#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4s s GLN 2 N 0.00 3.08 -0.18 3.17 -1.52 -1.26 -3.29 119.66 119.65 3g4s s GLN 2 Ca 0.00 -0.59 -0.07 0.00 -1.95 0.00 0.00 55.36 52.74 3g4s s GLN 2 Cb 0.00 -2.84 0.08 0.00 -0.22 0.00 0.00 33.01 30.03 3g4s s GLN 2 CO 0.00 0.58 0.41 1.41 -0.25 0.00 0.00 175.29 177.44 3g4s s MET 3 N -2.41 0.33 1.06 2.91 1.75 -0.65 -4.92 119.30 117.38 3g4s s MET 3 Ca 0.31 0.94 -0.19 0.00 -1.25 0.00 0.00 55.69 55.49 3g4s s MET 3 Cb -0.12 0.19 0.02 0.00 2.84 0.00 0.00 34.83 37.76 3g4s s MET 3 CO 0.24 -0.22 -0.26 -0.35 -0.65 0.00 0.00 175.02 173.78 3g4s n PRO 4 N 5.02 -0.96 -0.09 4.11 -0.04 -1.26 -3.50 135.00 138.28 3g4s n PRO 4 Ca -0.13 -0.26 -0.15 0.00 -0.04 0.00 0.00 63.50 62.91 3g4s n PRO 4 Cb 0.51 -1.55 -0.09 0.00 -0.04 0.00 0.00 33.50 32.32 3g4s n PRO 4 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 3g4s h ARG 5 N -1.71 0.00 -4.73 0.54 9.65 -1.84 -3.43 114.38 112.87 3g4s h ARG 5 Ca -0.49 0.00 -0.64 0.00 -1.10 0.00 0.00 59.98 57.75 3g4s h ARG 5 Cb 1.35 0.00 -0.37 0.00 -1.39 0.00 0.00 29.97 29.56 3g4s h ARG 5 CO 0.33 0.77 -0.81 1.03 2.80 0.00 0.00 179.97 184.09 3g4s s ARG 6 N -2.24 2.20 0.02 0.20 0.52 -1.26 -0.66 118.95 117.73 3g4s s ARG 6 Ca -0.22 -1.05 0.02 0.00 -0.52 0.00 0.00 55.73 53.96 3g4s s ARG 6 Cb 0.02 -2.64 -0.01 0.00 0.52 0.00 0.00 34.95 32.84 3g4s s ARG 6 CO 0.51 -0.47 -0.06 -0.59 0.02 0.00 0.00 175.30 174.71 3g4s s PHE 7 N 1.27 0.55 -0.54 -0.53 -0.00 -1.04 -4.89 117.98 112.81 3g4s s PHE 7 Ca -0.04 -0.29 -0.28 0.00 -0.00 0.00 0.00 56.93 56.32 3g4s s PHE 7 Cb -0.17 -0.34 0.02 0.00 -0.00 0.00 0.00 43.02 42.53 3g4s s PHE 7 CO -0.07 -0.05 1.26 -0.80 -0.00 0.00 0.00 175.22 175.56 3g4s s ASN 8 N -0.85 6.39 0.18 1.98 0.01 -1.26 -0.46 114.94 120.93 3g4s s ASN 8 Ca -0.04 0.29 0.02 0.00 -0.71 0.00 0.00 52.86 52.42 3g4s s ASN 8 Cb -0.06 -2.55 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 3g4s s ASN 8 CO 0.00 -1.50 0.19 1.07 -1.51 0.00 0.00 177.10 175.36 3g4s n THR 9 N 6.79 0.00 -2.12 1.60 5.66 -1.07 -4.92 114.28 120.22 3g4s n THR 9 Ca 0.11 -1.14 -0.30 0.00 -3.05 0.00 0.00 64.05 59.67 3g4s n THR 9 Cb 0.49 0.62 0.01 0.00 -1.55 0.00 0.00 70.33 69.90 3g4s n THR 9 CO 0.00 0.00 0.00 -0.47 -3.05 0.00 0.00 175.07 171.55 3g4s s TYR 10 N -3.18 3.55 -0.26 1.09 5.04 -1.26 -2.75 117.35 119.59 3g4s s TYR 10 Ca 0.19 1.08 -0.07 0.00 -2.44 0.00 0.00 57.07 55.83 3g4s s TYR 10 Cb 0.00 -2.65 0.12 0.00 0.35 0.00 0.00 41.96 39.79 3g4s s TYR 10 CO 0.13 -0.64 0.53 0.00 -1.34 0.00 0.00 175.55 174.24 3g4s n PRO 12 N 5.42 0.18 -0.46 0.00 -0.04 -1.26 -1.22 135.00 137.61 3g4s n PRO 12 Ca -0.09 0.17 0.06 0.00 -0.04 0.00 0.00 63.50 63.60 3g4s n PRO 12 Cb 0.49 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.69 3g4s n PRO 12 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3g4s n HIS 13 N -1.30 0.85 0.00 0.54 8.25 -1.26 -4.54 115.22 117.76 3g4s n HIS 13 Ca 0.06 -1.03 0.00 0.00 -0.26 0.00 0.00 57.72 56.49 3g4s n HIS 13 Cb 0.11 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 30.89 3g4s n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3g4s n ASN 15 N -1.23 -3.99 -0.27 0.00 2.85 -0.36 -4.99 115.26 107.28 3g4s n ASN 15 Ca 0.00 0.19 0.00 0.00 -0.11 0.00 0.00 54.58 54.66 3g4s n ASN 15 Cb 0.00 -2.54 0.00 0.00 1.24 0.00 0.00 39.78 38.48 3g4s n ASN 15 CO 0.00 0.00 0.00 -1.84 -2.11 0.00 0.00 177.26 173.31 3g4s n GLU 16 N -2.55 0.00 -3.94 1.20 0.28 -1.26 -5.04 120.64 109.33 3g4s n GLU 16 Ca -0.10 0.00 -0.34 0.00 -0.16 0.00 0.00 57.16 56.56 3g4s n GLU 16 Cb 0.38 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.11 3g4s n GLU 16 CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3g4s s HIS 17 N -3.14 3.38 0.23 -1.84 3.76 -1.26 -3.82 115.29 112.61 3g4s s HIS 17 Ca 0.00 -2.22 0.05 0.00 -0.15 0.00 0.00 55.06 52.74 3g4s s HIS 17 Cb 0.00 -2.35 -0.05 0.00 1.11 0.00 0.00 32.58 31.29 3g4s s HIS 17 CO 0.00 -0.87 -0.05 -0.65 -0.85 0.00 0.00 174.74 172.32 3g4s s GLN 18 N 1.15 1.37 -0.53 1.40 -0.21 -1.11 -4.87 119.66 116.86 3g4s s GLN 18 Ca -0.02 -1.67 -0.27 0.00 0.02 0.00 0.00 55.36 53.42 3g4s s GLN 18 Cb -0.20 -0.85 -0.01 0.00 1.00 0.00 0.00 33.01 32.95 3g4s s GLN 18 CO -0.03 0.00 1.65 -2.00 -2.12 0.00 0.00 175.29 172.79 3g4s s GLU 19 N -3.78 3.07 -0.19 2.91 2.12 -1.26 -2.59 118.70 118.98 3g4s s GLU 19 Ca 0.26 0.72 -0.23 0.00 0.36 0.00 0.00 54.97 56.08 3g4s s GLU 19 Cb 0.04 -4.23 -0.02 0.00 0.26 0.00 0.00 34.13 30.18 3g4s s GLU 19 CO 0.08 -2.20 0.75 -1.01 -0.54 0.00 0.00 175.26 172.35 3g4s s HIS 20 N 7.30 3.39 -0.20 5.30 3.76 0.39 -2.03 115.29 133.21 3g4s s HIS 20 Ca 0.63 1.11 -0.24 0.00 -0.15 0.00 0.00 55.06 56.42 3g4s s HIS 20 Cb -0.14 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.60 3g4s s HIS 20 CO 0.25 -0.23 0.78 -2.00 -0.85 0.00 0.00 174.74 172.69 3g4s s GLU 21 N 2.14 4.24 -0.60 1.40 -6.30 0.17 -2.49 118.70 117.27 3g4s s GLU 21 Ca 0.34 0.90 -0.20 0.00 -2.50 0.00 0.00 54.97 53.51 3g4s s GLU 21 Cb -0.16 -3.60 0.10 0.00 0.00 0.00 0.00 34.13 30.47 3g4s s GLU 21 CO 0.11 -0.36 0.75 0.08 0.02 0.00 0.00 175.26 175.86 3g4s s VAL 22 N 2.29 4.73 0.03 3.70 1.01 0.16 -2.30 120.40 130.01 3g4s s VAL 22 Ca 0.35 -0.86 0.07 0.00 0.00 0.00 0.00 61.98 61.54 3g4s s VAL 22 Cb -0.16 -4.52 -0.03 0.00 0.00 0.00 0.00 36.38 31.67 3g4s s VAL 22 CO 0.10 -1.18 -0.19 -1.83 0.00 0.00 0.00 175.10 172.01 3g4s s GLU 23 N 2.94 2.10 0.13 2.72 -1.05 -1.07 -4.85 118.70 119.62 3g4s s GLU 23 Ca 0.14 -0.96 -0.31 0.00 -0.15 0.00 0.00 54.97 53.69 3g4s s GLU 23 Cb -0.23 -2.18 -0.07 0.00 -0.44 0.00 0.00 34.13 31.21 3g4s s GLU 23 CO 0.07 0.55 1.28 0.15 0.95 0.00 0.00 175.26 178.26 3g4s s LYS 24 N -1.27 4.40 -0.26 -4.83 1.02 -1.26 -2.57 119.74 114.97 3g4s s LYS 24 Ca 0.14 1.94 -0.28 0.00 0.02 0.00 0.00 55.97 57.79 3g4s s LYS 24 Cb -0.10 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.95 3g4s s LYS 24 CO 