#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4s s SER 2 N 0.00 6.28 0.32 0.00 1.04 -1.26 -5.09 113.70 114.99 1j4s s SER 2 Ca 0.00 0.77 0.09 0.00 0.48 0.00 0.00 55.95 57.29 1j4s s SER 2 Cb 0.00 -2.17 -0.05 0.00 0.10 0.00 0.00 66.02 63.90 1j4s s SER 2 CO 0.00 -0.48 0.06 0.00 0.98 0.00 0.00 173.24 173.80 1j4s s GLN 3 N -4.57 2.24 0.12 4.02 -2.07 -1.26 -5.08 119.66 113.06 1j4s s GLN 3 Ca 0.45 -1.59 0.02 0.00 -1.82 0.00 0.00 55.36 52.41 1j4s s GLN 3 Cb -0.10 -2.08 -0.04 0.00 -1.09 0.00 0.00 33.01 29.70 1j4s s GLN 3 CO 0.42 0.18 -0.04 0.95 -1.32 0.00 0.00 175.29 175.48 1j4s s THR 4 N -2.44 0.64 -0.10 3.63 -4.23 -1.26 -5.11 115.64 106.78 1j4s s THR 4 Ca 0.35 -1.95 -0.30 0.00 -1.18 0.00 0.00 61.69 58.62 1j4s s THR 4 Cb -0.03 -1.83 -0.03 0.00 1.34 0.00 0.00 72.50 71.95 1j4s s THR 4 CO 0.21 -0.73 1.34 -0.63 -0.54 0.00 0.00 174.62 174.27 1j4s s ILE 5 N -3.66 4.07 -0.16 2.99 1.01 -1.03 -4.79 121.20 119.62 1j4s s ILE 5 Ca 0.16 1.34 -0.03 0.00 0.00 0.00 0.00 60.65 62.12 1j4s s ILE 5 Cb 0.06 -3.86 -0.03 0.00 0.01 0.00 0.00 42.46 38.64 1j4s s ILE 5 CO -0.02 -0.08 -0.04 -0.89 0.00 0.00 0.00 174.94 173.91 1j4s s THR 6 N 3.19 3.79 -0.00 2.92 2.01 -1.26 0.66 115.64 126.95 1j4s s THR 6 Ca 0.60 -0.39 0.08 0.00 0.31 0.00 0.00 61.69 62.28 1j4s s THR 6 Cb -0.26 -2.66 -0.02 0.00 0.01 0.00 0.00 72.50 69.57 1j4s s THR 6 CO 0.20 0.49 -0.25 -0.69 -0.69 0.00 0.00 174.62 173.68 1j4s s VAL 7 N 0.44 2.15 0.00 3.82 1.01 -0.55 -4.97 120.40 122.29 1j4s s VAL 7 Ca -0.04 -1.16 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1j4s s VAL 7 Cb -0.14 -1.77 0.00 0.00 0.00 0.00 0.00 36.38 34.46 1j4s s VAL 7 CO 0.03 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1j4s n GLY 8 N 2.24 -2.22 0.00 4.51 0.00 -1.26 -2.77 105.19 105.69 1j4s n GLY 8 Ca -0.16 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.02 1j4s n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j4s n SER 9 N 0.21 0.00 -4.58 1.61 2.88 -1.25 -4.95 113.62 107.54 1j4s n SER 9 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 1j4s n SER 9 Cb 0.00 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.42 1j4s n SER 9 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1j4s s TRP 10 N 0.00 3.00 -1.27 0.66 0.51 0.09 -4.81 118.94 117.12 1j4s s TRP 10 Ca 0.00 0.49 0.00 0.00 -2.12 0.00 0.00 56.10 54.47 1j4s s TRP 10 Cb 0.00 -3.78 0.00 0.00 -0.81 0.00 0.00 33.47 28.88 1j4s s TRP 10 CO 0.00 -0.96 0.00 0.41 -0.51 0.00 0.00 176.95 175.89 1j4s n GLY 11 N 4.73 -0.71 3.63 0.98 0.00 -1.26 -1.57 105.19 110.99 1j4s n GLY 11 Ca 0.06 -0.35 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 1j4s n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4s s GLY 12 N 0.00 2.70 0.00 -0.02 0.00 -0.79 -4.82 107.32 104.39 1j4s s GLY 12 Ca 0.00 -1.15 0.30 0.00 0.00 0.00 0.00 44.72 43.88 1j4s s GLY 12 CO 0.00 -2.03 2.02 -1.55 0.00 0.00 0.00 173.10 171.54 1j4s n PRO 13 N -1.04 1.09 -1.14 2.90 -0.04 -1.26 -4.60 135.00 130.92 1j4s n PRO 13 Ca -0.11 -0.31 -0.30 0.00 -0.04 0.00 0.00 63.50 62.74 1j4s n PRO 13 Cb 0.66 -1.49 0.13 0.00 -0.04 0.00 0.00 33.50 32.76 1j4s n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1j4s s GLY 14 N -2.12 1.64 0.00 0.55 0.00 -1.26 -4.90 107.32 101.22 1j4s s GLY 14 Ca 0.41 0.10 0.00 0.00 0.00 0.00 0.00 44.72 45.23 1j4s s GLY 14 CO 0.39 0.55 0.00 0.61 0.00 0.00 0.00 173.10 174.65 1j4s n GLY 15 N -0.93 -1.64 3.29 0.20 0.00 -1.26 -4.75 105.19 100.11 1j4s n GLY 15 Ca 0.08 -1.34 -0.37 0.00 0.00 0.00 0.00 46.02 44.39 1j4s n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4s s ASN 16 N -4.00 5.18 0.29 1.61 0.02 0.25 -4.93 114.94 113.35 1j4s s ASN 16 Ca 0.00 -0.97 -0.30 0.00 -1.02 0.00 0.00 52.86 50.58 1j4s s ASN 16 Cb 0.00 -1.86 -0.11 0.00 0.02 0.00 0.00 41.25 39.30 1j4s s ASN 16 CO 0.00 -0.26 1.55 -0.83 0.02 0.00 0.00 177.10 177.58 1j4s s GLY 17 N 1.43 2.20 0.16 0.66 0.00 -1.26 -3.23 107.32 107.29 1j4s s GLY 17 Ca -0.00 1.51 0.06 0.00 0.00 0.00 0.00 44.72 46.28 1j4s s GLY 17 CO 0.02 2.47 -0.12 0.66 0.00 0.00 0.00 173.10 176.14 1j4s s TRP 18 N -0.05 1.41 -0.23 1.90 -2.14 0.10 -4.95 118.94 114.97 1j4s s TRP 18 Ca 0.62 -0.70 -0.03 0.00 2.66 0.00 0.00 56.10 58.65 1j4s s TRP 18 Cb -0.46 -0.69 0.12 0.00 -3.10 0.00 0.00 33.47 29.33 1j4s s TRP 18 CO 0.47 0.17 0.30 0.34 -2.66 0.00 0.00 176.95 175.58 1j4s s ASP 19 N -3.21 0.90 0.36 -2.66 2.15 -1.26 -0.05 116.67 112.89 1j4s s ASP 19 Ca 0.18 -0.10 0.13 0.00 0.43 0.00 0.00 52.55 53.19 1j4s s ASP 19 Cb 0.01 0.73 0.67 0.00 -0.30 0.00 0.00 42.92 44.03 1j4s s ASP 19 CO 0.03 -0.32 1.79 -0.33 -0.17 0.00 0.00 175.17 176.16 1j4s h GLU 20 N 8.25 0.00 0.00 4.34 5.08 -1.88 -3.50 114.58 126.87 1j4s h GLU 20 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1j4s h GLU 20 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 1j4s h GLU 20 CO 0.28 0.41 0.00 0.41 -1.00 0.00 0.00 179.01 179.12 1j4s n GLY 21 N -0.30 -1.58 3.75 -3.84 0.00 -1.26 -4.99 105.19 96.97 1j4s n