#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ezm n GLY 2 N 0.00 2.55 2.31 -0.72 0.00 -1.26 -4.94 105.19 103.13 3ezm n GLY 2 Ca 0.00 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.62 3ezm n GLY 2 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3ezm n LYS 3 N 13.17 -0.84 -0.26 1.61 5.02 -1.26 -4.93 118.16 130.67 3ezm n LYS 3 Ca 0.00 0.82 0.10 0.00 -2.02 0.00 0.00 58.31 57.22 3ezm n LYS 3 Cb 0.00 -4.86 0.36 0.00 -0.02 0.00 0.00 35.03 30.51 3ezm n LYS 3 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 3ezm h PHE 4 N 0.00 0.83 -0.37 2.13 -0.00 -2.00 -2.61 116.94 114.92 3ezm h PHE 4 Ca -0.25 0.02 0.11 0.00 -0.00 0.00 0.00 57.97 57.85 3ezm h PHE 4 Cb 0.87 -0.27 -0.01 0.00 -0.00 0.00 0.00 35.95 36.54 3ezm h PHE 4 CO 0.32 0.34 0.31 0.66 -0.00 0.00 0.00 178.31 179.95 3ezm h SER 5 N 0.73 0.00 0.43 -0.68 4.64 -1.91 -2.07 113.55 114.69 3ezm h SER 5 Ca 0.42 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.71 3ezm h SER 5 Cb 0.60 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.69 3ezm h SER 5 CO -0.18 0.00 -0.16 1.56 -0.87 0.00 0.00 176.83 177.18 3ezm h GLN 6 N 0.00 0.00 0.00 4.77 1.08 -1.88 -3.21 115.11 115.87 3ezm h GLN 6 Ca 0.17 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.34 3ezm h GLN 6 Cb 0.80 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 28.16 3ezm h GLN 6 CO -0.00 0.16 -0.46 0.25 -0.95 0.00 0.00 178.83 177.83 3ezm n THR 7 N -3.68 1.37 -4.28 -0.54 -2.24 -0.79 -5.05 114.28 99.07 3ezm n THR 7 Ca -0.02 -2.06 -0.15 0.00 -2.27 0.00 0.00 64.05 59.56 3ezm n THR 7 Cb 0.28 0.10 -0.10 0.00 -2.10 0.00 0.00 70.33 68.51 3ezm n THR 7 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ezm s TYR 9 N -3.70 0.25 -1.44 0.00 1.13 0.27 -4.89 117.35 108.98 3ezm s TYR 9 Ca 0.30 -0.62 -0.08 0.00 -1.41 0.00 0.00 57.07 55.26 3ezm s TYR 9 Cb 0.07 0.26 0.01 0.00 -1.10 0.00 0.00 41.96 41.20 3ezm s TYR 9 CO 0.08 -1.01 0.98 0.09 -2.51 0.00 0.00 175.55 173.18 3ezm n ASN 10 N -0.38 -6.23 -4.80 -0.18 3.02 -1.26 -1.57 115.26 103.85 3ezm n ASN 10 Ca -0.03 -0.46 -0.34 0.00 -0.03 0.00 0.00 54.58 53.71 3ezm n ASN 10 Cb 0.62 -4.95 -0.05 0.00 -0.61 0.00 0.00 39.78 34.79 3ezm n ASN 10 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3ezm s SER 11 N -3.10 6.60 0.01 6.41 0.01 -1.26 -4.42 113.70 117.95 3ezm s SER 11 Ca 0.50 1.88 -0.24 0.00 1.31 0.00 0.00 55.95 59.40 3ezm s SER 11 Cb -0.22 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.50 3ezm s SER 11 CO 0.61 -0.60 0.55 0.00 0.41 0.00 0.00 173.24 174.21 3ezm s ALA 12 N -1.96 -1.42 -0.10 1.44 0.00 -0.06 -4.99 121.76 114.67 3ezm s ALA 12 Ca 0.64 0.79 0.04 0.00 0.00 0.00 0.00 51.96 53.43 3ezm s ALA 12 Cb -0.16 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.21 3ezm s ALA 12 CO 0.20 -0.45 -0.23 0.42 0.00 0.00 0.00 175.76 175.70 3ezm s ILE 13 N -1.98 2.02 -0.15 0.00 -1.09 -1.26 -1.10 121.20 117.64 3ezm s ILE 13 Ca -0.08 -0.99 -0.02 0.00 -2.23 0.00 0.00 60.65 57.33 3ezm s ILE 13 Cb -0.01 -1.75 0.05 0.00 -1.58 0.00 0.00 42.46 39.17 3ezm s ILE 13 CO 0.02 0.55 0.03 -1.58 -1.23 0.00 0.00 174.94 172.73 3ezm s GLN 14 N 0.38 0.62 7.80 2.79 2.00 -0.47 -5.00 119.66 127.78 3ezm s GLN 14 Ca -0.18 -0.23 0.00 0.00 -2.00 0.00 0.00 55.36 52.95 3ezm s GLN 14 Cb -0.18 -1.72 0.00 0.00 0.80 