0.04 -0.27 1.02 0.08 -0.92 0.00 0.00 175.35 175.29 3g4s s VAL 25 N 0.63 4.65 0.06 3.17 1.01 -1.23 -4.93 120.40 123.77 3g4s s VAL 25 Ca 0.59 1.88 -0.20 0.00 0.00 0.00 0.00 61.98 64.24 3g4s s VAL 25 Cb -0.34 -4.31 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 3g4s s VAL 25 CO 0.33 -0.25 0.60 -0.13 0.00 0.00 0.00 175.10 175.65 3g4s s ARG 26 N 3.27 4.27 0.00 2.72 0.52 -1.26 -5.05 118.95 123.42 3g4s s ARG 26 Ca 0.43 0.78 0.00 0.00 -0.52 0.00 0.00 55.73 56.42 3g4s s ARG 26 Cb -0.14 -3.27 0.00 0.00 0.52 0.00 0.00 34.95 32.06 3g4s s ARG 26 CO 0.09 0.56 0.00 0.43 0.02 0.00 0.00 175.30 176.40 3g4s n SER 27 N 1.99 0.00 0.00 0.23 7.64 -1.26 -5.10 113.62 117.12 3g4s n SER 27 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.79 3g4s n SER 27 Cb 0.51 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.71 3g4s n SER 27 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g4s n GLY 28 N 0.09 2.61 3.70 0.23 0.00 -1.26 -5.15 105.19 105.42 3g4s n GLY 28 Ca 0.00 -0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 3g4s n GLY 28 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g4s s ARG 29 N -1.07 4.38 -0.33 1.61 0.52 -1.26 -4.99 118.95 117.80 3g4s s ARG 29 Ca 0.00 1.81 -0.29 0.00 -0.52 0.00 0.00 55.73 56.73 3g4s s ARG 29 Cb 0.00 -3.42 0.00 0.00 0.52 0.00 0.00 34.95 32.05 3g4s s ARG 29 CO 0.00 -0.37 1.35 -0.65 0.02 0.00 0.00 175.30 175.65 3g4s s GLN 30 N 1.56 3.80 0.15 3.54 -0.21 -1.26 -4.91 119.66 122.33 3g4s s GLN 30 Ca 0.60 1.16 0.11 0.00 0.02 0.00 0.00 55.36 57.24 3g4s s GLN 30 Cb -0.29 -3.93 -0.12 0.00 1.00 0.00 0.00 33.01 29.66 3g4s s GLN 30 CO 0.27 -1.27 1.24 1.79 -2.12 0.00 0.00 175.29 175.21 3g4s h THR 31 N 6.13 1.29 0.00 -0.19 1.35 -2.06 -3.48 112.91 115.94 3g4s h THR 31 Ca -0.27 -2.89 0.00 0.00 -0.55 0.00 0.00 66.41 62.70 3g4s h THR 31 Cb 1.10 2.62 0.00 0.00 -1.73 0.00 0.00 68.15 70.14 3g4s h THR 31 CO 1.05 0.73 0.00 0.61 -0.25 0.00 0.00 175.52 177.66 3g4s n GLY 32 N 1.33 0.43 2.67 5.82 0.00 -1.26 -4.99 105.19 109.20 3g4s n GLY 32 Ca -0.02 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.65 3g4s n GLY 32 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3g4s n MET 33 N -2.75 2.95 -4.50 1.61 2.81 -1.26 -4.65 117.12 111.33 3g4s n MET 33 Ca 0.00 -3.75 -0.31 0.00 -1.81 0.00 0.00 57.70 51.83 3g4s n MET 33 Cb 0.04 -2.27 -0.05 0.00 -0.71 0.00 0.00 33.22 30.23 3g4s n MET 33 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 3g4s s LYS 34 N -3.89 2.22 0.02 0.03 3.01 -1.26 -5.08 119.74 114.80 3g4s s LYS 34 Ca 0.53 -2.30 -0.28 0.00 -1.01 0.00 0.00 55.97 52.91 3g4s s LYS 34 Cb 0.44 -1.70 -0.16 0.00 -1.01 0.00 0.00 37.83 35.40 3g4s s LYS 34 CO -0.27 -0.46 1.23 2.35 0.51 0.00 0.00 175.35 178.71 3g4s h TRP 35 N 1.14 -0.80 0.00 3.18 7.01 -2.01 -3.26 115.95 121.20 3g4s h TRP 35 Ca -0.42 -0.02 0.00 0.00 2.11 0.00 0.00 58.89 60.56 3g4s h TRP 35 Cb 1.31 0.27 0.00 0.00 -2.10 0.00 0.00 29.16 28.64 3g4s