GLY 21 Ca -0.02 -2.13 -0.28 0.00 0.00 0.00 0.00 46.02 43.60 1j4s n GLY 21 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4s s SER 22 N -3.23 5.28 0.00 1.61 0.01 -1.26 -4.29 113.70 111.83 1j4s s SER 22 Ca 0.00 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.09 1j4s s SER 22 Cb 0.00 -1.32 0.00 0.00 0.21 0.00 0.00 66.02 64.91 1j4s s SER 22 CO 0.00 0.11 0.00 -1.22 0.41 0.00 0.00 173.24 172.54 1j4s n TYR 23 N -0.03 0.00 0.24 2.43 4.02 -0.46 -5.00 117.16 118.36 1j4s n TYR 23 Ca -0.09 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.90 1j4s n TYR 23 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.71 1j4s n TYR 23 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 176.86 178.26 1j4s n THR 24 N 0.00 0.00 0.00 -0.72 -1.04 -0.53 -4.92 114.28 107.07 1j4s n THR 24 Ca 0.00 -0.35 0.00 0.00 -2.04 0.00 0.00 64.05 61.66 1j4s n THR 24 Cb 0.00 0.29 0.00 0.00 -1.82 0.00 0.00 70.33 68.80 1j4s n THR 24 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1j4s n GLY 25 N 1.38 1.24 3.52 3.41 0.00 -1.19 -4.93 105.19 108.61 1j4s n GLY 25 Ca -0.02 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 1j4s n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4s s ILE 26 N -2.00 4.88 -0.25 -0.61 1.09 -1.26 0.01 121.20 123.05 1j4s s ILE 26 Ca 0.00 -0.06 0.03 0.00 -1.10 0.00 0.00 60.65 59.52 1j4s s ILE 26 Cb 0.00 -3.35 -0.17 0.00 -1.06 0.00 0.00 42.46 37.87 1j4s s ILE 26 CO 0.00 0.23 -0.20 0.54 -0.10 0.00 0.00 174.94 175.41 1j4s n ARG 27 N 5.01 0.65 -3.71 2.79 1.74 -0.95 -4.72 116.66 117.46 1j4s n ARG 27 Ca -0.15 0.14 -0.14 0.00 -0.77 0.00 0.00 57.85 56.93 1j4s n ARG 27 Cb 0.51 -1.51 -0.08 0.00 -1.02 0.00 0.00 32.46 30.36 1j4s n ARG 27 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 1j4s s GLN 28 N -2.51 0.73 0.12 5.56 0.74 -0.91 -2.44 119.66 120.96 1j4s s GLN 28 Ca -0.33 -0.07 0.09 0.00 0.05 0.00 0.00 55.36 55.10 1j4s s GLN 28 Cb 0.09 0.33 -0.04 0.00 1.10 0.00 0.00 33.01 34.49 1j4s s GLN 28 CO 0.61 -0.21 -0.23 0.42 -0.55 0.00 0.00 175.29 175.34 1j4s s ILE 29 N -1.23 1.94 -0.22 -2.34 1.01 -0.74 -2.29 121.20 117.32 1j4s s ILE 29 Ca -0.12 -1.68 -0.04 0.00 0.00 0.00 0.00 60.65 58.81 1j4s s ILE 29 Cb -0.04 -1.76 0.11 0.00 0.01 0.00 0.00 42.46 40.77 1j4s s ILE 29 CO 0.05 -0.05 0.27 -0.70 0.00 0.00 0.00 174.94 174.52 1j4s s GLU 30 N -2.10 0.24 0.41 2.79 2.12 -0.56 -0.22 118.70 121.38 1j4s s GLU 30 Ca 0.11 0.31 0.03 0.00 0.36 0.00 0.00 54.97 55.78 1j4s s GLU 30 Cb -0.09 -0.98 -0.04 0.00 0.26 0.00 0.00 34.13 33.29 1j4s s GLU 30 CO 0.05 -0.65 0.08 -0.48 -0.54 0.00 0.00 175.26 173.72 1j4s s LEU 31 N 2.40 2.14 0.17 2.70 0.05 -1.23 -1.64 118.68 123.27 1j4s s LEU 31 Ca 0.09 -1.58 0.03 0.00 0.05 0.00 0.00 54.13 52.72 1j4s s LEU 31 Cb -0.16 -0.34 -0.05 0.00 -2.05 0.00 0.00 46.19 43.60 1j4s s LEU 31 CO -0.13 -0.81 -0.03 -0.94 -0.55 0.00 0.00 176.35 173.88 1j4s s SER 32 N -3.63 1.44 -0.09 1.48 1.04 -1.15 -2.10 113.70 110.69 1j4s s SER 32 Ca 0.24 -1.12 -0.32 0.00 0.48 0.00 0.00 55.95 55.23 1j4s s SER 32 Cb 0.04 0.07 0.12 0.00 0.10 0.00 0.00 66.02 66.35 1j4s s SER 32 CO 0.13 -0.49 1.20 -0.72 0.98 0.00 0.00 173.24 174.34 1j4s s TYR 33 N -3.53 -0.11 0.00 5.02 -0.85 -0.86 -0.96 117.35 116.06 1j4s s TYR 33 Ca 0.21 0.02 0.00 0.00 -0.52 0.00 0.00 57.07 56.78 1j4s s TYR 33 Cb 0.05 0.54 0.00 0.00 0.38 0.00 0.00 41.96 42.93 1j4s s TYR 33 CO 0.03 -0.30 0.00 1.17 -1.52 0.00 0.00 175.55 174.93 1j4s n LYS 34 N -0.27 0.00 -0.00 -3.49 4.81 -1.26 -0.77 118.16 117.18 1j4s n LYS 34 Ca -0.04 0.00 0.08 0.00 -0.87 0.00 0.00 58.31 57.48 1j4s n LYS 34 Cb 0.60 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.54 1j4s n LYS 34 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1j4s n GLU 35 N -1.31 1.12 -4.07 1.64 4.71 -1.26 -4.05 120.64 117.42 1j4s n GLU 35 Ca 0.00 -0.06 -0.10 0.00 -0.01 0.00 0.00 57.16 56.98 1j4s n GLU 35 Cb 0.00 -1.33 -0.08 0.00 -1.01 0.00 0.00 31.44 29.02 1j4s n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4s s ALA 36 N -2.82 0.41 -0.17 0.62 0.00 -1.25 -2.78 121.76 115.77 1j4s s ALA 36 Ca 0.01 -1.21 -0.26 0.00 0.00 0.00 0.00 51.96 50.50 1j4s s ALA 36 Cb 0.12 1.08 -0.01 0.00 0.00 0.00 0.00 23.12 24.31 1j4s s ALA 36 CO 0.69 -0.67 0.85 0.42 0.00 0.00 0.00 175.76 177.05 1j4s s ILE 37 N -4.05 4.87 0.00 0.00 -1.09 -0.87 -4.35 121.20 115.70 1j4s s ILE 37 Ca 0.26 1.67 0.00 0.00 -2.23 0.00 0.00 60.65 60.35 1j4s s ILE 37 Cb 0.04 -4.15 0.00 0.00 -1.58 0.00 0.00 42.46 36.77 1j4s s ILE 37 CO 0.06 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.40 1j4s n GLY 38 N 3.44 0.28 3.88 6.18 0.00 -0.13 -0.13 105.19 118.71 1j4s n GLY 38 Ca 0.05 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 1j4s n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4s s SER 39 N -1.52 6.31 -0.28 1.61 0.01 -1.24 -3.15 113.70 115.44 1j4s s SER 39 Ca 0.00 1.22 0.00 0.00 1.31 0.00 0.00 55.95 58.48 1j4s s SER 39 Cb 0.00 -2.38 0.17 0.00 0.21 0.00 0.00 66.02 64.02 1j4s s SER 