0.00 0.00 33.01 31.91 3ezm s GLN 14 CO 0.08 -0.53 0.00 0.41 -0.50 0.00 0.00 175.29 174.76 3ezm n GLY 15 N 5.09 3.60 0.72 2.59 0.00 -1.26 -1.21 105.19 114.73 3ezm n GLY 15 Ca -0.08 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.04 3ezm n GLY 15 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ezm n SER 16 N 9.25 2.63 -4.70 1.61 3.41 -1.26 -4.98 113.62 119.59 3ezm n SER 16 Ca 0.00 -1.77 -0.36 0.00 -0.26 0.00 0.00 58.87 56.48 3ezm n SER 16 Cb 0.00 -0.10 -0.09 0.00 -0.26 0.00 0.00 64.21 63.76 3ezm n SER 16 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3ezm s VAL 17 N -1.24 5.38 -0.19 -3.33 1.01 -0.35 -0.65 120.40 121.03 3ezm s VAL 17 Ca 0.23 0.22 -0.09 0.00 0.00 0.00 0.00 61.98 62.34 3ezm s VAL 17 Cb 0.15 -3.50 -0.05 0.00 0.00 0.00 0.00 36.38 32.98 3ezm s VAL 17 CO 0.21 0.39 0.12 -0.22 0.00 0.00 0.00 175.10 175.60 3ezm s LEU 18 N 0.70 4.16 -0.01 3.92 2.96 -0.38 -1.37 118.68 128.65 3ezm s LEU 18 Ca 0.09 0.23 0.06 0.00 -0.22 0.00 0.00 54.13 54.28 3ezm s LEU 18 Cb -0.12 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.48 3ezm s LEU 18 CO 0.01 0.20 -0.19 -0.89 -1.32 0.00 0.00 176.35 174.17 3ezm s THR 19 N 0.24 1.47 0.10 3.68 2.01 -0.26 -0.84 115.64 122.03 3ezm s THR 19 Ca 0.08 -0.82 -0.22 0.00 0.31 0.00 0.00 61.69 61.04 3ezm s THR 19 Cb -0.11 -1.23 0.06 0.00 0.01 0.00 0.00 72.50 71.23 3ezm s THR 19 CO -0.01 0.39 0.53 -0.55 -0.69 0.00 0.00 174.62 174.29 3ezm s SER 20 N -0.50 -0.45 -0.29 3.53 0.15 -0.69 -0.88 113.70 114.57 3ezm s SER 20 Ca 0.07 0.04 -0.08 0.00 0.70 0.00 0.00 55.95 56.68 3ezm s SER 20 Cb -0.07 0.53 -0.00 0.00 -1.71 0.00 0.00 66.02 64.76 3ezm s SER 20 CO -0.01 -0.83 0.10 -0.89 1.20 0.00 0.00 173.24 172.81 3ezm s THR 21 N -3.12 4.22 0.15 6.45 2.01 -0.61 -1.72 115.64 123.01 3ezm s THR 21 Ca -0.02 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.58 3ezm s THR 21 Cb -0.00 -3.12 -0.04 0.00 0.01 0.00 0.00 72.50 69.34 3ezm s THR 21 CO -0.07 0.13 -0.23 0.00 -0.69 0.00 0.00 174.62 173.76 3ezm s GLU 23 N -2.30 4.52 0.41 0.00 2.02 -0.37 -1.30 118.70 121.68 3ezm s GLU 23 Ca 0.18 1.88 0.00 0.00 0.02 0.00 0.00 54.97 57.04 3ezm s GLU 23 Cb -0.09 -3.22 -0.02 0.00 0.10 0.00 0.00 34.13 30.90 3ezm s GLU 23 CO 0.09 -0.02 0.63 1.03 0.02 0.00 0.00 175.26 177.01 3ezm s ARG 24 N -0.62 3.27 0.08 1.61 0.52 -0.38 -4.93 118.95 118.50 3ezm s ARG 24 Ca 0.50 -0.38 -0.27 0.00 -0.52 0.00 0.00 55.73 55.07 3ezm s ARG 24 Cb -0.33 -2.59 -0.16 0.00 0.52 0.00 0.00 34.95 32.39 3ezm s ARG 24 CO 0.39 -0.10 1.70 1.15 0.02 0.00 0.00 175.30 178.45 3ezm h THR 25 N 0.53 0.75 0.00 0.02 2.02 -1.96 -2.31 112.91 111.95 3ezm h THR 25 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3ezm h THR 25 Cb 1.24 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 68.39 3ezm h THR 25 CO 0.59 0.00 0.00 -3.20 0.37 0.00 0.00 175.52 173.28 3ezm n ASN 26 N -5.24 0.07 0.00 4.18 5.15 -1.26 -4.95 115.26 113.21 3ezm n ASN 26 Ca -0.09 -1.30 0.00 0.00 -0.60 0.00 0.00 54.58 52.59 3ezm n ASN 26 Cb 0.16 -0.03 0.00 0.00 -0.53 0.00 0.00 39.78 39.37 3ezm n ASN 26 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ezm n GLY 27 N 0.15 0.04 0.00 8.20 0.00 -0.87 -5.10 105.19 107.61 3ezm n GLY 27 Ca 0.00 -1.79 0.00 0.00 0.00 0.00 0.00 46.02 44.23 3ezm n GLY 27 