h TRP 35 CO 1.39 -0.46 0.00 1.51 -2.79 0.00 0.00 178.44 178.09 3g4s n ILE 36 N -5.38 0.67 0.15 2.65 0.13 -1.26 -3.04 119.36 113.28 3g4s n ILE 36 Ca -0.12 0.02 0.01 0.00 -1.10 0.00 0.00 62.75 61.56 3g4s n ILE 36 Cb 0.36 -0.86 0.20 0.00 -0.84 0.00 0.00 39.64 38.50 3g4s n ILE 36 CO 0.00 0.00 0.00 0.44 2.80 0.00 0.00 176.55 179.79 3g4s h ASP 37 N 0.00 0.00 1.03 9.51 3.32 -1.88 -2.91 116.42 125.49 3g4s h ASP 37 Ca 0.00 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.91 3g4s h ASP 37 Cb 0.50 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 3g4s h ASP 37 CO 0.00 0.56 -1.03 0.03 -1.72 0.00 0.00 179.24 177.09 3g4s h ARG 38 N 0.00 0.00 0.00 3.56 3.08 -1.58 -3.31 114.38 116.12 3g4s h ARG 38 Ca -0.01 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.02 3g4s h ARG 38 Cb 1.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.14 3g4s h ARG 38 CO 0.07 0.38 -0.11 1.96 -1.07 0.00 0.00 179.97 181.20 3g4s h GLN 39 N 0.00 0.00 0.00 0.04 4.20 -1.51 0.17 115.11 118.00 3g4s h GLN 39 Ca -0.09 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.62 3g4s h GLN 39 Cb 1.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.27 3g4s h GLN 39 CO 0.05 0.11 -0.03 -0.09 -0.67 0.00 0.00 178.83 178.21 3g4s h ARG 40 N 0.00 0.00 0.00 1.46 2.43 -1.64 -2.58 114.38 114.05 3g4s h ARG 40 Ca -0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 59.02 3g4s h ARG 40 Cb 0.39 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 3g4s h ARG 40 CO 0.01 0.00 -1.84 0.39 -1.51 0.00 0.00 179.97 177.02 3g4s n GLU 41 N -2.68 1.24 -0.09 0.20 1.02 -0.46 -4.46 120.64 115.41 3g4s n GLU 41 Ca 0.05 -0.06 -0.09 0.00 -0.02 0.00 0.00 57.16 57.04 3g4s n GLU 41 Cb 0.48 -1.35 -0.03 0.00 -0.02 0.00 0.00 31.44 30.52 3g4s n GLU 41 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3g4s n ARG 42 N -2.32 0.52 0.00 3.49 1.74 0.46 -4.62 116.66 115.94 3g4s n ARG 42 Ca -0.15 0.20 0.06 0.00 -0.77 0.00 0.00 57.85 57.19 3g4s n ARG 42 Cb 0.73 -1.40 0.32 0.00 -1.02 0.00 0.00 32.46 31.08 3g4s n ARG 42 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 3g4s n ASN 43 N -4.43 0.00 -4.79 0.55 4.13 -0.97 -4.76 115.26 104.99 3g4s n ASN 43 Ca -0.14 -0.19 -0.37 0.00 1.68 0.00 0.00 54.58 55.57 3g4s n ASN 43 Cb 0.51 -0.10 -0.07 0.00 -1.54 0.00 0.00 39.78 38.58 3g4s n ASN 43 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 3g4s s SER 44 N -2.20 6.48 0.00 6.41 0.01 -1.23 -5.01 113.70 118.15 3g4s s SER 44 Ca 0.15 0.57 0.00 0.00 1.31 0.00 0.00 55.95 57.98 3g4s s SER 44 Cb 0.08 -2.16 0.00 0.00 0.21 0.00 0.00 66.02 64.15 3g4s s SER 44 CO 0.15 0.24 0.00 0.61 0.41 0.00 0.00 173.24 174.64 3g4s n GLY 45 N 2.70 3.33 3.70 3.44 0.00 -1.26 -4.97 105.19 112.12 3g4s n GLY 45 Ca -0.15 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.18 3g4s n GLY 45 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 3g4s n ILE 46 N 0.00 0.23 -2.24 -0.61 5.41 -1.26 -4.62 119.36 116.27 3g4s