39 CO 0.00 -0.68 0.49 0.12 0.41 0.00 0.00 173.24 173.58 1j4s s PHE 40 N -2.88 -1.29 -0.01 2.43 2.19 -0.71 -2.93 117.98 114.78 1j4s s PHE 40 Ca 0.52 1.10 0.02 0.00 0.33 0.00 0.00 56.93 58.90 1j4s s PHE 40 Cb -0.11 0.23 0.00 0.00 -1.31 0.00 0.00 43.02 41.83 1j4s s PHE 40 CO 0.46 -0.88 -0.07 -1.54 1.83 0.00 0.00 175.22 175.02 1j4s s SER 41 N 2.70 0.89 0.00 6.13 1.04 -0.65 -3.00 113.70 120.81 1j4s s SER 41 Ca 0.15 -0.13 0.06 0.00 0.48 0.00 0.00 55.95 56.50 1j4s s SER 41 Cb -0.14 -0.18 -0.02 0.00 0.10 0.00 0.00 66.02 65.78 1j4s s SER 41 CO -0.22 0.06 -0.19 0.54 0.98 0.00 0.00 173.24 174.41 1j4s s VAL 42 N 0.08 1.51 -0.63 5.02 0.11 -1.26 -1.50 120.40 123.73 1j4s s VAL 42 Ca -0.01 -0.90 -0.16 0.00 -2.93 0.00 0.00 61.98 57.98 1j4s s VAL 42 Cb -0.06 -1.28 0.15 0.00 -1.53 0.00 0.00 36.38 33.66 1j4s s VAL 42 CO -0.00 0.36 0.63 -0.63 -3.33 0.00 0.00 175.10 172.12 1j4s s ILE 43 N -0.54 5.21 0.99 7.04 -1.09 -0.97 -1.55 121.20 130.29 1j4s s ILE 43 Ca 0.07 -1.63 -0.14 0.00 -2.23 0.00 0.00 60.65 56.72 1j4s s ILE 43 Cb -0.08 -4.42 0.19 0.00 -1.58 0.00 0.00 42.46 36.57 1j4s s ILE 43 CO -0.00 -0.99 1.16 -0.31 -1.23 0.00 0.00 174.94 173.58 1j4s s TYR 44 N 1.53 1.87 -0.12 3.97 2.02 0.46 -2.13 117.35 124.95 1j4s s TYR 44 Ca 0.09 0.68 -0.01 0.00 -0.37 0.00 0.00 57.07 57.46 1j4s s TYR 44 Cb -0.23 -3.54 -0.03 0.00 -0.40 0.00 0.00 41.96 37.77 1j4s s TYR 44 CO 0.00 -2.78 -0.07 0.34 -1.57 0.00 0.00 175.55 171.47 1j4s s ASP 45 N -4.13 4.55 -0.32 2.29 2.15 0.10 -1.43 116.67 119.88 1j4s s ASP 45 Ca 0.67 -0.14 0.02 0.00 0.43 0.00 0.00 52.55 53.53 1j4s s ASP 45 Cb -0.12 -1.51 0.10 0.00 -0.30 0.00 0.00 42.92 41.09 1j4s s ASP 45 CO 0.54 0.24 0.06 -0.22 -0.17 0.00 0.00 175.17 175.62 1j4s s LEU 46 N -0.06 3.68 -1.72 -1.34 2.96 0.05 -1.46 118.68 120.78 1j4s s LEU 46 Ca 0.00 -1.89 0.00 0.00 -0.22 0.00 0.00 54.13 52.02 1j4s s LEU 46 Cb -0.13 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.24 1j4s s LEU 46 CO 0.03 -0.38 0.00 0.59 -1.32 0.00 0.00 176.35 175.27 1j4s n ASN 47 N 4.50 -5.46 0.00 3.68 4.13 -1.26 -2.53 115.26 118.33 1j4s n ASN 47 Ca 0.01 0.40 0.00 0.00 1.68 0.00 0.00 54.58 56.67 1j4s n ASN 47 Cb 0.42 -4.39 0.00 0.00 -1.54 0.00 0.00 39.78 34.28 1j4s n ASN 47 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1j4s n GLY 48 N -0.32 0.79 3.63 7.41 0.00 -1.26 -5.09 105.19 110.35 1j4s n GLY 48 Ca -0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.59 1j4s n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4s s ASP 49 N -0.92 4.56 0.55 1.61 1.11 -1.05 -5.10 116.67 117.43 1j4s s ASP 49 Ca 0.00 -0.48 -0.19 0.00 0.18 0.00 0.00 52.55 52.06 1j4s s ASP 49 Cb 0.00 -0.90 -0.05 0.00 1.07 0.00 0.00 42.92 43.04 1j4s s ASP 49 CO 0.00 0.09 1.15 -2.84 1.18 0.00 0.00 175.17 174.75 1j4s s PRO 50 N -2.95 3.29 -0.07 8.23 0.02 -1.26 -0.77 135.00 141.49 1j4s s PRO 50 Ca 0.27 1.66 -0.03 0.00 0.02 0.00 0.00 61.00 62.92 1j4s s PRO 50 Cb -0.09 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.47 1j4s s PRO 50 CO 0.17 -0.91 0.06 0.12 -0.33 0.00 0.00 177.00 176.12 1j4s s PHE 51 N -1.73 0.12 -0.12 6.54 2.19 -0.51 -4.74 117.98 119.73 1j4s s PHE 51 Ca 0.74 0.11 -0.30 0.00 0.33 0.00 0.00 56.93 57.81 1j4s s PHE 51 Cb -0.25 -0.54 -0.02 0.00 -1.31 0.00 0.00 43.02 40.90 1j4s s PHE 51 CO 0.28 -0.27 1.14 -1.12 1.83 0.00 0.00 175.22 177.09 1j4s s SER 52 N 2.15 7.08 0.85 6.13 0.01 -1.26 -0.40 113.70 128.26 1j4s s SER 52 Ca 0.04 1.66 -0.12 0.00 1.31 0.00 0.00 55.95 58.84 1j4s s SER 52 Cb -0.13 -2.55 0.10 0.00 0.21 0.00 0.00 66.02 63.65 1j4s s SER 52 CO -0.04 -0.60 1.17 -0.83 0.41 0.00 0.00 173.24 173.34 1j4s s GLY 53 N 1.45 1.59 0.62 3.44 0.00 -0.59 -4.91 107.32 108.91 1j4s s GLY 53 Ca 0.52 -0.61 -0.19 0.00 0.00 0.00 0.00 44.72 44.44 1j4s s GLY 53 CO 0.17 -0.09 1.23 -1.05 0.00 0.00 0.00 173.10 173.37 1j4s n PRO 54 N -3.49 1.16 -3.17 2.90 -0.02 -1.26 -4.63 135.00 126.49 1j4s n PRO 54 Ca 0.08 0.45 -0.39 0.00 -2.02 0.00 0.00 63.50 61.61 1j4s n PRO 54 Cb 0.60 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.57 1j4s n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4s s LYS 55 N -3.16 4.36 -0.68 -0.52 -0.14 -1.26 -4.53 119.74 113.81 1j4s s LYS 55 Ca 0.80 0.73 0.03 0.00 -1.36 0.00 0.00 55.97 56.16 1j4s s LYS 55 Cb -0.39 -3.39 0.17 0.00 -1.68 0.00 0.00 37.83 32.53 1j4s s LYS 55 CO 0.43 0.23 0.47 -1.01 -0.76 0.00 0.00 175.35 174.71 1j4s s HIS 56 N 0.27 3.50 0.55 3.18 3.76 -1.16 -5.02 115.29 120.36 1j4s s HIS 56 Ca 0.32 -3.17 -0.05 0.00 -0.15 0.00 0.00 55.06 52.01 1j4s s HIS 56 Cb -0.17 -2.89 -0.00 0.00 1.11 0.00 0.00 32.58 30.62 1j4s s HIS 56 CO 0.16 -0.67 0.85 -0.08 -0.85 0.00 0.00 174.74 174.16 1j4s s THR 57 N -0.96 4.01 -0.02 1.30 -1.32 -1.26 -1.74 115.64 115.65 1j4s s THR 57 Ca 0.22 0.01 0.01 0.00 -1.21 0.00 0.00 61.69 60.72 1j4s s THR 57 Cb -0.13 -3.56 0.02 0.00 -1.51 0.00 0.00 72.50 67.32 1j4s s THR 57 CO -0.10 -0.56 -0.01 -0.55 -2.21 0.00 0.00 174.62 171.20 1j4s s SER 58 N -4.25 0.34 