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ezm n GLY 28 N 0.21 -0.82 3.29 -0.02 0.00 -1.26 -4.33 105.19 102.26 3ezm n GLY 28 Ca 0.00 -1.69 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 3ezm n GLY 28 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3ezm s TYR 29 N -1.39 1.41 -0.09 1.61 1.51 -1.26 -1.25 117.35 117.90 3ezm s TYR 29 Ca 0.00 -1.04 -0.08 0.00 -1.01 0.00 0.00 57.07 54.94 3ezm s TYR 29 Cb 0.00 -0.82 0.03 0.00 -0.11 0.00 0.00 41.96 41.06 3ezm s TYR 29 CO 0.00 -0.20 0.24 1.21 -1.11 0.00 0.00 175.55 175.68 3ezm s ASN 30 N -3.25 -0.25 -0.15 2.29 2.47 -0.42 -4.90 114.94 110.72 3ezm s ASN 30 Ca 0.30 0.48 -0.07 0.00 0.42 0.00 0.00 52.86 53.99 3ezm s ASN 30 Cb 0.07 0.47 -0.04 0.00 -1.45 0.00 0.00 41.25 40.29 3ezm s ASN 30 CO 0.08 -0.09 0.08 -0.89 -3.72 0.00 0.00 177.10 172.56 3ezm s THR 31 N 0.28 4.95 0.20 -5.21 2.01 -1.26 -0.55 115.64 116.06 3ezm s THR 31 Ca -0.01 0.01 -0.08 0.00 0.31 0.00 0.00 61.69 61.92 3ezm s THR 31 Cb -0.03 -3.19 -0.02 0.00 0.01 0.00 0.00 72.50 69.27 3ezm s THR 31 CO -0.01 0.52 0.29 -0.94 -0.69 0.00 0.00 174.62 173.79 3ezm s SER 32 N -0.15 0.04 0.14 3.53 1.04 -0.70 -5.00 113.70 112.60 3ezm s SER 32 Ca 0.08 -1.04 0.04 0.00 0.48 0.00 0.00 55.95 55.51 3ezm s SER 32 Cb -0.12 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.42 3ezm s SER 32 CO 0.01 -0.95 -0.10 -0.44 0.98 0.00 0.00 173.24 172.74 3ezm s SER 33 N -3.04 1.70 -0.12 7.02 0.01 -1.26 -1.70 113.70 116.31 3ezm s SER 33 Ca 0.25 -1.00 -0.06 0.00 1.31 0.00 0.00 55.95 56.45 3ezm s SER 33 Cb 0.03 0.00 0.05 0.00 0.21 0.00 0.00 66.02 66.31 3ezm s SER 33 CO 0.06 -0.34 0.28 -0.51 0.41 0.00 0.00 173.24 173.14 3ezm s ILE 34 N -3.31 -0.06 -0.39 1.44 2.07 -0.02 -4.98 121.20 115.95 3ezm s ILE 34 Ca 0.15 0.14 -0.24 0.00 -1.41 0.00 0.00 60.65 59.30 3ezm s ILE 34 Cb 0.03 -0.43 0.02 0.00 0.13 0.00 0.00 42.46 42.20 3ezm s ILE 34 CO -0.00 0.06 0.82 -0.62 -1.91 0.00 0.00 174.94 173.29 3ezm s ASP 35 N 1.35 6.53 0.00 4.50 -1.08 -1.26 -1.26 116.67 125.45 3ezm s ASP 35 Ca -0.09 0.26 0.29 0.00 -0.52 0.00 0.00 52.55 52.49 3ezm s ASP 35 Cb -0.10 -2.41 1.40 0.00 -1.46 0.00 0.00 42.92 40.35 3ezm s ASP 35 CO -0.09 -0.83 1.97 0.18 0.52 0.00 0.00 175.17 176.92 3ezm n LEU 36 N 6.62 0.00 -0.16 -1.34 4.77 0.17 -3.99 117.00 123.08 3ezm n LEU 36 Ca 0.04 0.32 0.14 0.00 -0.03 0.00 0.00 56.01 56.48 3ezm n LEU 36 Cb 0.48 -0.32 0.48 0.00 -2.33 0.00 0.00 43.42 41.74 3ezm n LEU 36 CO 0.57 -0.02 1.21 0.78 -1.33 0.00 0.00 177.39 178.60 3ezm h ASN 37 N 0.00 0.42 0.13 -1.43 2.35 -1.85 -1.37 115.58 113.84 3ezm h ASN 37 Ca 0.00 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.77 3ezm h ASN 37 Cb 0.30 -0.07 0.00 0.00 0.05 0.00 0.00 38.32 38.61 3ezm h ASN 37 CO 0.00 0.23 -0.13 -1.54 -1.65 0.00 0.00 177.43 174.34 3ezm n SER 38 N -4.48 1.16 0.00 5.81 3.41 -1.26 -4.19 113.62 114.07 3ezm n SER 38 Ca 0.14 -1.13 0.00 0.00 -0.26 0.00 0.00 58.87 57.62 3ezm n SER 38 Cb 0.48 0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.49 3ezm n SER 38 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3ezm n VAL 39 N -0.33 0.00 -4.78 -3.33 0.24 -0.75 -4.90 118.33 104.48 3ezm n VAL 39 Ca 0.16 -0.44 -0.25 0.00 -2.04 0.00 0.00 64.34 61.77 3ezm n VAL 39 Cb 0.34 1.01 -0.15 0.00 -1.47 0.00 0.00 33.84 33.57 3ezm n