n ILE 46 Ca 0.00 -0.04 0.00 0.00 1.00 0.00 0.00 62.75 63.71 3g4s n ILE 46 Cb 0.00 -2.03 0.00 0.00 -0.71 0.00 0.00 39.64 36.90 3g4s n ILE 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3g4s n GLY 47 N 4.09 -4.39 1.66 7.39 0.00 -1.26 -4.98 105.19 107.71 3g4s n GLY 47 Ca 0.17 0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.23 3g4s n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g4s n ASN 48 N 1.89 -8.42 0.00 1.61 5.15 -1.26 -5.03 115.26 109.20 3g4s n ASN 48 Ca 0.00 1.30 0.00 0.00 -0.60 0.00 0.00 54.58 55.28 3g4s n ASN 48 Cb 0.00 -5.01 0.00 0.00 -0.53 0.00 0.00 39.78 34.24 3g4s n ASN 48 CO 0.00 0.00 0.00 0.47 1.40 0.00 0.00 177.26 179.13 3g4s n ASP 49 N -1.09 0.00 0.00 1.20 8.00 -1.26 -4.77 116.55 118.62 3g4s n ASP 49 Ca 0.00 -1.00 0.00 0.00 0.71 0.00 0.00 54.79 54.50 3g4s n ASP 49 Cb 0.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 3g4s n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3g4s n GLY 50 N 0.00 1.81 0.16 0.44 0.00 -1.26 -3.41 105.19 102.93 3g4s n GLY 50 Ca 0.00 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.17 3g4s n GLY 50 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 3g4s h LYS 51 N 0.00 0.00 -0.01 1.61 2.10 -2.02 -3.26 116.57 114.99 3g4s h LYS 51 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3g4s h LYS 51 Cb 0.00 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.33 3g4s h LYS 51 CO 0.00 0.17 -0.34 1.19 -2.00 0.00 0.00 179.45 178.47 3g4s n PHE 52 N -3.00 0.00 -1.48 0.07 3.01 -1.22 -3.96 117.46 110.88 3g4s n PHE 52 Ca 0.01 0.00 -0.35 0.00 1.01 0.00 0.00 57.45 58.12 3g4s n PHE 52 Cb 0.63 -0.15 0.07 0.00 -0.01 0.00 0.00 39.48 40.02 3g4s n PHE 52 CO 0.00 0.00 0.00 0.43 1.01 0.00 0.00 176.76 178.20 3g4s n SER 53 N -0.87 7.49 -4.29 4.37 7.64 -1.23 -4.90 113.62 121.83 3g4s n SER 53 Ca 0.10 -3.79 -0.29 0.00 1.01 0.00 0.00 58.87 55.90 3g4s n SER 53 Cb 0.35 -0.95 -0.06 0.00 -1.01 0.00 0.00 64.21 62.53 3g4s n SER 53 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3g4s n LYS 54 N -0.84 0.80 -4.10 1.43 5.02 -1.25 -4.87 118.16 114.34 3g4s n LYS 54 Ca 0.60 -3.38 -0.10 0.00 -2.02 0.00 0.00 58.31 53.41 3g4s n LYS 54 Cb 0.61 1.12 -0.11 0.00 -0.02 0.00 0.00 35.03 36.63 3g4s n LYS 54 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 3g4s s VAL 55 N -2.76 0.47 0.37 -0.18 -7.23 -1.26 -5.15 120.40 104.66 3g4s s VAL 55 Ca 0.05 -1.52 -0.28 0.00 -1.81 0.00 0.00 61.98 58.42 3g4s s VAL 55 Cb 0.00 -1.14 -0.11 0.00 0.56 0.00 0.00 36.38 35.69 3g4s s VAL 55 CO 0.03 -0.70 1.41 -2.65 -0.31 0.00 0.00 175.10 172.88 3g4s n PRO 56 N 0.66 2.44 -2.20 4.82 -0.02 -1.26 -5.03 135.00 134.41 3g4s n PRO 56 Ca -0.17 0.86 -0.28 0.00 -2.02 0.00 0.00 63.50 61.89 3g4s n PRO 56 Cb 0.58 -2.54 0.17 0.00 -0.02 0.00 0.00 33.50 31.69 3g4s n PRO 56 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3g4s s GLY 57 N -0.22 1.79 0.00 -1.23 0.00 -1.26 -5.13 107.32 101.27 3g4s s GLY 57 