0.54 8.08 0.15 -1.26 -4.84 113.70 112.45 1j4s s SER 58 Ca 0.52 -0.03 0.30 0.00 0.70 0.00 0.00 55.95 57.44 1j4s s SER 58 Cb -0.10 -0.13 1.51 0.00 -1.71 0.00 0.00 66.02 65.58 1j4s s SER 58 CO 0.44 -0.05 2.07 0.11 1.20 0.00 0.00 173.24 177.02 1j4s h LYS 59 N 6.77 0.00 -6.25 5.44 1.57 -1.93 -3.44 116.57 118.74 1j4s h LYS 59 Ca -0.36 0.00 -0.55 0.00 -1.87 0.00 0.00 60.65 57.86 1j4s h LYS 59 Cb 1.16 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.48 1j4s h LYS 59 CO 0.49 0.10 1.30 1.28 -0.57 0.00 0.00 179.45 182.05 1j4s n LEU 60 N -3.48 3.86 -4.41 2.94 7.99 -1.26 -4.82 117.00 117.81 1j4s n LEU 60 Ca -0.01 0.70 -0.10 0.00 -0.01 0.00 0.00 56.01 56.59 1j4s n LEU 60 Cb 0.24 -1.52 -0.09 0.00 -0.11 0.00 0.00 43.42 41.95 1j4s n LEU 60 CO 0.29 -0.07 1.07 -2.65 -1.51 0.00 0.00 177.39 174.52 1j4s n PRO 61 N 7.84 0.08 -3.51 3.23 -0.02 -1.26 -4.90 135.00 136.45 1j4s n PRO 61 Ca 0.23 -1.15 -0.22 0.00 -2.02 0.00 0.00 63.50 60.34 1j4s n PRO 61 Cb 0.41 -3.05 -0.01 0.00 -0.02 0.00 0.00 33.50 30.83 1j4s n PRO 61 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j4s s TYR 62 N 12.11 2.28 0.79 6.00 2.02 -1.26 -5.00 117.35 134.30 1j4s s TYR 62 Ca 0.60 -0.60 -0.11 0.00 -0.37 0.00 0.00 57.07 56.59 1j4s s TYR 62 Cb -0.05 -2.14 0.07 0.00 -0.40 0.00 0.00 41.96 39.44 1j4s s TYR 62 CO 0.14 -0.38 1.11 -1.59 -1.57 0.00 0.00 175.55 173.26 1j4s s LYS 63 N -4.26 2.05 -0.22 -0.62 0.00 0.05 -4.67 119.74 112.07 1j4s s LYS 63 Ca 0.48 1.28 -0.01 0.00 0.00 0.00 0.00 55.97 57.72 1j4s s LYS 63 Cb -0.04 -1.87 0.06 0.00 0.00 0.00 0.00 37.83 35.99 1j4s s LYS 63 CO 0.28 -1.82 -0.00 1.21 0.00 0.00 0.00 175.35 175.03 1j4s s ASN 64 N -3.15 3.48 0.36 0.03 2.47 -1.26 -2.02 114.94 114.85 1j4s s ASN 64 Ca 0.63 -1.08 0.02 0.00 0.42 0.00 0.00 52.86 52.85 1j4s s ASN 64 Cb -0.19 -0.91 -0.02 0.00 -1.45 0.00 0.00 41.25 38.68 1j4s s ASN 64 CO 0.55 -0.28 0.54 -0.69 -3.72 0.00 0.00 177.10 173.50 1j4s s VAL 65 N 1.60 4.69 -0.25 -5.21 1.01 -0.89 -4.99 120.40 116.36 1j4s s VAL 65 Ca -0.02 -0.62 -0.03 0.00 0.00 0.00 0.00 61.98 61.31 1j4s s VAL 65 Cb -0.18 -3.70 0.08 0.00 0.00 0.00 0.00 36.38 32.58 1j4s s VAL 65 CO -0.08 -0.41 0.08 -0.75 0.00 0.00 0.00 175.10 173.94 1j4s s LYS 66 N -4.31 0.47 -0.57 2.72 2.20 -1.26 -3.48 119.74 115.50 1j4s s LYS 66 Ca 0.42 -0.58 -0.19 0.00 -0.36 0.00 0.00 55.97 55.26 1j4s s LYS 66 Cb -0.10 -1.80 0.09 0.00 -1.51 0.00 0.00 37.83 34.52 1j4s s LYS 66 CO 0.35 -0.83 0.70 0.42 -0.36 0.00 0.00 175.35 175.63 1j4s s ILE 67 N 1.90 4.79 -0.29 5.43 1.01 0.70 -4.97 121.20 129.76 1j4s s ILE 67 Ca 0.05 -0.78 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1j4s s ILE 67 Cb -0.17 -4.45 0.01 0.00 0.01 0.00 0.00 42.46 37.86 1j4s s ILE 67 CO -0.20 -1.06 0.06 -1.83 0.00 0.00 0.00 174.94 171.91 1j4s s GLU 68 N 2.79 3.04 0.48 2.79 -1.05 -1.26 -1.80 118.70 123.69 1j4s s GLU 68 Ca 0.14 -0.88 -0.11 0.00 -0.15 0.00 0.00 54.97 53.96 1j4s s GLU 68 Cb -0.22 -3.32 -0.06 0.00 -0.44 0.00 0.00 34.13 30.09 1j4s s GLU 68 CO 0.08 -0.44 0.86 -0.51 0.95 0.00 0.00 175.26 176.20 1j4s s LEU 69 N 1.47 3.64 -1.19 1.83 2.01 -1.02 -4.97 118.68 120.45 1j4s s LEU 69 Ca 0.02 1.23 -0.11 0.00 0.01 0.00 0.00 54.13 55.28 1j4s s LEU 69 Cb -0.17 -4.17 0.21 0.00 0.01 0.00 0.00 46.19 42.08 1j4s s LEU 69 CO 0.01 -0.56 1.46 2.29 1.01 0.00 0.00 176.35 180.56 1j4s n LYS 70 N -1.82 3.60 0.00 1.70 2.85 -1.26 -4.87 118.16 118.35 1j4s n LYS 70 Ca 0.03 -4.01 0.00 0.00 -1.05 0.00 0.00 58.31 53.28 1j4s n LYS 70 Cb 0.54 -2.84 0.00 0.00 -0.65 0.00 0.00 35.03 32.09 1j4s n LYS 70 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 177.40 177.69 1j4s n PHE 71 N 4.05 0.00 -0.11 5.58 7.35 -1.25 -0.68 117.46 132.40 1j4s n PHE 71 Ca 0.33 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.83 1j4s n PHE 71 Cb 0.39 -0.14 -0.10 0.00 0.35 0.00 0.00 39.48 39.99 1j4s n PHE 71 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1j4s n PRO 72 N -1.70 0.53 0.17 -7.13 -0.02 -1.26 -4.53 135.00 121.06 1j4s n PRO 72 Ca 0.00 0.16 0.13 0.00 -2.02 0.00 0.00 63.50 61.77 1j4s n PRO 72 Cb 0.00 -1.41 0.32 0.00 -0.02 0.00 0.00 33.50 32.40 1j4s n PRO 72 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1j4s h ASP 73 N -0.32 0.00 -3.51 2.55 5.19 -1.93 -3.42 116.42 114.99 1j4s h ASP 73 Ca -0.54 0.00 -0.54 0.00 -0.62 0.00 0.00 57.03 55.33 1j4s h ASP 73 Cb 1.68 0.00 -0.33 0.00 0.18 0.00 0.00 39.33 40.86 1j4s h ASP 73 CO -0.19 0.00 -0.83 -0.70 -3.12 0.00 0.00 179.24 174.41 1j4s s GLU 74 N -3.19 1.88 0.07 3.56 2.12 0.15 -4.77 118.70 118.51 1j4s s GLU 74 Ca 0.08 -0.51 -0.06 0.00 0.36 0.00 0.00 54.97 54.84 1j4s s GLU 74 Cb 0.09 -1.54 -0.01 0.00 0.26 0.00 0.00 34.13 32.93 1j4s s GLU 74 CO 0.61 0.09 0.12 -0.59 -0.54 0.00 0.00 175.26 174.96 1j4s s PHE 75 N 0.49 0.25 0.48 5.30 -0.71 -1.26 -3.78 117.98 118.76 1j4s s PHE 75 Ca -0.13 -0.69 -0.24 0.00 -1.04 0.00 0.00 56.93 54.83 1j4s s PHE 75 Cb -0.15 -0.16 -0.07 0.00 -1.21 0.00 0.00 43.02 41.43 1j4s s PHE 75 