VAL 39 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ezm s ILE 40 N -0.79 1.50 0.05 1.34 1.01 -0.59 0.57 121.20 124.28 3ezm s ILE 40 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.72 3ezm s ILE 40 Cb 0.00 -1.27 -0.03 0.00 0.01 0.00 0.00 42.46 41.17 3ezm s ILE 40 CO 0.00 0.32 -0.05 -1.83 0.00 0.00 0.00 174.94 173.38 3ezm s GLU 41 N -0.71 0.59 -0.41 2.79 -1.05 0.15 -4.74 118.70 115.31 3ezm s GLU 41 Ca 0.07 -1.05 -0.19 0.00 -0.15 0.00 0.00 54.97 53.65 3ezm s GLU 41 Cb -0.08 0.01 0.02 0.00 -0.44 0.00 0.00 34.13 33.64 3ezm s GLU 41 CO 0.00 -0.05 0.54 1.21 0.95 0.00 0.00 175.26 177.91 3ezm s ASN 42 N -2.45 6.27 -0.41 0.83 2.47 -1.26 -0.47 114.94 119.92 3ezm s ASN 42 Ca 0.01 -0.40 -0.05 0.00 0.42 0.00 0.00 52.86 52.84 3ezm s ASN 42 Cb 0.01 -2.27 0.10 0.00 -1.45 0.00 0.00 41.25 37.64 3ezm s ASN 42 CO -0.05 -0.64 0.23 -0.69 -3.72 0.00 0.00 177.10 172.23 3ezm s VAL 43 N 2.47 3.61 -1.48 -5.21 1.01 -0.04 -4.69 120.40 116.06 3ezm s VAL 43 Ca 0.18 -1.84 -0.09 0.00 0.00 0.00 0.00 61.98 60.23 3ezm s VAL 43 Cb -0.15 -3.37 0.06 0.00 0.00 0.00 0.00 36.38 32.91 3ezm s VAL 43 CO 0.16 -0.63 0.80 -0.67 0.00 0.00 0.00 175.10 174.76 3ezm n ASP 44 N 4.71 -2.98 0.00 3.32 2.03 -1.26 -1.89 116.55 120.49 3ezm n ASP 44 Ca -0.06 -0.86 0.00 0.00 0.52 0.00 0.00 54.79 54.40 3ezm n ASP 44 Cb 0.42 -3.65 0.00 0.00 -0.72 0.00 0.00 41.12 37.16 3ezm n ASP 44 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ezm n GLY 45 N -1.67 0.93 3.28 0.27 0.00 -1.26 -5.05 105.19 101.69 3ezm n GLY 45 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.60 3ezm n GLY 45 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3ezm s SER 46 N -3.00 3.40 -0.02 1.61 0.15 -0.79 -5.10 113.70 109.96 3ezm s SER 46 Ca 0.00 -0.47 -0.30 0.00 0.70 0.00 0.00 55.95 55.87 3ezm s SER 46 Cb 0.00 -1.43 -0.04 0.00 -1.71 0.00 0.00 66.02 62.84 3ezm s SER 46 CO 0.00 0.17 1.20 -0.76 1.20 0.00 0.00 173.24 175.05 3ezm s LEU 47 N 0.29 4.31 0.12 3.45 1.43 -1.26 -0.86 118.68 126.16 3ezm s LEU 47 Ca -0.15 1.87 0.05 0.00 -1.03 0.00 0.00 54.13 54.88 3ezm s LEU 47 Cb -0.17 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3ezm s LEU 47 CO 0.07 -0.55 -0.13 -0.54 0.23 0.00 0.00 176.35 175.43 3ezm s LYS 48 N 1.90 1.00 0.18 1.70 -0.14 0.38 -4.96 119.74 119.81 3ezm s LYS 48 Ca 0.57 -1.25 -0.30 0.00 -1.36 0.00 0.00 55.97 53.63 3ezm s LYS 48 Cb -0.26 -0.81 -0.08 0.00 -1.68 0.00 0.00 37.83 35.00 3ezm s LYS 48 CO 0.24 0.15 1.14 -1.58 -0.76 0.00 0.00 175.35 174.54 3ezm s TRP 49 N -2.33 3.52 -0.02 3.18 0.52 -1.26 -0.67 118.94 121.88 3ezm s TRP 49 Ca 0.09 1.53 -0.23 0.00 0.02 0.00 0.00 56.10 57.52 3ezm s TRP 49 Cb -0.04 -3.34 -0.05 0.00 -1.15 0.00 0.00 33.47 28.90 3ezm s TRP 49 CO 0.02 -0.84 0.68 -1.14 0.02 0.00 0.00 176.95 175.68 3ezm s GLN 50 N -0.35 4.41 0.30 4.98 0.74 0.19 -4.83 119.66 125.11 3ezm s GLN 50 Ca 0.51 0.87 -0.29 0.00 0.05 0.00 0.00 55.36 56.49 3ezm s GLN 50 Cb -0.31 -3.39 -0.10 0.00 1.10 0.00 0.00 33.01 30.31 3ezm s GLN 50 CO 0.36 0.23 1.39 -1.25 -0.55 0.00 0.00 175.29 175.47 3ezm s PRO 51 N 0.23 4.28 0.00 1.67 0.04 -1.26 -4.87 135.00 135.10 3ezm s PRO 51 Ca 0.35 2.30 0.30 0.00 0.04 0.00 0.00 61.00 63.99 3ezm s PRO 51 Cb -0.19 -3.08 1.56 0.00 0.04 0.00 0.00 34.50 32.83 3ezm s PRO 51 CO 0.19 -0.34 