ASN 59 Cb 0.47 -4.69 0.04 0.00 -1.54 0.00 0.00 39.78 34.06 2jov n ASN 59 CO 0.00 0.00 0.00 -0.29 0.28 0.00 0.00 177.26 177.25 2jov h ILE 60 N -1.83 0.44 -0.95 2.41 2.10 -1.69 -2.98 117.51 115.00 2jov h ILE 60 Ca -0.60 0.00 -0.44 0.00 1.08 0.00 0.00 64.86 64.90 2jov h ILE 60 Cb 1.35 0.44 -0.41 0.00 -1.09 0.00 0.00 36.82 37.10 2jov h ILE 60 CO 0.52 0.00 -0.97 0.23 -1.08 0.00 0.00 178.15 176.85 2jov n MET 61 N -5.39 2.45 -2.37 2.19 2.81 -1.26 -4.93 117.12 110.62 2jov n MET 61 Ca 0.05 -3.86 -0.21 0.00 -1.81 0.00 0.00 57.70 51.87 2jov n MET 61 Cb 0.29 -1.83 -0.01 0.00 -0.71 0.00 0.00 33.22 30.96 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 -0.44 -5.93 0.15 7.83 4.13 -1.13 -4.86 115.26 115.00 2jov n ASN 62 Ca 0.24 0.00 0.12 0.00 1.68 0.00 0.00 54.58 56.62 2jov n ASN 62 Cb 0.81 -4.95 0.06 0.00 -1.54 0.00 0.00 39.78 34.16 2jov n ASN 62 CO 0.00 0.00 0.00 0.71 0.28 0.00 0.00 177.26 178.25 2jov h THR 63 N 0.00 0.01 0.00 3.41 1.35 -1.92 -3.47 112.91 112.29 2jov h THR 63 Ca -0.50 -1.01 0.00 0.00 -0.55 0.00 0.00 66.41 64.35 2jov h THR 63 Cb 1.37 1.69 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2jov h THR 63 CO 0.59 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.47 2jov n GLY 64 N 1.15 0.52 3.74 5.82 0.00 -1.26 -5.02 105.19 110.14 2jov n GLY 64 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.16 4.73 -0.46 1.61 1.01 -1.26 -4.91 120.40 118.96 2jov s VAL 65 Ca 0.00 -0.08 -0.17 0.00 0.00 0.00 0.00 61.98 61.73 2jov s VAL 65 Cb 0.00 -3.03 0.05 0.00 0.00 0.00 0.00 36.38 33.40 2jov s VAL 65 CO 0.00 0.59 0.47 -1.81 0.00 0.00 0.00 175.10 174.35 2jov s ASP 66 N -0.77 6.18 -0.45 3.32 1.11 -1.26 -1.96 116.67 122.83 2jov s ASP 66 Ca 0.12 -1.00 -0.28 0.00 0.18 0.00 0.00 52.55 51.58 2jov s ASP 66 Cb -0.12 -2.22 -0.00 0.00 1.07 0.00 0.00 42.92 41.65 2jov s ASP 66 CO 0.03 -0.69 1.62 -0.63 1.18 0.00 0.00 175.17 176.68 2jov s ILE 67 N 2.07 3.64 0.03 0.77 -1.09 -0.76 -2.87 121.20 122.99 2jov s ILE 67 Ca 0.10 0.60 0.06 0.00 -2.23 0.00 0.00 60.65 59.17 2jov s ILE 67 Cb -0.20 -4.03 -0.03 0.00 -1.58 0.00 0.00 42.46 36.62 2jov s ILE 67 CO 0.10 -0.76 -0.15 0.27 -1.23 0.00 0.00 174.94 173.17 2jov s ILE 68 N 6.69 3.03 0.10 2.92 -4.36 0.04 0.04 121.20 129.66 2jov s ILE 68 Ca 0.66 -1.07 -0.17 0.00 -0.26 0.00 0.00 60.65 59.81 2jov s ILE 68 Cb -0.16 -2.29 -0.07 0.00 1.25 0.00 0.00 42.46 41.20 2jov s ILE 68 CO 0.29 0.35 0.56 0.00 0.24 0.00 0.00 174.94 176.39 2jov n THR 70 N 1.35 0.67 -3.97 0.00 5.66 -1.21 -0.11 114.28 116.67 2jov n THR 70 Ca -0.08 -0.83 -0.32 0.00 -3.05 0.00 0.00 64.05 59.76 2jov n THR 70 Cb 0.51 0.67 -0.05 0.00 -1.55 0.00 0.00 70.33 69.90 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 -0.67 3.28 -0.40 1.09 2.20 -1.26 -4.38 119.74 119.59 2jov s LYS 71 Ca 0.00 -0.44 -0.16 0.00 -0.36 0.00 0.00 55.97 55.01 2jov s LYS 71 Cb 0.00 -2.98 0.02 0.00 -1.51 0.00 0.00 37.83 33.36 2jov s LYS 71 CO 0.00 0.64 0.37 -0.80 -0.36 0.00 0.00 175.35 175.20 2jov s ASN 72 N -2.11 6.16 -0.33 1.43 0.02 -1.26 -3.91 114.94 114.95 2jov s ASN 72 Ca 0.29 -0.69 -0.23 0.00 -1.02 0.00 0.00 52.86 51.21 2jov s ASN 72 Cb -0.13 -2.20 0.00 0.00 0.02 0.00 0.00 41.25 38.95 2jov s ASN 72 CO 0.21 -0.49 0.76 -0.76 0.02 0.00 0.00 177.10 176.84 2jov s LEU 73 N 1.95 4.11 0.43 0.60 1.02 