#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4s n SER 2 N 0.00 0.21 -4.72 0.00 3.41 -1.26 -5.09 113.62 106.16 1j4s n SER 2 Ca 0.00 0.53 -0.24 0.00 -0.26 0.00 0.00 58.87 58.90 1j4s n SER 2 Cb 0.00 -1.42 -0.07 0.00 -0.26 0.00 0.00 64.21 62.46 1j4s n SER 2 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1j4s s GLN 3 N -3.95 2.26 0.34 4.33 -2.07 -1.26 -5.12 119.66 114.20 1j4s s GLN 3 Ca 0.69 -1.72 0.04 0.00 -1.82 0.00 0.00 55.36 52.55 1j4s s GLN 3 Cb -0.28 -2.05 -0.04 0.00 -1.09 0.00 0.00 33.01 29.55 1j4s s GLN 3 CO 0.55 -0.00 0.14 0.95 -1.32 0.00 0.00 175.29 175.61 1j4s s THR 4 N -2.52 0.49 -0.18 3.63 -4.23 -1.26 -5.09 115.64 106.48 1j4s s THR 4 Ca 0.39 -2.00 -0.28 0.00 -1.18 0.00 0.00 61.69 58.62 1j4s s THR 4 Cb 0.01 -2.49 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1j4s s THR 4 CO 0.22 0.00 0.98 -0.63 -0.54 0.00 0.00 174.62 174.65 1j4s s ILE 5 N -3.44 4.76 -0.49 2.99 1.01 -1.07 -4.88 121.20 120.09 1j4s s ILE 5 Ca 0.32 1.93 -0.08 0.00 0.00 0.00 0.00 60.65 62.82 1j4s s ILE 5 Cb 0.04 -4.27 0.12 0.00 0.01 0.00 0.00 42.46 38.37 1j4s s ILE 5 CO 0.17 -0.08 0.35 -0.89 0.00 0.00 0.00 174.94 174.48 1j4s s THR 6 N 2.63 4.08 0.08 2.92 2.01 -1.26 -1.12 115.64 124.99 1j4s s THR 6 Ca 0.44 -1.94 -0.06 0.00 0.31 0.00 0.00 61.69 60.44 1j4s s THR 6 Cb -0.16 -3.69 -0.05 0.00 0.01 0.00 0.00 72.50 68.60 1j4s s THR 6 CO 0.11 -0.78 0.33 -0.69 -0.69 0.00 0.00 174.62 172.89 1j4s s VAL 7 N 1.18 5.22 -2.38 3.82 1.01 -0.92 -4.96 120.40 123.37 1j4s s VAL 7 Ca 0.07 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1j4s s VAL 7 Cb -0.25 -3.61 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1j4s s VAL 7 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 175.10 175.89 1j4s n GLY 8 N 0.57 0.70 3.19 4.51 0.00 -1.26 -0.45 105.19 112.45 1j4s n GLY 8 Ca -0.06 -2.10 -0.05 0.00 0.00 0.00 0.00 46.02 43.80 1j4s n GLY 8 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1j4s n SER 9 N 0.46 -7.28 -4.64 1.61 7.64 -1.26 -4.87 113.62 105.29 1j4s n SER 9 Ca 0.00 -0.25 -0.38 0.00 1.01 0.00 0.00 58.87 59.24 1j4s n SER 9 Cb 0.00 -4.75 -0.08 0.00 -1.01 0.00 0.00 64.21 58.36 1j4s n SER 9 CO 0.00 0.00 0.00 0.26 -3.01 0.00 0.00 175.04 172.29 1j4s s TRP 10 N -3.03 3.31 0.00 1.43 0.51 -0.90 -4.89 118.94 115.38 1j4s s TRP 10 Ca 0.03 0.50 0.00 0.00 -2.12 0.00 0.00 56.10 54.51 1j4s s TRP 10 Cb -0.01 -2.53 0.00 0.00 -0.81 0.00 0.00 33.47 30.13 1j4s s TRP 10 CO 0.77 -0.10 0.00 0.41 -0.51 0.00 0.00 176.95 177.53 1j4s n GLY 11 N 4.27 0.46 3.36 0.98 0.00 -1.26 -0.45 105.19 112.56 1j4s n GLY 11 Ca -0.09 -1.30 -0.18 0.00 0.00 0.00 0.00 46.02 44.45 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 1.75 0.00 -0.02 0.00 -0.12 -4.83 107.32 104.10 1j4s s GLY 12 Ca 0.00 -1.88 0.21 0.00 0.00 0.00 0.00 44.72 43.06 1j4s s GLY 12 CO 0.00 -1.70 1.67 -1.55 0.00 0.00 0.00 173.10 171.53 1j4s n PRO 13 N -0.51 0.55 -1.90 2.90 -0.04 -1.26 -4.42 135.00 130.31 1j4s n PRO 13 Ca -0.03 0.03 -0.30 0.00 -0.04 0.00 0.00 63.50 63.16 1j4s n PRO 13 Cb 0.65 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.82 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 -2.20 1.81 0.00 0.55 0.00 -1.26 -4.93 107.32 101.29 1j4s s GLY 14 Ca 0.28 -1.31 0.00 0.00 0.00 0.00 0.00 44.72 43.70 1j4s s GLY 14 CO 0.27 -0.47 0.00 0.61 0.00 0.00 0.00 173.10 173.51 1j4s n GLY 15 N -3.75 -0.98 3.35 0.20 0.00 -1.26 -4.67 105.19 98.08 1j4s n GLY 15 Ca 0.17 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.66 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 3.26 0.17 1.61 0.02 -0.58 -4.88 114.94 110.55 1j4s s ASN 16 Ca 0.00 -0.41 -0.30 0.00 -1.02 0.00 0.00 52.86 51.13 1j4s s ASN 16 Cb 0.00 -0.46 -0.07 0.00 0.02 0.00 0.00 41.25 40.74 1j4s s ASN 16 CO 0.00 0.32 1.11 -0.83 0.02 0.00 0.00 177.10 177.72 1j4s s GLY 17 N -0.63 2.82 0.02 0.66 0.00 -1.26 -1.62 107.32 107.30 1j4s s GLY 17 Ca 0.10 0.82 0.04 0.00 0.00 0.00 0.00 44.72 45.68 1j4s s GLY 17 CO -0.01 1.69 -0.11 0.66 