Ca 0.55 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.76 3g4s s GLY 57 CO 0.63 -0.76 0.00 0.61 0.00 0.00 0.00 173.10 173.57 3g4s n GLY 58 N -3.47 1.92 0.74 0.20 0.00 -1.26 -5.17 105.19 98.14 3g4s n GLY 58 Ca 0.16 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.28 3g4s n GLY 58 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3g4s n ASP 59 N 0.00 -0.35 -4.98 1.61 5.75 -1.26 -5.19 116.55 112.12 3g4s n ASP 59 Ca 0.00 -1.38 -0.19 0.00 -0.01 0.00 0.00 54.79 53.21 3g4s n ASP 59 Cb 0.00 0.62 0.03 0.00 -1.03 0.00 0.00 41.12 40.74 3g4s n ASP 59 CO 0.00 0.00 0.00 -0.75 -0.11 0.00 0.00 177.20 176.34 3g4s s LYS 60 N -2.12 2.63 0.00 0.11 2.47 -1.26 -4.99 119.74 116.58 3g4s s LYS 60 Ca 0.05 -1.12 0.00 0.00 -1.56 0.00 0.00 55.97 53.34 3g4s s LYS 60 Cb -0.00 -2.64 0.00 0.00 -1.46 0.00 0.00 37.83 33.72 3g4s s LYS 60 CO 0.04 -0.52 0.62 -0.35 0.16 0.00 0.00 175.35 175.29 3g4s n PRO 61 N -2.09 0.84 -3.63 4.03 -0.04 -1.26 -4.64 135.00 128.20 3g4s n PRO 61 Ca 0.09 0.00 -0.11 0.00 -0.04 0.00 0.00 63.50 63.44 3g4s n PRO 61 Cb 0.60 -1.23 -0.07 0.00 -0.04 0.00 0.00 33.50 32.76 3g4s n PRO 61 CO 0.00 0.00 0.00 0.99 -0.04 0.00 0.00 175.50 176.45 3g4s s THR 62 N -1.46 0.00 0.17 0.52 2.01 -1.26 -5.07 115.64 110.55 3g4s s THR 62 Ca 0.00 0.00 0.04 0.00 0.31 0.00 0.00 61.69 62.04 3g4s s THR 62 Cb 0.00 -1.00 -0.04 0.00 0.01 0.00 0.00 72.50 71.47 3g4s s THR 62 CO 0.00 0.00 0.22 -0.54 -0.69 0.00 0.00 174.62 173.61 3g4s s LYS 63 N 0.69 3.16 0.00 4.92 -0.14 -1.26 -5.01 119.74 122.11 3g4s s LYS 63 Ca -0.02 -0.77 0.00 0.00 -1.36 0.00 0.00 55.97 53.82 3g4s s LYS 63 Cb -0.05 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.31 3g4s s LYS 63 CO -0.06 0.49 0.00 1.63 -0.76 0.00 0.00 175.35 176.65 3g4s n LYS 64 N -0.58 2.34 -4.55 1.68 5.02 -1.26 -2.83 118.16 117.99 3g4s n LYS 64 Ca -0.08 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 55.91 3g4s n LYS 64 Cb 0.55 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.39 3g4s n LYS 64 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3g4s s THR 65 N 0.00 1.69 -0.51 -0.18 2.01 -0.68 -4.15 115.64 113.82 3g4s s THR 65 Ca 0.00 -0.76 0.03 0.00 0.31 0.00 0.00 61.69 61.27 3g4s s THR 65 Cb 0.00 -1.53 0.14 0.00 0.01 0.00 0.00 72.50 71.13 3g4s s THR 65 CO 0.00 0.48 0.30 -0.62 -0.69 0.00 0.00 174.62 174.09 3g4s s ASP 66 N 0.91 3.95 0.23 3.53 2.15 -1.26 -4.07 116.67 122.11 3g4s s ASP 66 Ca -0.07 -3.01 0.10 0.00 0.43 0.00 0.00 52.55 50.00 3g4s s ASP 66 Cb -0.15 -1.31 -0.04 0.00 -0.30 0.00 0.00 42.92 41.11 3g4s s ASP 66 CO -0.01 -0.22 -0.08 -0.76 -0.17 0.00 0.00 175.17 173.93 3g4s s LEU 67 N -0.21 2.97 -0.13 -1.34 1.43 -1.26 -3.50 118.68 116.64 3g4s s LEU 67 Ca 0.20 -0.69 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 3g4s s LEU 67 Cb -0.20 -1.57 0.01 0.00 0.03 0.00 0.00 46.19 44.47 3g4s s LEU 67 CO -0.04 0.05 -0.18 -0.54 0.23 0.00 0.00 176.35 175.87 3g4s s LYS 68 N -3.27 2.58 -0.93 1.70 1.02 -1.06 -4.73 119.74 115.05 3g4s s LYS 68 Ca 0.28 -0.69 -0.02 0.00 0.02 0.00 0.00 55.97 55.56 3g4s s LYS 68 Cb -0.07 -2.16 0.24 0.00 -0.52 0.00 0.00 37.83 35.32 3g4s s LYS 68 CO 0.17 -0.06 0.90 0.66 -0.92 0.00 0.00 175.35 176.10 3g4s n TYR 69 N 4.21 4.15 -2.75 3.18 4.02 -1.26 -2.58 117.16 126.13 3g4s n TYR 69 Ca -0.19 -3.96 -0.42 0.00 -0.01 0.00 0.00 57.90 53.31 3g4s n TYR 69 Cb 0.51 -1.19 -0.03 0.00 -0.02 0.00 0.00 39.34 38.62 3g4s n TYR 69 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 3g4s s ARG 70 N -1.60 4.26 0.33 -0.72 1.81 -0.97 -3.80 118.95 118.26 3g4s s ARG 70 Ca 0.29 1.22 -0.06 0.00 -1.72 0.00 0.00 55.73 55.47 3g4s s ARG 70 Cb -0.05 -3.63 0.08 0.00 -0.45 0.00 0.00 34.95 30.91 3g4s s ARG 70 CO -0.09 -0.54 0.44 0.00 -0.68 0.00 0.00 175.30 174.43 3g4s h GLY 72 N -0.63 0.00 1.09 0.00 0.00 -1.72 -3.23 103.07 98.57 3g4s h GLY 72 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.84 3g4s h GLY 72 CO 0.10 0.00 -1.63 -2.09 0.00 0.00 0.00 176.54 172.92 3g4s h GLU 73 N -1.00 0.45 0.00 4.80 4.81 -1.98 -3.41 114.58 118.25 3g4s h GLU 73 Ca -0.14 -0.77 -0.22 0.00 -0.13 0.00 0.00 59.36 58.10 3g4s h GLU 73 Cb 1.06 0.29 -0.04 0.00 0.63 0.00 0.00 28.75 30.68 3g4s h GLU 73 CO -0.09 1.36 -1.84 0.00 -0.73 0.00 0.00 179.01 177.71 3g4s n GLY 75 N 2.67 0.50 3.82 0.00 0.00 -1.22 -4.93 105.19 106.03 3g4s n GLY 75 Ca -0.25 -0.82 -0.36 0.00 0.00 0.00 0.00 46.02 44.59 3g4s n GLY 75 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g4s s LYS 76 N -3.67 4.18 -0.14 1.61 -0.14 -1.26 -4.22 119.74 116.10 3g4s s LYS 76 Ca 0.00 0.76 -0.01 0.00 -1.36 0.00 0.00 55.97 55.36 3g4s s LYS 76 Cb 0.00 -2.95 -0.02 0.00 -1.68 0.00 0.00 37.83 33.18 3g4s s LYS 76 CO 0.00 0.45 -0.10 0.00 -0.76 0.00 0.00 175.35 174.94 3g4s s ALA 77 N -1.45 2.75 -0.16 5.17 0.00 -1.25 -3.33 121.76 123.50 3g4s s ALA 77 Ca 0.40 -0.87 -0.06 0.00 0.00 0.00 0.00 51.96 51.43 3g4s s ALA 77 Cb -0.17 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.58 3g4s s ALA 77 CO 0.20 0.22 0.05 -3.38 0.00 0.00 0.00 175.76 172.85 3g4s s HIS 78 N 0.38 3.24 -0.96 0.00 -3.43 -1.26 -4.89 115.29 108.38 3g4s s HIS 78 Ca -0.08 0.09 -0.21 0.00 -0.80 0.00 0.00 55.06 54.06 3g4s s HIS 78 Cb -0.15 -2.00 0.09 0.00 -1.43 0.00 0.00 32.58 29.09 3g4s s HIS 78 CO 0.05 0.24 1.27 -0.51 -2.00 0.00 0.00 174.74 173.80 3g4s s LEU 79 N 0.01 4.26 0.47 5.38 1.43 -1.26 -4.33 118.68 124.64 3g4s s LEU 79 Ca 0.05 -1.69 -0.20 0.00 -1.03 0.00 0.00 54.13 51.26 3g4s s LEU 79 Cb -0.12 -2.48 -0.09 0.00 0.03 0.00 0.00 46.19 43.52 3g4s s LEU 79 CO 0.01 -1.30 1.01 -0.60 0.23 0.00 0.00 176.35 175.70 3g4s s ARG 80 N 3.87 3.92 -0.22 1.70 3.52 -1.26 -4.99 118.95 125.50 3g4s s ARG 80 Ca 0.39 1.27 -0.29 0.00 -0.13 0.00 0.00 55.73 56.97 3g4s s ARG 80 Cb -0.03 -2.12 -0.04 0.00 -1.56 0.00 0.00 34.95 31.20 3g4s s ARG 80 CO -0.08 -0.31 1.87 -2.00 -0.81 0.00 0.00 175.30 173.96 3g4s s GLU 81 N -3.27 3.54 0.02 5.12 2.12 -1.26 -4.89 118.70 120.08 3g4s s GLU 81 Ca 0.65 1.82 -0.30 0.00 0.36 0.00 0.00 54.97 57.50 3g4s s GLU 81 Cb -0.14 -4.