CO 0.04 -0.48 1.41 -0.51 -1.34 0.00 0.00 175.22 174.35 1j4s s LEU 76 N -2.76 4.02 0.00 -1.99 2.01 -1.26 -2.45 118.68 116.25 1j4s s LEU 76 Ca 0.04 2.89 0.00 0.00 0.01 0.00 0.00 54.13 57.07 1j4s s LEU 76 Cb 0.05 -4.04 0.00 0.00 0.01 0.00 0.00 46.19 42.20 1j4s s LEU 76 CO -0.10 -1.33 0.13 1.21 1.01 0.00 0.00 176.35 177.27 1j4s n GLU 77 N -0.48 4.81 -3.64 1.70 2.13 -0.54 -4.74 120.64 119.88 1j4s n GLU 77 Ca 0.07 -0.13 -0.04 0.00 0.66 0.00 0.00 57.16 57.71 1j4s n GLU 77 Cb 0.43 -0.62 -0.06 0.00 0.27 0.00 0.00 31.44 31.45 1j4s n GLU 77 CO 0.00 0.00 0.00 -1.54 -0.41 0.00 0.00 177.13 175.18 1j4s s SER 78 N -0.72 -0.14 -0.03 4.31 1.04 -1.23 -1.62 113.70 115.30 1j4s s SER 78 Ca 0.00 0.23 0.04 0.00 0.48 0.00 0.00 55.95 56.70 1j4s s SER 78 Cb 0.00 0.22 -0.00 0.00 0.10 0.00 0.00 66.02 66.34 1j4s s SER 78 CO 0.00 -0.08 -0.13 -0.69 0.98 0.00 0.00 173.24 173.32 1j4s s VAL 79 N -0.39 1.11 0.14 5.02 1.01 0.31 -2.80 120.40 124.80 1j4s s VAL 79 Ca 0.06 -0.55 -0.04 0.00 0.00 0.00 0.00 61.98 61.45 1j4s s VAL 79 Cb -0.03 -0.96 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1j4s s VAL 79 CO -0.10 0.33 0.14 -0.94 0.00 0.00 0.00 175.10 174.53 1j4s s SER 80 N 0.05 0.21 0.00 3.32 1.04 -1.07 -0.11 113.70 117.15 1j4s s SER 80 Ca -0.02 -1.08 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1j4s s SER 80 Cb -0.09 0.34 0.00 0.00 0.10 0.00 0.00 66.02 66.37 1j4s s SER 80 CO 0.01 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.06 1j4s n GLY 81 N -0.13 0.00 1.73 7.32 0.00 -1.12 -1.93 105.19 111.06 1j4s n GLY 81 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 1j4s n GLY 81 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1j4s n TYR 82 N 0.00 -0.98 -4.05 1.61 4.01 -1.23 -2.46 117.16 114.07 1j4s n TYR 82 Ca 0.00 0.59 -0.33 0.00 -0.16 0.00 0.00 57.90 57.99 1j4s n TYR 82 Cb 0.00 -1.23 -0.15 0.00 -0.31 0.00 0.00 39.34 37.65 1j4s n TYR 82 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1j4s s THR 83 N -0.11 2.43 0.22 -0.72 2.01 0.23 -0.54 115.64 119.17 1j4s s THR 83 Ca 0.00 -1.05 -0.18 0.00 0.31 0.00 0.00 61.69 60.78 1j4s s THR 83 Cb 0.00 -2.17 0.02 0.00 0.01 0.00 0.00 72.50 70.36 1j4s s THR 83 CO 0.00 0.33 0.56 -0.83 -0.69 0.00 0.00 174.62 173.99 1j4s s GLY 84 N 1.28 0.01 1.19 4.40 0.00 -0.81 -0.74 107.32 112.65 1j4s s GLY 84 Ca 0.01 -0.34 -0.18 0.00 0.00 0.00 0.00 44.72 44.21 1j4s s GLY 84 CO -0.08 -0.28 1.09 -4.14 0.00 0.00 0.00 173.10 169.69 1j4s s PRO 85 N -3.91 -1.10 -0.33 2.90 0.02 -1.26 0.63 135.00 131.95 1j4s s PRO 85 Ca 0.12 0.05 -0.01 0.00 0.02 0.00 0.00 61.00 61.18 1j4s s PRO 85 Cb -0.02 -1.60 0.12 0.00 0.02 0.00 0.00 34.50 33.02 1j4s s PRO 85 CO 0.01 -3.65 0.18 0.12 -0.33 0.00 0.00 177.00 173.33 1j4s s PHE 86 N -2.94 0.65 -0.46 6.54 5.36 -1.26 -4.76 117.98 121.11 1j4s s PHE 86 Ca 0.70 -1.38 -0.29 0.00 -0.96 0.00 0.00 56.93 55.00 1j4s s PHE 86 Cb -0.12 -0.97 0.01 0.00 -0.34 0.00 0.00 43.02 41.61 1j4s s PHE 86 CO 0.57 -0.83 1.36 -1.12 -1.46 0.00 0.00 175.22 173.74 1j4s s SER 87 N 1.44 6.33 0.00 6.13 0.01 -1.26 -3.05 113.70 123.30 1j4s s SER 87 Ca 0.14 0.62 0.00 0.00 1.31 0.00 0.00 55.95 58.03 1j4s s SER 87 Cb -0.20 -2.54 0.00 0.00 0.21 0.00 0.00 66.02 63.48 1j4s s SER 87 CO -0.14 -1.47 0.00 0.00 0.41 0.00 0.00 173.24 172.04 1j4s n ALA 88 N 8.84 0.00 1.62 1.44 0.00 -1.26 -4.80 120.51 126.35 1j4s n ALA 88 Ca 0.15 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.65 1j4s n ALA 88 Cb 0.48 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.25 1j4s n ALA 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1j4s n LEU 89 N 0.00 0.73 -3.76 0.00 -0.00 -1.17 -4.85 117.00 107.94 1j4s n LEU 89 Ca 0.00 -0.33 -0.29 0.00 -0.00 0.00 0.00 56.01 55.39 1j4s n LEU 89 Cb 0.00 -0.06 0.01 0.00 -0.00 0.00 0.00 43.42 43.37 1j4s n LEU 89 CO 0.00 0.16 0.04 0.00 -0.00 0.00 0.00 177.39 177.60 1j4s n ALA 90 N -0.23 -1.19 -2.88 1.47 0.00 -1.25 -4.95 120.51 111.49 1j4s n ALA 90 Ca 0.11 0.14 -0.34 0.00 0.00 0.00 0.00 53.44 53.35 1j4s n ALA 90 Cb 0.15 -3.86 -0.11 0.00 0.00 0.00 0.00 19.45 15.64 1j4s n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4s s THR 91 N -3.19 4.39 0.04 0.00 -1.32 -1.23 -4.99 115.64 109.33 1j4s s THR 91 Ca 0.59 -0.18 -0.18 0.00 -1.21 0.00 0.00 61.69 60.71 1j4s s THR 91 Cb -0.30 -2.95 -0.18 0.00 -1.51 0.00 0.00 72.50 67.55 1j4s s THR 91 CO 0.73 0.48 1.22 -0.65 -2.21 0.00 0.00 174.62 174.19 1j4s h PRO 92 N 6.64 0.53 -6.88 7.08 0.11 -1.92 -3.38 132.00 134.17 1j4s h PRO 92 Ca -0.35 -0.44 -0.52 0.00 0.11 0.00 0.00 66.00 64.81 1j4s h PRO 92 Cb 1.18 0.09 0.06 0.00 0.11 0.00 0.00 31.00 32.44 1j4s h PRO 92 CO 0.67 1.07 0.59 -0.08 -0.21 0.00 0.00 178.00 180.03 1j4s s THR 93 N -3.65 2.90 0.40 -1.15 -1.32 -1.26 -4.79 115.64 106.76 1j4s s THR 93 Ca -0.13 0.87 -0.26 0.00 -1.21 0.00 0.00 61.69 60.96 1j4s s THR 93 Cb 0.06 -3.54 -0.10 0.00 -1.51 0.00 0.00 72.50 67.40 1j4s s THR 93 CO 0.83 0.18 1.31 -2.65 -2.21 0.00 0.00 174.62 172.09 1j4s n PRO 94 N 