0.00 0.00 0.00 173.10 175.33 1j4s s TRP 18 N -0.16 0.95 -0.22 1.90 -2.14 0.11 -4.94 118.94 114.45 1j4s s TRP 18 Ca 0.50 -0.28 -0.02 0.00 2.66 0.00 0.00 56.10 58.95 1j4s s TRP 18 Cb -0.30 -0.58 0.07 0.00 -3.10 0.00 0.00 33.47 29.56 1j4s s TRP 18 CO 0.35 -0.00 0.05 0.34 -2.66 0.00 0.00 176.95 175.02 1j4s s ASP 19 N -0.78 3.16 0.49 -2.66 -1.08 -1.26 -1.39 116.67 113.15 1j4s s ASP 19 Ca 0.01 -0.99 0.28 0.00 -0.52 0.00 0.00 52.55 51.33 1j4s s ASP 19 Cb -0.06 -0.64 0.93 0.00 -1.46 0.00 0.00 42.92 41.68 1j4s s ASP 19 CO 0.00 -0.33 1.82 -0.33 0.52 0.00 0.00 175.17 176.86 1j4s h GLU 20 N 8.22 0.00 0.00 4.34 5.08 -1.09 -3.49 114.58 127.64 1j4s h GLU 20 Ca -0.16 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.20 1j4s h GLU 20 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1j4s h GLU 20 CO 0.37 0.06 0.00 0.41 -1.00 0.00 0.00 179.01 178.85 1j4s n GLY 21 N 0.43 2.20 3.84 -3.84 0.00 -1.26 -4.89 105.19 101.67 1j4s n GLY 21 Ca 0.02 -2.05 -0.37 0.00 0.00 0.00 0.00 46.02 43.62 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 0.00 6.36 0.00 1.61 0.01 -1.26 -3.91 113.70 116.51 1j4s s SER 22 Ca 0.00 0.43 0.00 0.00 1.31 0.00 0.00 55.95 57.69 1j4s s SER 22 Cb 0.00 -2.08 0.00 0.00 0.21 0.00 0.00 66.02 64.15 1j4s s SER 22 CO 0.00 0.35 0.00 -1.22 0.41 0.00 0.00 173.24 172.78 1j4s n TYR 23 N 2.38 0.00 -0.04 2.43 4.02 -0.16 -4.96 117.16 120.82 1j4s n TYR 23 Ca -0.19 0.00 -0.10 0.00 -0.01 0.00 0.00 57.90 57.60 1j4s n TYR 23 Cb 0.54 0.00 -0.15 0.00 -0.02 0.00 0.00 39.34 39.72 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 1.56 -1.89 -0.72 -1.04 -0.77 -4.94 114.28 106.48 1j4s n THR 24 Ca 0.00 -0.80 0.00 0.00 -2.04 0.00 0.00 64.05 61.21 1j4s n THR 24 Cb 0.00 -0.94 0.00 0.00 -1.82 0.00 0.00 70.33 67.57 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 1.66 -1.46 3.42 3.41 0.00 -1.25 -4.96 105.19 106.00 1j4s n GLY 25 Ca -0.23 -1.02 -0.33 0.00 0.00 0.00 0.00 46.02 44.44 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 -2.57 3.15 -0.10 -0.61 1.09 -1.26 -0.91 121.20 119.99 1j4s s ILE 26 Ca 0.00 -0.65 0.10 0.00 -1.10 0.00 0.00 60.65 59.00 1j4s s ILE 26 Cb 0.00 -2.30 -0.13 0.00 -1.06 0.00 0.00 42.46 38.97 1j4s s ILE 26 CO 0.00 0.55 0.04 0.54 -0.10 0.00 0.00 174.94 175.97 1j4s n ARG 27 N 3.11 2.22 -3.65 2.79 1.74 -0.87 -4.79 116.66 117.20 1j4s n ARG 27 Ca -0.18 -0.01 -0.09 0.00 -0.77 0.00 0.00 57.85 56.80 1j4s n ARG 27 Cb 0.53 -1.28 -0.08 0.00 -1.02 0.00 0.00 32.46 30.61 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 -2.27 0.67 -0.08 5.56 0.74 -1.15 -2.69 119.66 120.45 1j4s s GLN 28 Ca -0.05 1.08 0.01 0.00 0.05 0.00 0.00 55.36 56.45 1j4s s GLN 28 Cb 0.03 0.17 -0.03 0.00 1.10 0.00 0.00 33.01 34.29 1j4s s GLN 28 CO 0.44 -0.14 -0.09 0.42 -0.55 0.00 0.00 175.29 175.38 1j4s s ILE 29 N 1.28 3.53 -0.27 -2.34 1.01 -0.08 -0.26 121.20 124.06 1j4s s ILE 29 Ca -0.07 -0.54 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1j4s s ILE 29 Cb -0.05 -2.44 0.08 0.00 0.01 0.00 0.00 42.46 40.06 1j4s s ILE 29 CO -0.14 0.58 0.04 -0.70 0.00 0.00 0.00 174.94 174.72 1j4s s GLU 30 N -0.60 1.08 0.42 2.79 2.12 -0.10 -0.31 118.70 124.10 1j4s s GLU 30 Ca 0.09 -1.07 0.05 0.00 0.36 0.00 0.00 54.97 54.40 1j4s s GLU 30 Cb -0.12 -2.36 -0.05 0.00 0.26 0.00 0.00 34.13 31.86 1j4s s GLU 30 CO 0.02 -0.82 0.03 -0.48 -0.54 0.00 0.00 175.26 173.47 1j4s s LEU 31 N 1.48 2.51 0.00 2.70 2.34 -1.05 -1.80 118.68 124.87 1j4s s LEU 31 Ca 0.04 -1.48 0.04 0.00 0.06 0.00 0.00 54.13 52.79 1j4s s LEU 31 Cb -0.18 -0.68 -0.01 0.00 -0.56 0.00 0.00 46.19 44.75 1j4s s LEU 31 CO -0.15 -0.63 -0.13 -0.94 -1.06 0.00 0.00 176.35 173.44 1j4s s SER 32 N -3.70 1.55 0.16 1.48 1.04 -0.41 -1.89 113.70 111.93 1j4s s SER 32 Ca 0.26 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 56.24 1j4s s SER 32 Cb 0.07 -0.15 0.02 0.00 0.10 0.00 0.00 66.02 66.06 1j4s s SER 32 CO 0.13 0.12 0.43 -0.72 0.98 0.00 0.00 173.24 174.18 1j4s s TYR 33 N -0.47 -0.04 0.00 5.02 1.13 