2.05 -1.13 0.04 0.00 0.00 177.00 177.81 3ezm n SER 52 N 1.47 0.22 -3.69 6.66 3.41 -1.26 -4.92 113.62 115.50 3ezm n SER 52 Ca 0.03 -0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 57.98 3ezm n SER 52 Cb 0.41 -0.11 -0.01 0.00 -0.26 0.00 0.00 64.21 64.24 3ezm n SER 52 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 3ezm s ASN 53 N -2.31 -0.13 0.00 4.04 2.20 -1.26 -5.03 114.94 112.46 3ezm s ASN 53 Ca 0.36 -0.36 0.00 0.00 -0.94 0.00 0.00 52.86 51.92 3ezm s ASN 53 Cb 0.21 0.41 0.00 0.00 -2.00 0.00 0.00 41.25 39.86 3ezm s ASN 53 CO 0.42 -0.76 0.00 2.22 -2.94 0.00 0.00 177.10 176.05 3ezm n PHE 54 N -0.50 0.00 0.70 1.54 1.16 -1.26 -4.70 117.46 114.39 3ezm n PHE 54 Ca -0.06 0.00 0.10 0.00 -1.87 0.00 0.00 57.45 55.62 3ezm n PHE 54 Cb 0.61 0.00 0.45 0.00 -1.61 0.00 0.00 39.48 38.93 3ezm n PHE 54 CO 0.00 0.00 0.00 0.44 -1.87 0.00 0.00 176.76 175.33 3ezm n ILE 55 N -0.64 0.57 0.08 1.97 -5.35 -1.26 -1.20 119.36 113.53 3ezm n ILE 55 Ca 0.00 0.12 -0.03 0.00 -0.27 0.00 0.00 62.75 62.57 3ezm n ILE 55 Cb 0.00 -0.79 -0.06 0.00 -1.74 0.00 0.00 39.64 37.05 3ezm n ILE 55 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 3ezm h GLU 56 N 0.00 0.00 -0.04 6.28 4.57 -2.01 -3.35 114.58 120.04 3ezm h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3ezm h GLU 56 Cb 0.39 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.98 3ezm h GLU 56 CO 0.00 0.74 0.00 0.25 -1.18 0.00 0.00 179.01 178.82 3ezm n THR 57 N -3.26 0.28 -4.26 0.32 -2.24 -1.10 -5.01 114.28 99.01 3ezm n THR 57 Ca -0.01 -0.64 -0.21 0.00 -2.27 0.00 0.00 64.05 60.92 3ezm n THR 57 Cb 0.86 0.92 -0.12 0.00 -2.10 0.00 0.00 70.33 69.89 3ezm n THR 57 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3ezm s ARG 59 N -2.17 1.37 -1.30 0.00 1.70 0.42 -4.63 118.95 114.34 3ezm s ARG 59 Ca 0.07 -1.74 -0.06 0.00 -0.47 0.00 0.00 55.73 53.53 3ezm s ARG 59 Cb -0.08 -0.03 -0.00 0.00 -0.57 0.00 0.00 34.95 34.26 3ezm s ARG 59 CO 0.04 -0.36 0.61 -1.71 -1.08 0.00 0.00 175.30 172.79 3ezm n ASN 60 N -0.49 -1.97 -4.75 -2.89 5.15 -1.26 -1.64 115.26 107.41 3ezm n ASN 60 Ca 0.01 -0.95 -0.41 0.00 -0.60 0.00 0.00 54.58 52.63 3ezm n ASN 60 Cb 0.66 -3.47 -0.04 0.00 -0.53 0.00 0.00 39.78 36.40 3ezm n ASN 60 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3ezm s THR 61 N -3.74 3.46 0.04 -0.44 -4.23 -1.26 -4.30 115.64 105.18 3ezm s THR 61 Ca 0.13 1.39 -0.12 0.00 -1.18 0.00 0.00 61.69 61.91 3ezm s THR 61 Cb -0.05 -3.88 0.01 0.00 1.34 0.00 0.00 72.50 69.92 3ezm s THR 61 CO 0.86 0.30 0.25 -1.10 -0.54 0.00 0.00 174.62 174.39 3ezm s GLN 62 N -1.07 0.76 -0.37 3.99 -0.21 0.46 -4.98 119.66 118.23 3ezm s GLN 62 Ca 0.47 -0.57 -0.19 0.00 0.02 0.00 0.00 55.36 55.10 3ezm s GLN 62 Cb -0.33 0.32 0.00 0.00 1.00 0.00 0.00 33.01 34.01 3ezm s GLN 62 CO 0.41 -0.23 0.54 -1.17 -2.12 0.00 0.00 175.29 172.71 3ezm s LEU 63 N -2.08 4.40 -0.28 2.90 2.96 -1.26 -0.50 118.68 124.82 3ezm s LEU 63 Ca -0.05 -0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 53.63 3ezm s LEU 63 Cb -0.01 -2.61 -0.04 0.00 0.50 0.00 0.00 46.19 44.03 3ezm s LEU 63 CO -0.04 -0.54 0.25 0.00 -1.32 0.00 0.00 176.35 174.70 3ezm s ALA 64 N 2.46 3.54 0.00 5.97 0.00 0.21 -4.92 121.76 129.01 3ezm s ALA 64 Ca 0.19 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.13 