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.01 3g4s s GLU 81 CO 0.19 -1.62 1.34 0.20 -0.54 0.00 0.00 175.26 174.83 3g4s s GLY 82 N 5.84 1.99 0.29 -1.50 0.00 -1.26 -5.01 107.32 107.67 3g4s s GLY 82 Ca 0.84 0.87 0.00 0.00 0.00 0.00 0.00 44.72 46.43 3g4s s GLY 82 CO 0.34 2.38 0.49 0.66 0.00 0.00 0.00 173.10 176.96 3g4s s TRP 83 N 2.01 3.49 -1.07 1.90 -2.14 -1.26 -4.46 118.94 117.40 3g4s s TRP 83 Ca 0.62 0.32 -0.23 0.00 2.66 0.00 0.00 56.10 59.47 3g4s s TRP 83 Cb -0.31 -1.86 -0.05 0.00 -3.10 0.00 0.00 33.47 28.16 3g4s s TRP 83 CO 0.27 0.23 1.89 1.03 -2.66 0.00 0.00 176.95 177.71 3g4s s ARG 84 N -3.97 2.70 -0.16 3.25 0.52 -1.26 -1.69 118.95 118.33 3g4s s ARG 84 Ca 0.39 -0.87 -0.22 0.00 -0.52 0.00 0.00 55.73 54.51 3g4s s ARG 84 Cb -0.10 -5.20 -0.03 0.00 0.52 0.00 0.00 34.95 30.15 3g4s s ARG 84 CO 0.33 -3.49 0.68 0.00 0.02 0.00 0.00 175.30 172.83 3g4s s ALA 85 N 9.74 3.50 -0.07 2.13 0.00 -1.13 -4.96 121.76 130.97 3g4s s ALA 85 Ca 0.66 -0.13 -0.25 0.00 0.00 0.00 0.00 51.96 52.25 3g4s s ALA 85 Cb -0.03 -3.01 -0.20 0.00 0.00 0.00 0.00 23.12 19.89 3g4s s ALA 85 CO 0.06 -0.46 0.97 0.78 0.00 0.00 0.00 175.76 177.10 3g4s h GLY 86 N 7.88 -0.07 -5.42 0.00 0.00 -1.92 -3.39 103.07 100.15 3g4s h GLY 86 Ca -0.33 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 46.99 3g4s h GLY 86 CO 0.78 -0.03 -0.20 -1.60 0.00 0.00 0.00 176.54 175.49 3g4s s ARG 87 N -3.35 0.49 -0.20 4.80 3.52 -1.26 -4.96 118.95 117.99 3g4s s ARG 87 Ca -0.15 1.12 -0.03 0.00 -0.13 0.00 0.00 55.73 56.54 3g4s s ARG 87 Cb -0.00 0.33 -0.01 0.00 -1.56 0.00 0.00 34.95 33.71 3g4s s ARG 87 CO 0.60 -0.19 -0.07 -1.17 -0.81 0.00 0.00 175.30 173.65 3g4s s LEU 88 N 2.16 2.78 -0.17 -0.88 2.96 -1.26 -1.73 118.68 122.54 3g4s s LEU 88 Ca -0.07 -0.41 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3g4s s LEU 88 Cb -0.09 -1.69 0.02 0.00 0.50 0.00 0.00 46.19 44.92 3g4s s LEU 88 CO -0.16 0.02 -0.20 -0.70 -1.32 0.00 0.00 176.35 173.99 3g4s s GLU 89 N 1.26 3.01 -0.47 1.98 2.12 -1.21 -5.00 118.70 120.39 3g4s s GLU 89 Ca 0.03 -0.83 -0.24 0.00 0.36 0.00 0.00 54.97 54.29 3g4s s GLU 89 Cb -0.14 -2.55 0.03 0.00 0.26 0.00 0.00 34.13 31.72 3g4s s GLU 89 CO -0.03 -0.17 0.86 -0.06 -0.54 0.00 0.00 175.26 175.32 3g4s s PHE 90 N 1.19 2.94 -0.23 5.30 0.40 -1.24 -1.63 117.98 124.70 3g4s s PHE 90 Ca 0.02 0.23 -0.28 0.00 -0.60 0.00 0.00 56.93 56.30 3g4s s PHE 90 Cb -0.14 -3.84 -0.04 0.00 0.51 0.00 0.00 43.02 39.51 3g4s s PHE 90 CO -0.10 -1.08 2.09 -0.65 0.70 0.00 0.00 175.22 176.18 3g4s s GLN 91 N 3.56 3.24 0.00 0.44 -0.21 -1.23 -4.72 119.66 120.74 3g4s s GLN 91 Ca 0.33 1.90 0.00 0.00 0.02 0.00 0.00 55.36 57.61 3g4s s GLN 91 Cb -0.11 -4.31 0.00 0.00 1.00 0.00 0.00 33.01 29.58 3g4s s GLN 91 CO 0.24 -1.98 0.00 0.39 -2.12 0.00 0.00 175.29 171.82