0.23 -0.41 117.35 122.81 1j4s s TYR 33 Ca 0.04 -0.30 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 1j4s s TYR 33 Cb -0.06 0.25 0.00 0.00 -1.10 0.00 0.00 41.96 41.05 1j4s s TYR 33 CO 0.00 -0.80 0.00 1.17 -2.51 0.00 0.00 175.55 173.41 1j4s n LYS 34 N -0.27 0.00 -0.06 -3.49 3.00 -1.26 -0.61 118.16 115.47 1j4s n LYS 34 Ca -0.12 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.18 1j4s n LYS 34 Cb 0.63 0.00 -0.16 0.00 0.00 0.00 0.00 35.03 35.50 1j4s n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4s n GLU 35 N -0.20 0.68 -4.18 1.64 4.71 -1.26 -4.25 120.64 117.78 1j4s n GLU 35 Ca 0.00 -0.08 -0.12 0.00 -0.01 0.00 0.00 57.16 56.95 1j4s n GLU 35 Cb 0.00 -1.53 -0.09 0.00 -1.01 0.00 0.00 31.44 28.81 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 -2.93 1.05 -0.13 0.62 0.00 -1.26 -1.85 121.76 117.25 1j4s s ALA 36 Ca -0.09 -1.63 -0.28 0.00 0.00 0.00 0.00 51.96 49.97 1j4s s ALA 36 Cb 0.09 1.36 -0.01 0.00 0.00 0.00 0.00 23.12 24.56 1j4s s ALA 36 CO 0.86 -0.62 0.93 0.42 0.00 0.00 0.00 175.76 177.35 1j4s s ILE 37 N -4.11 4.83 -0.00 0.00 -1.09 -0.81 -4.36 121.20 115.66 1j4s s ILE 37 Ca 0.37 1.86 -0.00 0.00 -2.23 0.00 0.00 60.65 60.65 1j4s s ILE 37 Cb 0.06 -4.23 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 1j4s s ILE 37 CO 0.12 0.02 -0.00 0.61 -1.23 0.00 0.00 174.94 174.46 1j4s n GLY 38 N 3.24 -0.34 3.90 6.18 0.00 0.45 -1.24 105.19 117.38 1j4s n GLY 38 Ca 0.07 -0.00 -0.32 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 -4.24 6.47 -0.29 1.61 0.01 -1.25 -3.57 113.70 112.44 1j4s s SER 39 Ca -0.00 0.54 0.02 0.00 1.31 0.00 0.00 55.95 57.81 1j4s s SER 39 Cb 0.00 -2.07 0.16 0.00 0.21 0.00 0.00 66.02 64.32 1j4s s SER 39 CO 0.00 0.10 0.42 0.12 0.41 0.00 0.00 173.24 174.29 1j4s s PHE 40 N -1.58 -1.03 0.07 2.43 2.19 -0.17 -1.29 117.98 118.59 1j4s s PHE 40 Ca 0.38 0.43 0.07 0.00 0.33 0.00 0.00 56.93 58.13 1j4s s PHE 40 Cb -0.12 -0.11 -0.03 0.00 -1.31 0.00 0.00 43.02 41.45 1j4s s PHE 40 CO 0.24 -0.96 -0.18 -1.54 1.83 0.00 0.00 175.22 174.61 1j4s s SER 41 N 2.56 2.13 0.16 6.13 1.04 -0.74 -3.63 113.70 121.35 1j4s s SER 41 Ca 0.10 -0.59 0.08 0.00 0.48 0.00 0.00 55.95 56.02 1j4s s SER 41 Cb -0.13 -0.12 -0.04 0.00 0.10 0.00 0.00 66.02 65.83 1j4s s SER 41 CO -0.28 0.04 -0.18 0.54 0.98 0.00 0.00 173.24 174.33 1j4s s VAL 42 N -1.06 1.77 -0.29 5.02 0.11 -1.26 -0.92 120.40 123.77 1j4s s VAL 42 Ca 0.03 -1.87 -0.10 0.00 -2.93 0.00 0.00 61.98 57.12 1j4s s VAL 42 Cb -0.09 -1.80 -0.03 0.00 -1.53 0.00 0.00 36.38 32.93 1j4s s VAL 42 CO 0.03 -0.30 0.16 -0.63 -3.33 0.00 0.00 175.10 171.02 1j4s s ILE 43 N -1.98 4.84 0.57 7.04 1.01 0.64 -2.09 121.20 131.23 1j4s s ILE 43 Ca 0.14 -0.15 0.02 0.00 0.00 0.00 0.00 60.65 60.67 1j4s s ILE 43 Cb -0.06 -3.37 0.05 0.00 0.01 0.00 0.00 42.46 39.09 1j4s s ILE 43 CO 0.06 0.18 0.80 -0.31 0.00 0.00 0.00 174.94 175.67 1j4s s TYR 44 N 1.67 2.51 -0.18 3.97 2.02 0.11 -2.06 117.35 125.39 1j4s s TYR 44 Ca 0.06 -0.16 -0.08 0.00 -0.37 0.00 0.00 57.07 56.52 1j4s s TYR 44 Cb -0.16 -2.72 -0.04 0.00 -0.40 0.00 0.00 41.96 38.63 1j4s s TYR 44 CO 0.08 -1.00 0.10 0.34 -1.57 0.00 0.00 175.55 173.49 1j4s s ASP 45 N -4.49 5.95 -0.47 2.29 2.15 -0.08 0.24 116.67 122.25 1j4s s ASP 45 Ca 0.59 0.19 0.03 0.00 0.43 0.00 0.00 52.55 53.78 1j4s s ASP 45 Cb -0.09 -2.02 0.14 0.00 -0.30 0.00 0.00 42.92 40.65 1j4s s ASP 45 CO 0.39 0.20 0.26 -0.22 -0.17 0.00 0.00 175.17 175.64 1j4s s LEU 46 N 0.20 3.15 -1.18 -1.34 2.96 0.12 -1.86 118.68 120.73 1j4s s LEU 46 Ca 0.07 -2.80 -0.03 0.00 -0.22 0.00 0.00 54.13 51.15 1j4s s LEU 46 Cb -0.12 -1.19 -0.02 0.00 0.50 0.00 0.00 46.19 45.37 1j4s s LEU 46 CO -0.00 -0.24 0.90 0.59 -1.32 0.00 0.00 176.35 176.27 1j4s n ASN 47 N 3.33 -3.19 0.00 3.68 5.03 -1.26 -1.81 115.26 121.04 1j4s n ASN 47 Ca 0.09 -0.71 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1j4s n ASN 47 Cb 0.34 -4.81 0.00 0.00 -1.02 0.00 0.00 39.78 34.30 1j4s n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4s