3ezm s ALA 64 Cb -0.15 -2.56 0.00 0.00 0.00 0.00 0.00 23.12 20.41 3ezm s ALA 64 CO 0.14 -0.61 0.00 0.41 0.00 0.00 0.00 175.76 175.71 3ezm n GLY 65 N 4.96 1.10 0.00 0.00 0.00 -1.26 -1.91 105.19 108.07 3ezm n GLY 65 Ca -0.12 -0.77 0.09 0.00 0.00 0.00 0.00 46.02 45.22 3ezm n GLY 65 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3ezm n SER 66 N 3.12 0.82 0.00 1.61 3.41 -1.26 -4.75 113.62 116.57 3ezm n SER 66 Ca 0.00 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.85 3ezm n SER 66 Cb 0.00 1.18 0.00 0.00 -0.26 0.00 0.00 64.21 65.13 3ezm n SER 66 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3ezm n SER 67 N -1.60 0.00 -4.70 4.04 3.41 -1.25 -5.04 113.62 108.48 3ezm n SER 67 Ca 0.02 -1.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.25 3ezm n SER 67 Cb 0.34 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.23 3ezm n SER 67 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 3ezm s GLU 68 N 0.00 4.26 -0.27 4.33 2.56 -0.80 -0.20 118.70 128.57 3ezm s GLU 68 Ca 0.00 0.33 -0.15 0.00 0.00 0.00 0.00 54.97 55.15 3ezm s GLU 68 Cb 0.00 -3.48 -0.04 0.00 2.00 0.00 0.00 34.13 32.61 3ezm s GLU 68 CO 0.00 0.06 0.37 -1.17 -0.56 0.00 0.00 175.26 173.97 3ezm s LEU 69 N 0.97 4.04 0.10 2.70 2.96 0.05 0.65 118.68 130.14 3ezm s LEU 69 Ca 0.22 0.29 0.08 0.00 -0.22 0.00 0.00 54.13 54.51 3ezm s LEU 69 Cb -0.15 -2.43 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 3ezm s LEU 69 CO 0.09 -0.19 -0.17 0.00 -1.32 0.00 0.00 176.35 174.76 3ezm s ALA 70 N 2.07 2.70 0.13 5.97 0.00 0.34 -1.13 121.76 131.84 3ezm s ALA 70 Ca 0.15 -1.30 -0.26 0.00 0.00 0.00 0.00 51.96 50.56 3ezm s ALA 70 Cb -0.16 -0.71 0.07 0.00 0.00 0.00 0.00 23.12 22.33 3ezm s ALA 70 CO 0.10 0.60 1.02 0.00 0.00 0.00 0.00 175.76 177.48 3ezm s ALA 71 N -1.10 -1.76 -0.26 0.00 0.00 -0.70 -0.40 121.76 117.54 3ezm s ALA 71 Ca 0.18 0.19 -0.04 0.00 0.00 0.00 0.00 51.96 52.29 3ezm s ALA 71 Cb -0.11 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.62 3ezm s ALA 71 CO 0.09 -1.05 0.01 -1.21 0.00 0.00 0.00 175.76 173.60 3ezm s GLU 72 N -3.07 3.09 0.10 0.00 2.02 -0.65 -1.49 118.70 118.70 3ezm s GLU 72 Ca 0.13 -0.83 0.10 0.00 0.02 0.00 0.00 54.97 54.39 3ezm s GLU 72 Cb -0.00 -3.17 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 3ezm s GLU 72 CO 0.01 -0.36 -0.23 0.00 0.02 0.00 0.00 175.26 174.70 3ezm s LYS 74 N -1.86 4.69 0.78 0.00 1.02 -0.27 -1.09 119.74 123.02 3ezm s LYS 74 Ca 0.15 1.65 -0.04 0.00 0.02 0.00 0.00 55.97 57.75 3ezm s LYS 74 Cb -0.10 -3.26 0.15 0.00 -0.52 0.00 0.00 37.83 34.10 3ezm s LYS 74 CO 0.06 0.26 1.08 0.95 -0.92 0.00 0.00 175.35 176.78 3ezm s THR 75 N -0.75 2.07 0.50 2.17 -4.23 0.37 -4.88 115.64 110.87 3ezm s THR 75 Ca 0.45 -0.47 0.18 0.00 -1.18 0.00 0.00 61.69 60.67 3ezm s THR 75 Cb -0.29 -2.60 0.25 0.00 1.34 0.00 0.00 72.50 71.21 3ezm s THR 75 CO 0.35 0.00 2.10 0.03 -0.54 0.00 0.00 174.62 176.57 3ezm h ARG 76 N -0.81 0.00 -0.00 3.99 2.47 -1.97 0.04 114.38 118.10 3ezm h ARG 76 Ca -0.37 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.35 3ezm h ARG 76 Cb 1.26 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.58 3ezm h ARG 76 CO 0.38 0.07 0.00 0.00 0.56 0.00 0.00 179.97 180.98 3ezm n ALA 77 N -2.49 2.58 -1.93 0.04 0.00 -1.26 -4.89 120.51 112.56 3ezm n ALA 