0.15 -4.97 118.68 121.98 2jov s LEU 73 Ca 0.09 0.51 -0.22 0.00 0.02 0.00 0.00 54.13 54.53 2jov s LEU 73 Cb -0.18 -3.02 -0.10 0.00 0.02 0.00 0.00 46.19 42.92 2jov s LEU 73 CO 0.12 -0.64 1.00 -2.84 0.02 0.00 0.00 176.35 174.01 2jov s PRO 74 N 2.96 4.12 0.07 1.29 0.02 -1.26 -4.17 135.00 138.02 2jov s PRO 74 Ca 0.31 1.31 -0.07 0.00 0.02 0.00 0.00 61.00 62.57 2jov s PRO 74 Cb -0.14 -2.30 -0.01 0.00 0.02 0.00 0.00 34.50 32.07 2jov s PRO 74 CO 0.14 -0.15 0.14 0.21 -0.33 0.00 0.00 177.00 177.01 2jov s LYS 75 N -2.91 0.74 0.31 5.54 2.20 -1.26 -4.44 119.74 119.92 2jov s LYS 75 Ca 0.61 -0.91 0.00 0.00 -0.36 0.00 0.00 55.97 55.32 2jov s LYS 75 Cb -0.15 0.29 0.00 0.00 -1.51 0.00 0.00 37.83 36.46 2jov s LYS 75 CO 0.20 -0.21 0.00 -3.47 -0.36 0.00 0.00 175.35 171.51 2jov n ASP 76 N 0.23 -0.32 -0.89 1.43 -0.08 -1.26 -4.61 116.55 111.05 2jov n ASP 76 Ca -0.16 0.05 0.08 0.00 -1.51 0.00 0.00 54.79 53.24 2jov n ASP 76 Cb 0.61 -0.13 0.25 0.00 2.34 0.00 0.00 41.12 44.19 2jov n ASP 76 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 2jov n SER 77 N -0.56 3.80 -4.75 1.67 7.64 -1.26 -4.99 113.62 115.17 2jov n SER 77 Ca 0.00 -2.84 -0.41 0.00 1.01 0.00 0.00 58.87 56.63 2jov n SER 77 Cb 0.02 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 62.69 2jov n SER 77 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 2jov s LEU 78 N -2.52 4.43 0.42 -3.43 2.96 -1.26 -4.98 118.68 114.30 2jov s LEU 78 Ca 0.40 2.48 -0.24 0.00 -0.22 0.00 0.00 54.13 56.54 2jov s LEU 78 Cb 0.31 -3.62 -0.08 0.00 0.50 0.00 0.00 46.19 43.29 2jov s LEU 78 CO 0.10 -0.50 1.16 -1.83 -1.32 0.00 0.00 176.35 173.96 2jov s GLU 79 N -0.68 3.96 -0.31 1.98 -1.05 -1.26 -5.03 118.70 116.30 2jov s GLU 79 Ca 0.54 1.78 0.01 0.00 -0.15 0.00 0.00 54.97 57.15 2jov s GLU 79 Cb -0.37 -2.56 0.14 0.00 -0.44 0.00 0.00 34.13 30.90 2jov s GLU 79 CO 0.42 -0.39 0.33 -3.38 0.95 0.00 0.00 175.26 173.20 2jov s HIS 80 N -1.49 -0.45 -0.19 4.83 -3.43 -1.26 -5.12 115.29 108.18 2jov s HIS 80 Ca 0.59 -0.33 0.01 0.00 -0.80 0.00 0.00 55.06 54.53 2jov s HIS 80 Cb -0.29 -0.42 0.03 0.00 -1.43 0.00 0.00 32.58 30.47 2jov s HIS 80 CO 0.36 -0.94 -0.13 -1.58 -2.00 0.00 0.00 174.74 170.45 2jov s HIS 81 N 2.09 2.50 -0.61 0.38 5.04 -1.26 -5.08 115.29 118.35 2jov s HIS 81 Ca 0.12 -1.57 -0.28 0.00 -1.54 0.00 0.00 55.06 51.79 2jov s HIS 81 Cb -0.14 -1.71 0.03 0.00 0.04 0.00 0.00 32.58 30.80 2jov s HIS 81 CO -0.24 -0.75 1.19 -1.01 -2.34 0.00 0.00 174.74 171.59 2jov s HIS 82 N 1.37 2.56 -0.09 3.88 3.76 -1.26 -4.96 115.29 120.55 2jov s HIS 82 Ca 0.01 0.29 -0.04 0.00 -0.15 0.00 0.00 55.06 55.17 2jov s HIS 82 Cb -0.15 -4.51 0.05 0.00 1.11 0.00 0.00 32.58 29.08 2jov s HIS 82 CO -0.09 -1.67 0.18 -1.58 -0.85 0.00 0.00 174.74 170.73 2jov s HIS 83 N 5.03 -0.23 -0.40 1.40 5.04 -1.26 -5.11 115.29 119.77 2jov s HIS 83 Ca 0.40 0.68 -0.28 0.00 -1.54 0.00 0.00 55.06 54.32 2jov s HIS 83 Cb -0.08 -0.19 -0.02 0.00 0.04 0.00 0.00 32.58 32.32 2jov s HIS 83 CO 0.23 -0.28 1.84 -1.01 -2.34 0.00 0.00 174.74 173.19 2jov s HIS 84 N 2.20 1.74 -0.63 3.88 3.76 -1.26 -5.31 115.29 119.66 2jov s HIS 84 Ca 0.01 0.71 0.05 0.00 -0.15 0.00 0.00 55.06 55.68 2jov s HIS 84 Cb -0.12 -4.09 0.04 0.00 1.11 0.00 0.00 32.58 29.52 2jov s HIS 84 CO -0.06 -2.79 0.66 -2.39 -0.85 0.00 0.00 174.74 169.30