n GLY 48 N -1.29 2.92 3.51 7.41 0.00 -1.26 -5.03 105.19 111.46 1j4s n GLY 48 Ca -0.23 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 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 0.32 4.73 0.80 1.61 1.11 -0.75 -5.09 116.67 119.40 1j4s s ASP 49 Ca 0.00 -0.11 -0.15 0.00 0.18 0.00 0.00 52.55 52.47 1j4s s ASP 49 Cb 0.00 -1.64 -0.01 0.00 1.07 0.00 0.00 42.92 42.34 1j4s s ASP 49 CO 0.00 0.22 0.54 -2.65 1.18 0.00 0.00 175.17 174.46 1j4s n PRO 50 N 3.21 0.12 -3.73 8.23 -0.02 -1.26 0.12 135.00 141.66 1j4s n PRO 50 Ca -0.18 0.09 -0.12 0.00 -2.02 0.00 0.00 63.50 61.27 1j4s n PRO 50 Cb 0.53 -1.88 -0.12 0.00 -0.02 0.00 0.00 33.50 32.00 1j4s n PRO 50 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1j4s s PHE 51 N -2.07 -0.38 -0.24 6.00 2.19 0.14 -4.66 117.98 118.96 1j4s s PHE 51 Ca 0.63 0.89 -0.20 0.00 0.33 0.00 0.00 56.93 58.58 1j4s s PHE 51 Cb -0.30 0.11 -0.02 0.00 -1.31 0.00 0.00 43.02 41.50 1j4s s PHE 51 CO 0.60 -0.23 0.61 -1.12 1.83 0.00 0.00 175.22 176.91 1j4s s SER 52 N 0.97 6.58 0.60 6.13 0.01 -1.26 0.04 113.70 126.77 1j4s s SER 52 Ca -0.07 0.70 -0.14 0.00 1.31 0.00 0.00 55.95 57.76 1j4s s SER 52 Cb -0.08 -2.33 -0.04 0.00 0.21 0.00 0.00 66.02 63.79 1j4s s SER 52 CO -0.07 -0.33 1.04 -0.83 0.41 0.00 0.00 173.24 173.46 1j4s s GLY 53 N 1.41 1.94 0.83 3.44 0.00 -0.89 -4.93 107.32 109.12 1j4s s GLY 53 Ca 0.26 0.21 -0.14 0.00 0.00 0.00 0.00 44.72 45.04 1j4s s GLY 53 CO 0.09 0.51 0.65 -1.05 0.00 0.00 0.00 173.10 173.30 1j4s n PRO 54 N -2.28 0.04 -3.47 2.90 -0.02 -1.26 -4.59 135.00 126.33 1j4s n PRO 54 Ca 0.08 0.07 -0.38 0.00 -2.02 0.00 0.00 63.50 61.25 1j4s n PRO 54 Cb 0.53 -1.99 -0.06 0.00 -0.02 0.00 0.00 33.50 31.96 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 -3.43 4.10 -0.80 -0.52 -0.14 -1.26 -4.53 119.74 113.17 1j4s s LYS 55 Ca 0.64 0.34 0.02 0.00 -1.36 0.00 0.00 55.97 55.61 1j4s s LYS 55 Cb -0.28 -3.33 0.20 0.00 -1.68 0.00 0.00 37.83 32.74 1j4s s LYS 55 CO 0.60 0.44 0.64 0.72 -0.76 0.00 0.00 175.35 176.99 1j4s n HIS 56 N 2.76 3.70 -3.07 3.18 8.25 -1.24 -5.00 115.22 123.80 1j4s n HIS 56 Ca -0.12 -4.22 -0.39 0.00 -0.26 0.00 0.00 57.72 52.73 1j4s n HIS 56 Cb 0.52 -0.85 -0.05 0.00 1.12 0.00 0.00 29.99 30.72 1j4s n HIS 56 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1j4s s THR 57 N -1.50 4.77 -0.16 1.59 -1.32 -1.26 -1.00 115.64 116.75 1j4s s THR 57 Ca 0.27 1.49 -0.13 0.00 -1.21 0.00 0.00 61.69 62.10 1j4s s THR 57 Cb -0.05 -4.04 -0.05 0.00 -1.51 0.00 0.00 72.50 66.85 1j4s s THR 57 CO -0.14 0.40 0.27 -0.55 -2.21 0.00 0.00 174.62 172.39 1j4s s SER 58 N -0.22 6.41 0.53 8.08 0.15 -1.26 -4.88 113.70 122.51 1j4s s SER 58 Ca 0.35 0.47 0.19 0.00 0.70 0.00 0.00 55.95 57.67 1j4s s SER 58 Cb -0.20 -2.17 1.34 0.00 -1.71 0.00 0.00 66.02 63.29 1j4s s SER 58 CO 0.21 0.12 2.12 0.50 1.20 0.00 0.00 173.24 177.39 1j4s h LYS 59 N 6.61 0.00 -6.26 5.44 3.64 -1.88 -3.44 116.57 120.68 1j4s h LYS 59 Ca -0.42 0.00 -0.64 0.00 -1.27 0.00 0.00 60.65 58.32 1j4s h LYS 59 Cb 1.16 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.00 1j4s h LYS 59 CO 0.75 0.00 1.02 1.28 -2.27 0.00 0.00 179.45 180.23 1j4s n LEU 60 N -4.44 3.14 -4.55 5.20 4.32 -1.26 -4.84 117.00 114.56 1j4s n LEU 60 Ca -0.00 1.01 -0.16 0.00 -0.02 0.00 0.00 56.01 56.83 1j4s n LEU 60 Cb 0.20 -1.32 -0.09 0.00 -1.62 0.00 0.00 43.42 40.60 1j4s n LEU 60 CO 0.34 -0.18 1.39 -2.65 -1.22 0.00 0.00 177.39 175.07 1j4s n PRO 61 N 6.03 0.52 -4.40 3.23 -0.02 -1.26 -4.90 135.00 134.20 1j4s n PRO 61 Ca 0.23 -0.68 -0.26 0.00 -2.02 0.00 0.00 63.50 60.77 1j4s n PRO 61 Cb 0.25 -3.32 -0.09 0.00 -0.02 0.00 0.00 33.50 30.32 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 12.75 2.53 0.31 6.00 1.51 -1.26 -5.00 117.35 134.20 1j4s s TYR 62 Ca 0.99 -0.56 -0.29 0.00 -1.01 0.00 0.00 57.07 56.21 1j4s s TYR 62 Cb -0.24 -1.68 -0.10 0.00 -0.11 0.00 0.00 41.96 39.83 1j4s s TYR 62 CO 0.16 0.41 1.18 -1.59 -1.11 0.00 0.00 175.55 174.60 1j4s s LYS 63 N -3.75 4.48 