0.69 2.09 -4.47 7.08 -0.02 -1.26 -4.33 135.00 134.78 1j4s n PRO 94 Ca 0.01 0.74 -0.22 0.00 -2.02 0.00 0.00 63.50 62.01 1j4s n PRO 94 Cb 0.43 -2.42 -0.11 0.00 -0.02 0.00 0.00 33.50 31.38 1j4s n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j4s s VAL 95 N -1.16 1.31 -0.92 -1.45 1.01 0.21 -2.28 120.40 117.11 1j4s s VAL 95 Ca 0.59 -2.01 -0.19 0.00 0.00 0.00 0.00 61.98 60.37 1j4s s VAL 95 Cb -0.52 -2.80 0.13 0.00 0.00 0.00 0.00 36.38 33.20 1j4s s VAL 95 CO 0.60 -0.02 1.12 0.68 0.00 0.00 0.00 175.10 177.48 1j4s s VAL 96 N -3.21 4.73 0.15 2.92 -7.23 -1.00 -1.93 120.40 114.83 1j4s s VAL 96 Ca 0.36 -1.56 -0.17 0.00 -1.81 0.00 0.00 61.98 58.80 1j4s s VAL 96 Cb 0.09 -4.78 0.00 0.00 0.56 0.00 0.00 36.38 32.25 1j4s s VAL 96 CO 0.16 -1.50 1.79 0.03 -0.31 0.00 0.00 175.10 175.26 1j4s h ARG 97 N 8.84 0.40 -5.20 4.82 2.47 -1.04 -2.32 114.38 122.36 1j4s h ARG 97 Ca 0.15 -0.02 -0.67 0.00 -1.26 0.00 0.00 59.98 58.18 1j4s h ARG 97 Cb 1.03 -0.09 -0.13 0.00 -1.65 0.00 0.00 29.97 29.13 1j4s h ARG 97 CO 1.11 0.26 -0.52 0.45 0.56 0.00 0.00 179.97 181.83 1j4s s SER 98 N -5.46 3.99 -0.30 7.04 0.15 -0.83 -3.08 113.70 115.21 1j4s s SER 98 Ca -0.13 -1.65 -0.18 0.00 0.70 0.00 0.00 55.95 54.69 1j4s s SER 98 Cb 0.11 0.50 0.19 0.00 -1.71 0.00 0.00 66.02 65.10 1j4s s SER 98 CO 0.71 -0.85 1.21 -0.22 1.20 0.00 0.00 173.24 175.30 1j4s s LEU 99 N -3.85 -0.19 -0.03 3.45 2.96 -0.78 -4.55 118.68 115.70 1j4s s LEU 99 Ca 0.08 0.27 0.04 0.00 -0.22 0.00 0.00 54.13 54.30 1j4s s LEU 99 Cb 0.02 1.22 -0.01 0.00 0.50 0.00 0.00 46.19 47.93 1j4s s LEU 99 CO 0.05 -0.04 -0.16 0.28 -1.32 0.00 0.00 176.35 175.16 1j4s s THR 100 N 2.02 1.30 -0.21 3.68 -1.32 -0.81 -1.49 115.64 118.80 1j4s s THR 100 Ca -0.01 -0.67 -0.00 0.00 -1.21 0.00 0.00 61.69 59.80 1j4s s THR 100 Cb -0.02 -1.11 0.02 0.00 -1.51 0.00 0.00 72.50 69.88 1j4s s THR 100 CO -0.16 0.37 -0.12 -0.36 -2.21 0.00 0.00 174.62 172.14 1j4s s PHE 101 N -0.11 2.94 0.12 9.09 0.08 -1.01 -2.61 117.98 126.48 1j4s s PHE 101 Ca 0.00 -1.56 0.00 0.00 0.12 0.00 0.00 56.93 55.49 1j4s s PHE 101 Cb -0.09 -1.99 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 1j4s s PHE 101 CO 0.01 -0.75 0.28 0.21 -0.10 0.00 0.00 175.22 174.87 1j4s s LYS 102 N 1.31 3.47 0.30 0.44 2.47 -1.12 -0.58 119.74 126.04 1j4s s LYS 102 Ca 0.02 -0.44 0.10 0.00 -1.56 0.00 0.00 55.97 54.10 1j4s s LYS 102 Cb -0.15 -2.97 -0.05 0.00 -1.46 0.00 0.00 37.83 33.20 1j4s s LYS 102 CO -0.08 0.53 -0.09 0.99 0.16 0.00 0.00 175.35 176.87 1j4s s THR 103 N -1.65 2.69 -0.42 3.43 2.01 -0.50 -1.47 115.64 119.73 1j4s s THR 103 Ca 0.36 -2.16 0.26 0.00 0.31 0.00 0.00 61.69 60.46 1j4s s THR 103 Cb -0.12 -2.60 0.32 0.00 0.01 0.00 0.00 72.50 70.12 1j4s s THR 103 CO 0.28 -0.31 1.75 -0.55 -0.69 0.00 0.00 174.62 175.10 1j4s h ASN 104 N 2.03 0.00 1.03 3.53 7.08 -1.77 -3.06 115.58 124.42 1j4s h ASN 104 Ca -0.42 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 52.80 1j4s h ASN 104 Cb 1.25 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.49 1j4s h ASN 104 CO 0.63 0.00 -0.28 0.29 -2.08 0.00 0.00 177.43 175.99 1j4s n LYS 105 N -2.73 0.18 0.00 4.14 4.01 -1.26 -4.96 118.16 117.53 1j4s n LYS 105 Ca 0.03 0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.93 1j4s n LYS 105 Cb 0.41 -1.66 0.00 0.00 -0.51 0.00 0.00 35.03 33.27 1j4s n LYS 105 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1j4s n GLY 106 N 1.39 1.69 3.74 0.72 0.00 -1.16 -5.07 105.19 106.50 1j4s n GLY 106 Ca 0.05 -0.54 -0.42 0.00 0.00 0.00 0.00 46.02 45.11 1j4s n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4s s ARG 107 N 0.00 4.17 -0.29 1.61 0.52 -1.26 -4.77 118.95 118.92 1j4s s ARG 107 Ca 0.00 2.49 -0.00 0.00 -0.52 0.00 0.00 55.73 57.69 1j4s s ARG 107 Cb 0.00 -3.07 0.06 0.00 0.52 0.00 0.00 34.95 32.46 1j4s s ARG 107 CO 0.00 -0.59 -0.03 -0.08 0.02 0.00 0.00 175.30 174.63 1j4s s THR 108 N 0.26 2.74 -1.12 0.02 -1.32 -1.26 -1.41 115.64 113.54 1j4s s THR 108 Ca 0.64 -1.51 -0.22 0.00 -1.21 0.00 0.00 61.69 59.40 1j4s s THR 108 Cb -0.46 -2.60 -0.00 0.00 -1.51 0.00 0.00 72.50 67.93 1j4s s THR 108 CO 0.43 -0.11 1.77 -0.36 -2.21 0.00 0.00 174.62 174.13 1j4s s PHE 109 N 1.19 2.30 0.76 9.09 0.40 0.26 -4.96 117.98 127.03 1j4s s PHE 109 Ca -0.06 -0.43 -0.15 0.00 -0.60 0.00 0.00 56.93 55.70 1j4s s PHE 109 Cb -0.20 -4.40 -0.12 0.00 0.51 0.00 0.00 43.02 38.81 1j4s s PHE 109 CO -0.02 -1.66 -0.74 0.41 0.70 0.00 0.00 175.22 173.90 1j4s n GLY 110 N 6.15 -3.30 3.58 4.36 0.00 -1.26 -2.41 105.19 112.31 1j4s n GLY 110 Ca 0.42 -0.50 -0.60 0.00 0.00 0.00 0.00 46.02 45.35 1j4s n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4s n PRO 111 N 1.91 0.24 -4.30 1.61 -0.04 -1.26 -4.75 135.00 128.40 1j4s n PRO 111 Ca -0.02 0.09 -0.34 0.00 -0.04 0.00 0.00 63.50 63.19 1j4s n PRO 111 Cb 0.46 -1.62 -0.15 0.00 -0.04 0.00 0.00 33.50 32.15 1j4s n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4s s TYR 112 N 0.94 2.82 0.00 0.54 2.02 -0.56 -4.96 117.35 118.16 