77 Ca -0.03 -0.09 -0.12 0.00 0.00 0.00 0.00 53.44 53.20 3ezm n ALA 77 Cb 0.15 -1.21 -0.02 0.00 0.00 0.00 0.00 19.45 18.37 3ezm n ALA 77 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3ezm n GLN 78 N -0.68 -0.91 -4.70 0.00 1.13 0.00 -5.03 117.38 107.20 3ezm n GLN 78 Ca 0.10 0.69 -0.31 0.00 -1.94 0.00 0.00 57.00 55.53 3ezm n GLN 78 Cb 0.05 -4.80 -0.12 0.00 0.11 0.00 0.00 30.24 25.48 3ezm n GLN 78 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3ezm s GLN 79 N -4.06 2.26 0.03 -1.09 -0.21 -1.26 -4.81 119.66 110.52 3ezm s GLN 79 Ca 0.00 -0.87 -0.25 0.00 0.02 0.00 0.00 55.36 54.26 3ezm s GLN 79 Cb 0.00 -2.28 -0.05 0.00 1.00 0.00 0.00 33.01 31.68 3ezm s GLN 79 CO 0.00 0.57 0.77 -0.06 -2.12 0.00 0.00 175.29 174.45 3ezm s PHE 80 N -0.88 3.71 0.13 0.91 0.40 -1.26 -0.48 117.98 120.51 3ezm s PHE 80 Ca 0.14 1.46 0.04 0.00 -0.60 0.00 0.00 56.93 57.97 3ezm s PHE 80 Cb -0.11 -2.84 -0.04 0.00 0.51 0.00 0.00 43.02 40.54 3ezm s PHE 80 CO 0.04 0.23 -0.10 0.14 0.70 0.00 0.00 175.22 176.23 3ezm s VAL 81 N 0.13 1.10 0.19 -0.44 -7.23 -0.25 -4.91 120.40 108.98 3ezm s VAL 81 Ca 0.39 -1.95 -0.29 0.00 -1.81 0.00 0.00 61.98 58.33 3ezm s VAL 81 Cb -0.20 -1.72 -0.08 0.00 0.56 0.00 0.00 36.38 34.94 3ezm s VAL 81 CO 0.23 -0.70 0.90 -0.44 -0.31 0.00 0.00 175.10 174.78 3ezm s SER 82 N -2.97 7.54 0.11 4.85 0.01 -1.26 -1.06 113.70 120.92 3ezm s SER 82 Ca 0.14 1.83 -0.13 0.00 1.31 0.00 0.00 55.95 59.10 3ezm s SER 82 Cb 0.01 -2.58 0.02 0.00 0.21 0.00 0.00 66.02 63.68 3ezm s SER 82 CO 0.00 0.11 0.31 0.28 0.41 0.00 0.00 173.24 174.35 3ezm s THR 83 N -0.84 0.10 0.13 1.44 -1.32 -0.55 -4.93 115.64 109.67 3ezm s THR 83 Ca 0.41 -0.85 -0.17 0.00 -1.21 0.00 0.00 61.69 59.87 3ezm s THR 83 Cb -0.25 -1.25 0.04 0.00 -1.51 0.00 0.00 72.50 69.53 3ezm s THR 83 CO 0.30 -0.47 0.43 -1.59 -2.21 0.00 0.00 174.62 171.08 3ezm s LYS 84 N -3.83 1.12 -0.11 7.08 -2.85 -1.26 -1.72 119.74 118.16 3ezm s LYS 84 Ca 0.04 -0.70 -0.10 0.00 -1.00 0.00 0.00 55.97 54.22 3ezm s LYS 84 Cb 0.03 0.49 0.03 0.00 -2.06 0.00 0.00 37.83 36.32 3ezm s LYS 84 CO -0.11 -0.45 0.29 -1.50 0.10 0.00 0.00 175.35 173.68 3ezm s ILE 85 N -3.80 -0.00 -0.49 3.79 2.07 -0.28 -4.98 121.20 117.50 3ezm s ILE 85 Ca 0.03 0.02 -0.27 0.00 -1.41 0.00 0.00 60.65 59.02 3ezm s ILE 85 Cb 0.01 -0.41 0.03 0.00 0.13 0.00 0.00 42.46 42.22 3ezm s ILE 85 CO -0.11 0.01 1.02 0.21 -1.91 0.00 0.00 174.94 174.16 3ezm s ASN 86 N 0.29 6.52 0.61 4.50 3.84 -1.26 -0.77 114.94 128.67 3ezm s ASN 86 Ca -0.01 0.19 0.39 0.00 0.21 0.00 0.00 52.86 53.64 3ezm s ASN 86 Cb -0.03 -2.49 1.97 0.00 -0.55 0.00 0.00 41.25 40.14 3ezm s ASN 86 CO -0.01 -1.17 2.21 -0.07 -2.79 0.00 0.00 177.10 175.27 3ezm h LEU 87 N 10.95 0.00 -0.48 3.21 3.38 -0.95 -1.38 115.31 130.05 3ezm h LEU 87 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3ezm h LEU 87 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3ezm h LEU 87 CO 1.08 0.01 0.00 0.47 0.09 0.00 0.00 178.44 180.09 3ezm n ASP 88 N -3.16 0.32 -0.28 -0.43 8.00 -1.25 -1.14 116.55 118.61 3ezm n ASP 88 Ca -0.02 0.60 -0.05 0.00 0.71 0.00 0.00 54.79 56.03 3ezm n ASP 88 Cb 0.17 -0.66 0.06 0.00 -0.02 0.00 0.00 41.12 40.67 3ezm n ASP 88 CO 0.00 0.00 0.00 0.44 -0.39 0.00 0.00 177.20 177.25 3ezm h ASP 89 N 0.00 0.97 0.00 -2.24 3.32 -1.62 -3.38 116.42 113.47 3ezm h ASP 89 Ca 0.00 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 56.93 3ezm h ASP 89 Cb 0.20 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.50 3ezm h ASP 89 CO 0.00 0.81 0.00 1.41 -1.72 0.00 0.00 179.24 179.74 3ezm n HIS 90 N -4.42 0.00 -3.57 4.55 8.25 -1.09 -5.02 115.22 113.93 3ezm n HIS 90 Ca 0.07 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.14 3ezm n HIS 90 Cb 0.12 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.12 3ezm n HIS 90 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 3ezm s ILE 91 N -0.10 5.26 0.28 1.59 -1.09 -0.29 -1.16 121.20 125.68 3ezm s ILE 91 Ca 0.00 0.01 0.10 0.00 -2.23 0.00 0.00 60.65 58.53 3ezm s ILE 91 Cb 0.00 -3.58 -0.05 0.00 -1.58 0.00 0.00 42.46 37.26 3ezm s ILE 91 CO 0.00 0.15 -0.05 0.00 -1.23 0.00 0.00 174.94 173.81 3ezm s ALA 92 N 1.74 3.07 -0.50 9.38 0.00 -0.09 -4.66 121.76 130.69 3ezm s ALA 92 Ca 0.07 -1.75 -0.15 0.00 0.00 0.00 0.00 51.96 50.12 3ezm s ALA 92 Cb -0.16 -0.60 0.10 0.00 0.00 0.00 0.00 23.12 22.46 3ezm s ALA 92 CO 0.11 0.24 0.44 1.21 0.00 0.00 0.00 175.76 177.76 3ezm s ASN 93 N -3.64 6.14 -0.58 0.00 2.47 -1.26 -1.18 114.94 116.88 3ezm s ASN 93 Ca 0.32 -1.56 -0.15 0.00 0.42 0.00 0.00 52.86 51.88 3ezm s ASN 93 Cb -0.05 -2.19 0.14 0.00 -1.45 0.00 0.00 41.25 37.71 3ezm s ASN 93 CO 0.19 -0.74 0.53 -0.63 -3.72 0.00 0.00 177.10 172.73 3ezm s ILE 94 N 1.61 5.19 -1.50 -5.21 -1.09 -0.07 -4.59 121.20 115.54 3ezm s ILE 94 Ca 0.04 -1.70 -0.07 0.00 -2.23 0.00 0.00 60.65 56.69 3ezm s ILE 94 Cb -0.27 -4.31 0.06 0.00 -1.58 0.00 0.00 42.46 36.35 3ezm s ILE 94 CO 0.05 -0.89 0.61 -0.67 -1.23 0.00 0.00 174.94 172.80 3ezm n ASP 95 N 4.99 -1.75 0.00 3.58 2.03 -1.26 -1.91 116.55 122.23 3ezm n ASP 95 Ca -0.09 -0.97 0.00 0.00 0.52 0.00 0.00 54.79 54.25 3ezm n ASP 95 Cb 0.41 -3.13 0.00 0.00 -0.72 0.00 0.00 41.12 37.68 3ezm n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3ezm n GLY 96 N -1.76 0.73 3.23 0.27 0.00 -1.26 -5.06 105.19 101.33 3ezm n GLY 96 Ca -0.16 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.56 3ezm n GLY 96 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ezm s THR 97 N -2.49 1.91 0.02 2.61 2.01 -0.80 -5.10 115.64 113.79 3ezm s THR 97 Ca 0.00 -0.97 -0.30 0.00 0.31 0.00 0.00 61.69 60.72 3ezm s THR 97 Cb 0.00 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.83 3ezm s THR 97 CO 0.00 0.53 1.27 -0.76 -0.69 0.00 0.00 174.62 174.98 3ezm s LEU 98 N -0.00 4.33 -0.02 4.42 1.43 -1.26 -0.89 118.68 126.69 3ezm s LEU 98 Ca -0.07 2.02 -0.02 0.00 -1.03 0.00 0.00 54.13 55.03 3ezm s LEU 98 Cb -0.14 -3.57 0.00 0.00 0.03 0.00 0.00 46.19 42.51 3ezm s LEU 98 CO 0.04 -0.59 0.06 -0.54 0.23 0.00 0.00 176.35 175.56 3ezm s LYS 99 N 1.74 0.15 0.27 1.70 1.02 -0.33 -4.96 119.74 119.34 3ezm s LYS 99 Ca 0.60 -0.06 -0.23 0.00 0.02 0.00 0.00 55.97 56.30 3ezm s LYS 99 Cb -0.29 0.07 -0.09 0.00 -0.52 0.00 0.00 37.83 36.99 3ezm s LYS 99 CO 0.27 -0.03 0.83 -0.47 -0.92 0.00 0.00 175.35 175.03 3ezm s TYR 100 N -0.34 3.67 0.00 3.18 5.04 -1.26 -0.91 117.35 126.73 3ezm s TYR 100 Ca -0.04 1.59 0.00 0.00 -2.44 0.00 0.00 57.07 56.18 3ezm s TYR 100 Cb -0.03 -2.77 0.00 0.00 0.35 0.00 0.00 41.96 39.51 3ezm s TYR 100 CO 0.00 0.28 0.00 -0.85 -1.34 0.00 0.00 175.55 173.64