0.15 -0.62 0.00 0.22 -4.67 119.74 115.55 1j4s s LYS 63 Ca 0.36 1.96 0.05 0.00 0.00 0.00 0.00 55.97 58.34 1j4s s LYS 63 Cb 0.04 -3.09 -0.04 0.00 0.00 0.00 0.00 37.83 34.74 1j4s s LYS 63 CO 0.19 0.01 0.08 -0.80 0.00 0.00 0.00 175.35 174.84 1j4s s ASN 64 N -0.77 5.27 -0.12 0.03 -0.87 -1.26 -0.60 114.94 116.63 1j4s s ASN 64 Ca 0.47 -0.19 -0.17 0.00 -1.57 0.00 0.00 52.86 51.40 1j4s s ASN 64 Cb -0.35 -1.31 0.04 0.00 -0.02 0.00 0.00 41.25 39.62 1j4s s ASN 64 CO 0.45 0.10 0.44 0.68 -2.57 0.00 0.00 177.10 176.19 1j4s s VAL 65 N -1.66 0.01 -0.17 1.60 -7.23 -0.79 -5.00 120.40 107.16 1j4s s VAL 65 Ca 0.29 -0.11 0.00 0.00 -1.81 0.00 0.00 61.98 60.35 1j4s s VAL 65 Cb -0.10 -0.66 0.01 0.00 0.56 0.00 0.00 36.38 36.19 1j4s s VAL 65 CO 0.21 -0.06 -0.16 -0.54 -0.31 0.00 0.00 175.10 174.24 1j4s s LYS 66 N -0.27 3.13 -0.32 4.82 1.02 -1.26 -2.53 119.74 124.32 1j4s s LYS 66 Ca -0.04 -0.78 -0.10 0.00 0.02 0.00 0.00 55.97 55.07 1j4s s LYS 66 Cb -0.03 -2.63 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1j4s s LYS 66 CO 0.02 -0.10 0.16 0.42 -0.92 0.00 0.00 175.35 174.93 1j4s s ILE 67 N 1.09 4.57 -0.12 2.17 1.01 0.58 -4.96 121.20 125.54 1j4s s ILE 67 Ca -0.00 -0.51 0.03 0.00 0.00 0.00 0.00 60.65 60.17 1j4s s ILE 67 Cb -0.14 -3.37 0.01 0.00 0.01 0.00 0.00 42.46 38.97 1j4s s ILE 67 CO -0.06 0.02 -0.21 -1.83 0.00 0.00 0.00 174.94 172.86 1j4s s GLU 68 N 1.60 2.83 0.45 2.79 -1.05 -1.26 -0.91 118.70 123.15 1j4s s GLU 68 Ca 0.04 -0.79 -0.11 0.00 -0.15 0.00 0.00 54.97 53.96 1j4s s GLU 68 Cb -0.17 -2.27 -0.06 0.00 -0.44 0.00 0.00 34.13 31.19 1j4s s GLU 68 CO 0.06 0.02 0.83 -0.51 0.95 0.00 0.00 175.26 176.61 1j4s s LEU 69 N 0.75 3.73 -0.61 1.83 2.01 -1.09 -5.00 118.68 120.30 1j4s s LEU 69 Ca -0.10 1.22 -0.24 0.00 0.01 0.00 0.00 54.13 55.02 1j4s s LEU 69 Cb -0.16 -4.13 0.05 0.00 0.01 0.00 0.00 46.19 41.96 1j4s s LEU 69 CO 0.01 -0.49 0.99 -1.59 1.01 0.00 0.00 176.35 176.28 1j4s s LYS 70 N -4.08 3.25 0.07 1.70 0.00 -1.26 -4.88 119.74 114.54 1j4s s LYS 70 Ca 0.53 -0.43 -0.01 0.00 0.00 0.00 0.00 55.97 56.05 1j4s s LYS 70 Cb -0.10 -4.12 0.02 0.00 0.00 0.00 0.00 37.83 33.62 1j4s s LYS 70 CO 0.34 -1.66 0.04 0.34 0.00 0.00 0.00 175.35 174.41 1j4s n PHE 71 N 7.76 -1.50 0.00 1.78 7.35 -1.26 0.12 117.46 131.71 1j4s n PHE 71 Ca 0.00 -0.02 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1j4s n PHE 71 Cb 0.47 -0.08 0.00 0.00 0.35 0.00 0.00 39.48 40.22 1j4s n PHE 71 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1j4s n PRO 72 N -1.51 0.00 -0.22 -7.13 -0.04 -1.26 -3.56 135.00 121.27 1j4s n PRO 72 Ca 0.01 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.44 1j4s n PRO 72 Cb 0.03 0.00 0.09 0.00 -0.04 0.00 0.00 33.50 33.57 1j4s n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4s h ASP 73 N 0.00 0.55 -3.17 3.54 3.32 -2.00 -3.39 116.42 115.28 1j4s h ASP 73 Ca 0.00 0.02 -0.65 0.00 0.02 0.00 0.00 57.03 56.42 1j4s h ASP 73 Cb 0.00 -0.09 -0.14 0.00 0.22 0.00 0.00 39.33 39.32 1j4s h ASP 73 CO 0.00 0.37 -0.57 -0.70 -1.72 0.00 0.00 179.24 176.61 1j4s s GLU 74 N -6.10 3.48 0.07 3.56 2.12 0.33 -4.89 118.70 117.26 1j4s s GLU 74 Ca -0.13 -0.33 -0.10 0.00 0.36 0.00 0.00 54.97 54.77 1j4s s GLU 74 Cb 0.16 -3.03 0.01 0.00 0.26 0.00 0.00 34.13 31.52 1j4s s GLU 74 CO 0.76 0.54 0.23 -0.59 -0.54 0.00 0.00 175.26 175.65 1j4s s PHE 75 N -0.39 0.05 -0.02 5.30 -0.12 -1.26 -4.34 117.98 117.20 1j4s s PHE 75 Ca 0.09 -0.36 -0.30 0.00 -0.05 0.00 0.00 56.93 56.31 1j4s s PHE 75 Cb -0.12 -0.00 -0.06 0.00 -0.63 0.00 0.00 43.02 42.21 1j4s s PHE 75 CO 0.02 -0.51 1.54 -0.51 -0.05 0.00 0.00 175.22 175.70 1j4s s LEU 76 N -2.47 4.32 0.00 -1.99 2.01 -1.26 -2.18 118.68 117.10 1j4s s LEU 76 Ca -0.00 2.20 0.15 0.00 0.01 0.00 0.00 54.13 56.49 1j4s s LEU 76 Cb 0.02 -3.55 -0.01 0.00 0.01 0.00 0.00 46.19 42.66 1j4s s LEU 76 CO -0.08 -0.83 0.80 -1.84 1.01 0.00 0.00 176.35 175.41 1j4s n GLU 77 N 6.17 1.78 -3.66 1.70 0.28 -0.98 -4.72 120.64 121.20 1j4s n GLU 77 Ca 0.15 -0.74 -0.15 0.00 -0.16 0.00 0.00 57.16 56.27 1j4s n GLU 77 Cb 0.43 -1.23 -0.08 0.00 1.43 0.00 0.00 31.44 31.99 1j4s n GLU 77 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 1j4s s SER 78 N -1.81 -0.46 -0.04 -1.84 0.15 -1.15 -0.93 113.70 107.62 1j4s s SER 78 Ca 0.12 0.61 -0.03 0.00 0.70 0.00 0.00 55.95 57.35 1j4s s SER 78 Cb 0.12 0.64 0.01 0.00 -1.71 0.00 0.00 66.02 65.08 1j4s s SER 78 CO 0.38 -0.41 0.10 -0.69 1.20 0.00 0.00 173.24 173.82 1j4s s VAL 79 N -0.75 -0.01 0.12 4.45 1.01 -1.13 -2.73 120.40 121.36 1j4s s VAL 79 Ca -0.08 0.02 -0.26 0.00 0.00 0.00 0.00 61.98 61.66 1j4s s VAL 79 Cb -0.03 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.27 1j4s s VAL 79 CO 0.05 0.01 0.93 -0.94 0.00 0.00 0.00 175.10 175.15 1j4s s SER 80 N 0.17 -0.23 0.00 3.32 1.04 -1.14 -2.25 113.70 114.61 1j4s s SER 80 Ca -0.01 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1j4s s SER 80 Cb -0.02 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.57 1j4s s SER 80 CO -0.00 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 173.99 1j4s n GLY 81 N -0.41 -1.32 1.94 7.32 0.00 -1.23 -0.58 105.19 110.90 1j4s n GLY 81 Ca -0.07 0.48 0.00 0.00 0.00 0.00 0.00 46.02 46.43 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 -0.02 -4.56 1.61 4.02 -1.25 -3.60 117.16 113.36 1j4s n TYR 82 Ca 0.00 0.01 -0.23 0.00 -0.01 0.00 0.00 57.90 57.68 1j4s n TYR 82 Cb 0.00 -0.95 -0.16 0.00 -0.02 0.00 0.00 39.34 38.22 1j4s n TYR 82 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1j4s s THR 83 N -0.00 1.03 0.00 -0.72 2.01 -0.64 -1.70 115.64 115.62 1j4s s THR 83 Ca 0.00 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 61.21 1j4s s THR 83 Cb 0.00 -0.90 0.11 0.00 0.01 0.00 0.00 72.50 71.72 1j4s s THR 83 CO 0.00 0.31 1.25 -0.83 -0.69 0.00 0.00 174.62 174.67 1j4s s GLY 84 N 0.15 -0.39 1.00 4.40 0.00 -0.37 -1.19 107.32 110.92 1j4s s GLY 84 Ca -0.04 0.62 -0.11 0.00 0.00 0.00 0.00 44.72 45.19 1j4s s GLY 84 CO 0.01 0.25 1.10 -1.55 0.00 0.00 0.00 173.10 172.91 1j4s n PRO 85 N -0.50 -1.11 -3.57 2.90 -0.04 -1.26 -0.79 135.00 130.63 1j4s n PRO 85 Ca -0.08 -0.27 -0.29 0.00 -0.04 0.00 0.00 63.50 62.83 1j4s n PRO 85 Cb 0.63 -2.31 -0.12 0.00 -0.04 0.00 0.00 33.50 31.66 1j4s n PRO 85 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1j4s s PHE 86 N -2.56 1.47 -0.61 0.54 5.36 -1.25 -4.82 117.98 116.11 1j4s s PHE 86 Ca 0.67 -2.20 -0.26 0.00 -0.96 0.00 0.00 56.93 54.18 1j4s s PHE 86 Cb -0.24 -1.40 -0.04 0.00 -0.34 0.00 0.00 43.02 41.01 1j4s s PHE 86 CO 0.60 -0.79 2.03 -1.12 -1.46 0.00 0.00 175.22 174.48 1j4s s SER 87 N 0.38 5.00 0.00 6.13 0.01 -1.26 -1.80 113.70 122.16 1j4s s SER 87 Ca 0.22 0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.92 1j4s s SER 87 Cb -0.16 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.55 1j4s s SER 87 CO -0.06 -2.59 0.00 0.00 0.41 0.00 0.00 173.24 171.00 1j4s n ALA 88 N 13.87 0.00 1.43 1.44 0.00 -1.26 -4.75 120.51 131.24 1j4s n ALA 88 Ca 0.27 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.83 1j4s n ALA 88 Cb 0.52 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.67 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 0.00 -2.19 0.00 -0.00 -0.74 -4.77 117.00 109.30 1j4s n LEU 89 Ca 0.00 0.07 -0.12 0.00 -0.00 0.00 0.00 56.01 55.96 1j4s n LEU 89 Cb 0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 43.42 43.34 1j4s n LEU 89 CO 0.00 -0.02 -0.14 0.00 -0.00 0.00 0.00 177.39 177.23 1j4s n ALA 90 N -1.07 -0.65 -2.56 1.47 0.00 -1.13 -4.84 120.51 111.73 1j4s n ALA 90 Ca 0.17 0.12 -0.43 0.00 0.00 0.00 0.00 53.44 53.29 1j4s n ALA 90 Cb 0.11 -1.42 -0.05 0.00 0.00 0.00 0.00 19.45 18.10 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 -2.45 4.53 0.40 0.00 -1.32 -1.19 -4.90 115.64 110.71 1j4s s THR 91 Ca 0.00 0.62 0.10 0.00 -1.21 0.00 0.00 61.69 61.20 1j4s s THR 91 Cb 0.00 -4.40 0.18 0.00 -1.51 0.00 0.00 72.50 66.77 1j4s s THR 91 CO 0.00 -0.80 1.95 -0.65 -2.21 0.00 0.00 174.62 172.91 1j4s h PRO 92 