1j4s s TYR 112 Ca 0.94 -1.15 0.00 0.00 -0.37 0.00 0.00 57.07 56.49 1j4s s TYR 112 Cb -1.26 -1.94 0.00 0.00 -0.40 0.00 0.00 41.96 38.35 1j4s s TYR 112 CO 0.62 -0.56 0.00 0.41 -1.57 0.00 0.00 175.55 174.44 1j4s n GLY 113 N 4.34 0.73 3.79 0.71 0.00 -1.26 -1.87 105.19 111.63 1j4s n GLY 113 Ca -0.19 -1.90 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1j4s n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4s s ASP 114 N -0.94 7.26 -0.46 1.61 1.11 -1.12 -4.73 116.67 119.40 1j4s s ASP 114 Ca 0.00 1.79 -0.06 0.00 0.18 0.00 0.00 52.55 54.46 1j4s s ASP 114 Cb 0.00 -2.56 -0.18 0.00 1.07 0.00 0.00 42.92 41.25 1j4s s ASP 114 CO 0.00 -0.11 3.00 1.21 1.18 0.00 0.00 175.17 180.45 1j4s n GLU 115 N 0.38 2.19 -4.71 8.23 4.07 -1.26 -3.33 120.64 126.21 1j4s n GLU 115 Ca 0.02 -1.22 -0.31 0.00 -0.06 0.00 0.00 57.16 55.60 1j4s n GLU 115 Cb 0.51 -2.18 -0.13 0.00 -0.06 0.00 0.00 31.44 29.58 1j4s n GLU 115 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 1j4s s GLU 116 N 1.73 2.03 0.00 5.31 2.12 -1.26 -5.01 118.70 123.62 1j4s s GLU 116 Ca 0.58 -1.00 0.00 0.00 0.36 0.00 0.00 54.97 54.91 1j4s s GLU 116 Cb 0.23 -2.15 0.00 0.00 0.26 0.00 0.00 34.13 32.47 1j4s s GLU 116 CO -0.02 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.65 1j4s n GLY 117 N 1.61 -1.09 3.80 -1.50 0.00 -1.26 -4.20 105.19 102.55 1j4s n GLY 117 Ca -0.16 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 43.39 1j4s n GLY 117 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1j4s s THR 118 N 0.00 4.31 0.18 2.61 -1.32 0.09 -4.68 115.64 116.83 1j4s s THR 118 Ca 0.00 1.64 -0.08 0.00 -1.21 0.00 0.00 61.69 62.04 1j4s s THR 118 Cb 0.00 -3.79 -0.06 0.00 -1.51 0.00 0.00 72.50 67.13 1j4s s THR 118 CO 0.00 -0.10 0.47 -0.47 -2.21 0.00 0.00 174.62 172.31 1j4s s TYR 119 N -1.91 3.46 0.04 9.09 5.04 -1.26 0.77 117.35 132.57 1j4s s TYR 119 Ca 0.56 0.75 0.02 0.00 -2.44 0.00 0.00 57.07 55.96 1j4s s TYR 119 Cb -0.13 -2.16 -0.02 0.00 0.35 0.00 0.00 41.96 39.99 1j4s s TYR 119 CO 0.18 0.35 -0.07 -0.59 -1.34 0.00 0.00 175.55 174.09 1j4s s PHE 120 N -1.72 0.59 -0.24 4.97 -0.12 -1.26 -4.83 117.98 115.37 1j4s s PHE 120 Ca 0.44 -0.53 -0.03 0.00 -0.05 0.00 0.00 56.93 56.76 1j4s s PHE 120 Cb -0.12 -0.36 0.13 0.00 -0.63 0.00 0.00 43.02 42.04 1j4s s PHE 120 CO 0.22 -0.11 0.37 1.21 -0.05 0.00 0.00 175.22 176.86 1j4s s ASN 121 N -1.61 0.29 -0.56 1.98 2.47 -1.26 -2.80 114.94 113.44 1j4s s ASN 121 Ca -0.10 0.25 -0.11 0.00 0.42 0.00 0.00 52.86 53.31 1j4s s ASN 121 Cb -0.09 1.07 0.14 0.00 -1.45 0.00 0.00 41.25 40.92 1j4s s ASN 121 CO -0.00 -0.30 0.46 -0.22 -3.72 0.00 0.00 177.10 173.32 1j4s s LEU 122 N 2.53 5.96 -0.03 3.21 2.96 0.85 -4.98 118.68 129.18 1j4s s LEU 122 Ca 0.11 -2.07 -0.03 0.00 -0.22 0.00 0.00 54.13 51.93 1j4s s LEU 122 Cb -0.15 -2.09 -0.04 0.00 0.50 0.00 0.00 46.19 44.41 1j4s s LEU 122 CO -0.15 -0.70 0.14 -2.16 -1.32 0.00 0.00 176.35 172.16 1j4s s PRO 123 N 1.14 3.32 -0.04 0.98 0.04 -1.26 -0.53 135.00 138.64 1j4s s PRO 123 Ca 0.08 -0.33 0.06 0.00 0.04 0.00 0.00 61.00 60.84 1j4s s PRO 123 Cb -0.24 -3.04 -0.02 0.00 0.04 0.00 0.00 34.50 31.24 1j4s s PRO 123 CO -0.01 0.69 -0.22 0.42 0.04 0.00 0.00 177.00 177.92 1j4s s ILE 124 N -1.21 2.38 -0.17 0.56 1.01 -0.64 -4.98 121.20 118.16 1j4s s ILE 124 Ca 0.23 -0.97 0.04 0.00 0.00 0.00 0.00 60.65 59.95 1j4s s ILE 124 Cb -0.12 -1.88 -0.13 0.00 0.01 0.00 0.00 42.46 40.34 1j4s s ILE 124 CO 0.14 0.58 -0.11 -0.62 0.00 0.00 0.00 174.94 174.93 1j4s n GLU 125 N 2.56 0.76 -3.70 2.79 1.02 -1.26 -4.84 120.64 117.98 1j4s n GLU 125 Ca -0.17 0.08 -0.11 0.00 -0.02 0.00 0.00 57.16 56.94 1j4s n GLU 125 Cb 0.52 -1.35 -0.11 0.00 -0.02 0.00 0.00 31.44 30.47 1j4s n GLU 125 CO 0.00 0.00 0.00 1.21 1.18 0.00 0.00 177.13 179.52 1j4s s ASN 126 N -5.46 -0.49 0.00 1.62 2.47 -1.26 -5.15 114.94 106.67 1j4s s ASN 126 Ca -0.20 0.87 0.00 0.00 0.42 0.00 0.00 52.86 53.95 1j4s s ASN 126 Cb 0.06 0.76 0.00 0.00 -1.45 0.00 0.00 41.25 40.61 1j4s s ASN 126 CO 0.44 -0.19 0.00 0.61 -3.72 0.00 0.00 177.10 174.24 1j4s n GLY 127 N 4.29 1.85 2.88 1.21 0.00 -1.26 -5.06 105.19 109.11 1j4s n GLY 127 Ca -0.23 -1.98 -0.18 0.00 0.00 0.00 0.00 46.02 43.63 1j4s n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4s s LEU 128 N 0.00 1.44 0.02 0.99 2.01 -0.00 -4.95 118.68 118.19 1j4s s LEU 128 Ca 0.00 -0.09 -0.30 0.00 0.01 0.00 0.00 54.13 53.75 1j4s s LEU 128 Cb 0.00 -0.33 -0.05 0.00 0.01 0.00 0.00 46.19 45.81 1j4s s LEU 128 CO 0.00 -0.04 1.30 -0.63 1.01 0.00 0.00 176.35 177.99 1j4s s ILE 129 N 0.70 3.86 0.00 -0.59 1.01 -1.26 -2.36 121.20 122.56 1j4s s ILE 129 Ca -0.08 1.28 0.00 0.00 0.00 0.00 0.00 60.65 61.85 1j4s s ILE 129 Cb -0.11 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.53 1j4s s ILE 129 CO -0.00 0.04 0.84 0.55 0.00 0.00 0.00 174.94 176.37 1j4s n VAL 130 N 4.32 0.69 0.00 2.92 3.14 1.00 -4.55 118.33 125.85 1j4s n VAL 130 Ca 0.11 -0.71 0.00 0.00 -2.96 0.00 0.00 64.34 60.78 1j4s n VAL 130 Cb 