N 9.05 0.24 -6.68 7.08 0.11 -1.89 -3.33 132.00 136.59 1j4s h PRO 92 Ca -0.24 -0.05 -0.48 0.00 0.11 0.00 0.00 66.00 65.34 1j4s h PRO 92 Cb 1.08 -0.04 0.02 0.00 0.11 0.00 0.00 31.00 32.17 1j4s h PRO 92 CO 1.00 0.34 -0.07 -0.08 -0.21 0.00 0.00 178.00 178.98 1j4s s THR 93 N -4.83 5.03 0.33 -1.15 -1.32 -1.26 -4.92 115.64 107.51 1j4s s THR 93 Ca -0.06 -0.18 -0.28 0.00 -1.21 0.00 0.00 61.69 59.96 1j4s s THR 93 Cb 0.16 -3.86 -0.10 0.00 -1.51 0.00 0.00 72.50 67.19 1j4s s THR 93 CO 0.73 -0.66 1.20 -2.84 -2.21 0.00 0.00 174.62 170.84 1j4s s PRO 94 N -4.43 4.40 0.23 7.08 0.02 -1.26 -4.31 135.00 136.73 1j4s s PRO 94 Ca 0.43 1.99 0.02 0.00 0.02 0.00 0.00 61.00 63.47 1j4s s PRO 94 Cb -0.10 -3.04 -0.05 0.00 0.02 0.00 0.00 34.50 31.33 1j4s s PRO 94 CO 0.39 -0.07 0.03 0.08 -0.33 0.00 0.00 177.00 177.10 1j4s s VAL 95 N -1.20 0.81 -0.28 3.83 1.01 0.03 -2.37 120.40 122.23 1j4s s VAL 95 Ca 0.49 -2.01 -0.29 0.00 0.00 0.00 0.00 61.98 60.17 1j4s s VAL 95 Cb -0.35 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.65 1j4s s VAL 95 CO 0.46 -0.26 1.06 0.68 0.00 0.00 0.00 175.10 177.04 1j4s s VAL 96 N -3.57 4.58 -0.15 2.92 -7.23 -0.95 -1.24 120.40 114.76 1j4s s VAL 96 Ca 0.30 1.87 -0.14 0.00 -1.81 0.00 0.00 61.98 62.20 1j4s s VAL 96 Cb 0.07 -4.36 -0.24 0.00 0.56 0.00 0.00 36.38 32.41 1j4s s VAL 96 CO 0.09 -0.34 0.34 0.03 -0.31 0.00 0.00 175.10 174.91 1j4s h ARG 97 N 7.81 0.16 -4.98 4.82 2.47 -1.54 -2.16 114.38 120.96 1j4s h ARG 97 Ca -0.20 -0.27 -0.32 0.00 -1.26 0.00 0.00 59.98 57.93 1j4s h ARG 97 Cb 1.06 0.10 -0.15 0.00 -1.65 0.00 0.00 29.97 29.34 1j4s h ARG 97 CO 1.01 1.13 -0.70 0.45 0.56 0.00 0.00 179.97 182.42 1j4s s SER 98 N -6.97 1.64 -0.26 7.04 0.15 -1.23 -2.42 113.70 111.64 1j4s s SER 98 Ca -0.24 -1.07 -0.08 0.00 0.70 0.00 0.00 55.95 55.26 1j4s s SER 98 Cb 0.06 0.02 0.12 0.00 -1.71 0.00 0.00 66.02 64.52 1j4s s SER 98 CO 0.70 -0.41 0.55 -0.22 1.20 0.00 0.00 173.24 175.06 1j4s s LEU 99 N -3.18 -0.98 -0.16 3.45 2.96 -1.12 -3.79 118.68 115.87 1j4s s LEU 99 Ca 0.19 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.35 1j4s s LEU 99 Cb 0.04 1.91 0.01 0.00 0.50 0.00 0.00 46.19 48.65 1j4s s LEU 99 CO 0.02 -0.23 -0.21 0.28 -1.32 0.00 0.00 176.35 174.89 1j4s s THR 100 N 2.78 2.12 -0.19 3.68 -1.32 0.25 -2.36 115.64 120.60 1j4s s THR 100 Ca -0.00 -0.94 -0.08 0.00 -1.21 0.00 0.00 61.69 59.46 1j4s s THR 100 Cb -0.13 -1.87 -0.04 0.00 -1.51 0.00 0.00 72.50 68.96 1j4s s THR 100 CO -0.17 0.54 0.07 -0.36 -2.21 0.00 0.00 174.62 172.49 1j4s s PHE 101 N 1.00 3.24 -0.05 9.09 0.40 -1.20 -2.88 117.98 127.56 1j4s s PHE 101 Ca -0.02 0.03 -0.03 0.00 -0.60 0.00 0.00 56.93 56.31 1j4s s PHE 101 Cb -0.15 -2.11 -0.04 0.00 0.51 0.00 0.00 43.02 41.24 1j4s s PHE 101 CO -0.06 0.09 0.11 0.15 0.70 0.00 0.00 175.22 176.22 1j4s s LYS 102 N 0.55 3.26 0.20 0.44 1.02 -1.10 -0.41 119.74 123.69 1j4s s LYS 102 Ca 0.03 -0.32 0.06 0.00 0.02 0.00 0.00 55.97 55.77 1j4s s LYS 102 Cb -0.13 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.13 1j4s s LYS 102 CO 0.01 0.71 0.14 0.99 -0.92 0.00 0.00 175.35 176.27 1j4s s THR 103 N -1.13 4.33 0.29 2.17 2.01 0.31 -2.33 115.64 121.30 1j4s s THR 103 Ca 0.20 -1.29 0.21 0.00 0.31 0.00 0.00 61.69 61.12 1j4s s THR 103 Cb -0.12 -3.27 0.19 0.00 0.01 0.00 0.00 72.50 69.32 1j4s s THR 103 CO 0.10 -0.22 1.89 -0.55 -0.69 0.00 0.00 174.62 175.15 1j4s h ASN 104 N 2.05 0.00 0.76 3.53 -0.00 -1.75 -2.73 115.58 117.45 1j4s h ASN 104 Ca -0.48 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.82 1j4s h ASN 104 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 1j4s h ASN 104 CO 0.62 0.26 -0.11 0.29 -0.00 0.00 0.00 177.43 178.49 1j4s n LYS 105 N -3.68 0.15 0.00 4.14 4.76 -1.26 -4.93 118.16 117.34 1j4s n LYS 105 Ca -0.01 -0.03 0.00 0.00 -2.87 0.00 0.00 58.31 55.40 1j4s n LYS 105 Cb 0.38 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.07 1j4s n LYS 105 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1j4s n GLY 106 N 1.44 