0.45 0.67 0.00 0.00 -1.06 0.00 0.00 33.84 33.90 1j4s n VAL 130 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1j4s n GLY 131 N -0.34 2.00 3.67 7.55 0.00 -1.25 -1.36 105.19 115.46 1j4s n GLY 131 Ca 0.00 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.40 1j4s n GLY 131 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1j4s s PHE 132 N -1.73 3.09 0.09 1.61 0.08 -1.26 -0.29 117.98 119.57 1j4s s PHE 132 Ca 0.00 0.12 0.05 0.00 0.12 0.00 0.00 56.93 57.22 1j4s s PHE 132 Cb 0.00 -1.73 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 1j4s s PHE 132 CO 0.00 0.44 -0.13 0.21 -0.10 0.00 0.00 175.22 175.64 1j4s s LYS 133 N -1.15 0.87 0.00 0.44 2.20 0.09 -2.52 119.74 119.67 1j4s s LYS 133 Ca 0.16 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 54.69 1j4s s LYS 133 Cb -0.11 -0.77 0.00 0.00 -1.51 0.00 0.00 37.83 35.44 1j4s s LYS 133 CO 0.05 0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.61 1j4s n GLY 134 N 0.91 -0.66 3.09 5.54 0.00 0.92 0.23 105.19 115.22 1j4s n GLY 134 Ca -0.18 -0.50 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1j4s n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4s s ARG 135 N -0.26 0.23 0.18 1.61 0.52 -0.90 0.02 118.95 120.35 1j4s s ARG 135 Ca 0.00 0.63 0.10 0.00 -0.52 0.00 0.00 55.73 55.94 1j4s s ARG 135 Cb 0.00 -0.08 -0.04 0.00 0.52 0.00 0.00 34.95 35.35 1j4s s ARG 135 CO 0.00 -0.19 -0.21 0.99 0.02 0.00 0.00 175.30 175.92 1j4s s THR 136 N 1.54 2.07 0.00 0.02 2.01 -1.20 -0.12 115.64 119.97 1j4s s THR 136 Ca -0.07 -1.99 0.00 0.00 0.31 0.00 0.00 61.69 59.94 1j4s s THR 136 Cb -0.10 -1.98 0.00 0.00 0.01 0.00 0.00 72.50 70.42 1j4s s THR 136 CO -0.09 -0.24 0.00 0.61 -0.69 0.00 0.00 174.62 174.21 1j4s n GLY 137 N 0.23 -0.93 0.09 4.40 0.00 -1.26 -0.58 105.19 107.14 1j4s n GLY 137 Ca -0.12 0.25 -0.11 0.00 0.00 0.00 0.00 46.02 46.04 1j4s n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4s n ASP 138 N -1.14 2.22 0.00 1.61 9.92 -1.26 -4.95 116.55 122.95 1j4s n ASP 138 Ca 0.00 -0.07 0.00 0.00 -0.53 0.00 0.00 54.79 54.19 1j4s n ASP 138 Cb 0.00 0.05 0.00 0.00 -0.64 0.00 0.00 41.12 40.53 1j4s n ASP 138 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 1j4s n LEU 139 N -2.89 0.00 -4.41 0.64 7.99 -1.26 -4.39 117.00 112.68 1j4s n LEU 139 Ca -0.30 0.00 -0.44 0.00 -0.01 0.00 0.00 56.01 55.26 1j4s n LEU 139 Cb 0.89 0.00 -0.08 0.00 -0.11 0.00 0.00 43.42 44.12 1j4s n LEU 139 CO 0.22 0.00 0.05 -0.22 -1.51 0.00 0.00 177.39 175.94 1j4s s LEU 140 N 0.00 5.42 0.09 2.23 2.96 0.82 -4.46 118.68 125.74 1j4s s LEU 140 Ca 0.00 -1.17 0.01 0.00 -0.22 0.00 0.00 54.13 52.75 1j4s s LEU 140 Cb 0.00 -2.22 -0.25 0.00 0.50 0.00 0.00 46.19 44.22 1j4s s LEU 140 CO 0.00 -0.64 1.17 0.44 -1.32 0.00 0.00 176.35 176.00 1j4s h ASP 141 N 8.76 0.22 -5.02 3.68 5.19 -0.83 -2.64 116.42 125.79 1j4s h ASP 141 Ca -0.28 -0.24 -0.08 0.00 -0.62 0.00 0.00 57.03 55.81 1j4s h ASP 141 Cb 1.11 -0.07 -0.18 0.00 0.18 0.00 0.00 39.33 40.37 1j4s h ASP 141 CO 0.86 1.19 -0.09 0.00 -3.12 0.00 0.00 179.24 178.08 1j4s s ALA 142 N -2.68 -1.10 -0.02 3.45 0.00 -1.00 -1.89 121.76 118.52 1j4s s ALA 142 Ca -0.02 0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.45 1j4s s ALA 142 Cb 0.08 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.44 1j4s s ALA 142 CO 0.85 -0.40 -0.03 -1.50 0.00 0.00 0.00 175.76 174.69 1j4s s ILE 143 N -1.96 0.32 0.19 0.00 2.07 -0.61 -2.12 121.20 119.08 1j4s s ILE 143 Ca -0.08 -0.08 0.04 0.00 -1.41 0.00 0.00 60.65 59.12 1j4s s ILE 143 Cb -0.02 -0.34 -0.05 0.00 0.13 0.00 0.00 42.46 42.19 1j4s s ILE 143 CO 0.01 0.14 -0.07 -0.83 -1.91 0.00 0.00 174.94 172.29 1j4s s GLY 144 N 0.49 1.29 0.11 1.50 0.00 0.13 -0.73 107.32 110.12 1j4s s GLY 144 Ca -0.05 -1.62 0.05 0.00 0.00 0.00 0.00 44.72 43.10 1j4s s GLY 144 CO -0.01 -1.64 -0.13 -0.42 0.00 0.00 0.00 173.10 170.91 1j4s s ILE 145 N -3.33 1.20 0.03 0.90 1.09 -1.11 -0.73 121.20 119.24 1j4s s ILE 145 Ca 0.22 -1.69 0.05 0.00 -1.10 0.00 0.00 60.65 58.13 1j4s s ILE 145 Cb 0.04 -1.47 -0.03 0.00 -1.06 0.00 0.00 42.46 39.93 1j4s s ILE 145 CO 0.04 -0.46 -0.11 -1.00 -0.10 0.00 0.00 174.94 173.31 1j4s s HIS 146 N -2.24 2.75 0.10 3.97 3.76 0.60 -1.48 115.29 122.75 1j4s s HIS 146 Ca 0.08 -0.13 0.05 0.00 -0.15 0.00 0.00 55.06 54.90 1j4s s HIS 146 Cb -0.04 -1.54 -0.03 0.00 1.11 0.00 0.00 32.58 32.08 1j4s s HIS 146 CO 0.02 0.33 -0.13 -1.64 -0.85 0.00 0.00 174.74 172.47 1j4s s MET 147 N -1.50 0.89 0.23 1.40 -1.94 0.21 -0.00 119.30 118.60 1j4s s MET 147 Ca 0.17 -1.11 -0.19 0.00 -1.71 0.00 0.00 55.69 52.85 1j4s s MET 147 Cb -0.11 -0.76 0.02 0.00 2.01 0.00 0.00 34.83 36.00 1j4s s MET 147 CO 0.07 0.15 0.60 -1.12 -0.01 0.00 0.00 175.02 174.71 1j4s s SER 148 N -2.19 -0.26 0.00 3.03 0.01 -0.99 -2.47 113.70 110.83 1j4s s SER 148 Ca 0.04 -0.56 0.25 0.00 1.31 0.00 0.00 55.95 56.99 1j4s s SER 148 Cb -0.06 0.64 0.38 0.00 0.21 0.00 0.00 66.02 67.19 1j4s s SER 148 CO 0.02 -1.18 1.37 0.18 0.41 0.00 0.00 173.24 174.04