2.35 3.56 0.72 0.00 -1.03 -5.07 105.19 107.15 1j4s n GLY 106 Ca 0.09 -0.82 -0.46 0.00 0.00 0.00 0.00 46.02 44.83 1j4s n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1j4s n ARG 107 N 0.00 1.11 -3.66 1.61 1.74 -1.26 -4.62 116.66 111.58 1j4s n ARG 107 Ca 0.00 0.39 -0.25 0.00 -0.77 0.00 0.00 57.85 57.22 1j4s n ARG 107 Cb 0.00 -1.71 -0.17 0.00 -1.02 0.00 0.00 32.46 29.56 1j4s n ARG 107 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1j4s s THR 108 N -0.97 0.06 -0.92 0.55 -1.32 -1.26 -0.53 115.64 111.25 1j4s s THR 108 Ca 0.61 -0.09 -0.23 0.00 -1.21 0.00 0.00 61.69 60.76 1j4s s THR 108 Cb -0.75 -0.57 0.06 0.00 -1.51 0.00 0.00 72.50 69.72 1j4s s THR 108 CO 0.59 -0.13 1.33 -0.36 -2.21 0.00 0.00 174.62 173.84 1j4s s PHE 109 N 2.08 2.57 0.02 9.09 0.40 0.45 -4.92 117.98 127.67 1j4s s PHE 109 Ca 0.02 -0.73 -0.03 0.00 -0.60 0.00 0.00 56.93 55.59 1j4s s PHE 109 Cb -0.15 -4.60 -0.02 0.00 0.51 0.00 0.00 43.02 38.76 1j4s s PHE 109 CO -0.07 -1.89 0.06 0.41 0.70 0.00 0.00 175.22 174.43 1j4s n GLY 110 N 6.26 -0.21 2.97 4.36 0.00 -1.26 -3.25 105.19 114.05 1j4s n GLY 110 Ca 0.23 0.04 -0.53 0.00 0.00 0.00 0.00 46.02 45.76 1j4s n GLY 110 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1j4s n PRO 111 N 0.12 0.00 -3.74 1.61 -0.02 -1.26 -4.78 135.00 126.93 1j4s n PRO 111 Ca 0.02 0.00 -0.38 0.00 -2.02 0.00 0.00 63.50 61.12 1j4s n PRO 111 Cb 0.03 -1.21 -0.12 0.00 -0.02 0.00 0.00 33.50 32.18 1j4s n PRO 111 CO 0.00 0.00 0.00 0.71 1.98 0.00 0.00 175.50 178.19 1j4s s TYR 112 N 1.80 3.30 0.00 6.00 2.02 -0.99 -4.86 117.35 124.63 1j4s s TYR 112 Ca 0.82 -1.57 0.00 0.00 -0.37 0.00 0.00 57.07 55.95 1j4s s TYR 112 Cb -1.16 -2.49 0.00 0.00 -0.40 0.00 0.00 41.96 37.91 1j4s s TYR 112 CO 0.61 -0.78 0.00 0.41 -1.57 0.00 0.00 175.55 174.22 1j4s n GLY 113 N 4.80 0.84 3.75 0.71 0.00 -1.26 -2.80 105.19 111.22 1j4s n GLY 113 Ca -0.11 -2.20 -0.37 0.00 0.00 0.00 0.00 46.02 43.34 1j4s n GLY 113 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1j4s s ASP 114 N 0.00 6.53 0.00 1.61 -4.77 -0.77 -4.65 116.67 114.62 1j4s s ASP 114 Ca 0.00 0.63 -0.06 0.00 -3.30 0.00 0.00 52.55 49.82 1j4s s ASP 114 Cb 0.00 -2.20 -0.07 0.00 -1.09 0.00 0.00 42.92 39.56 1j4s s ASP 114 CO 0.00 0.13 1.07 1.21 0.70 0.00 0.00 175.17 178.28 1j4s n GLU 115 N 3.25 0.00 -4.21 2.11 4.07 -1.26 -3.56 120.64 121.05 1j4s n GLU 115 Ca -0.12 -0.57 -0.20 0.00 -0.06 0.00 0.00 57.16 56.21 1j4s n GLU 115 Cb 0.52 -2.05 -0.16 0.00 -0.06 0.00 0.00 31.44 29.68 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 5.23 0.85 0.00 5.31 2.12 -1.26 -5.02 118.70 125.93 1j4s s GLU 116 Ca 0.12 -0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.31 1j4s s GLU 116 Cb 0.03 -0.83 0.00 0.00 0.26 0.00 0.00 34.13 33.58 1j4s s GLU 116 CO 0.06 -0.05 0.00 0.41 -0.54 0.00 0.00 175.26 175.14 1j4s n GLY 117 N 3.90 0.68 3.76 -1.50 0.00 -1.26 -4.17 105.19 106.60 1j4s n GLY 117 Ca -0.24 -2.08 -0.39 0.00 0.00 0.00 0.00 46.02 43.30 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 -1.23 4.71 0.22 2.61 -1.32 -0.33 -4.71 115.64 115.58 1j4s s THR 118 Ca 0.00 1.51 -0.25 0.00 -1.21 0.00 0.00 61.69 61.74 1j4s s THR 118 Cb 0.00 -4.05 -0.09 0.00 -1.51 0.00 0.00 72.50 66.85 1j4s s THR 118 CO 0.00 0.43 0.82 -0.47 -2.21 0.00 0.00 174.62 173.18 1j4s s TYR 119 N -0.41 3.82 0.22 9.09 5.04 -1.26 -1.62 117.35 132.24 1j4s s TYR 119 Ca 0.35 1.64 0.10 0.00 -2.44 0.00 0.00 57.07 56.73 1j4s s TYR 119 Cb -0.20 -2.79 -0.04 0.00 0.35 0.00 0.00 41.96 39.27 1j4s s TYR 119 CO 0.22 0.41 -0.12 -0.59 -1.34 0.00 0.00 175.55 174.13 1j4s s PHE 120 N -1.32 2.52 -0.17 4.97 -0.12 -1.26 -4.90 117.98 117.70 1j4s s PHE 120 Ca 0.41 -0.27 -0.06 0.00 -0.05 0.00 0.00 56.93 56.96 1j4s s PHE 120 Cb -0.21 -1.19 0.08 0.00 -0.63 0.00 0.00 43.02 41.07 1j4s s PHE 120 CO 0.25 0.57 0.35 1.21 -0.05 0.00 0.00 175.22 177.56 1j4s s ASN 121 N -3.10 -0.03 -0.45 1.98 2.47 -1.26 -3.52 114.94 111.02 1j4s s ASN 121 Ca 0.26 0.82 0.04 0.00 0.42 0.00 0.00 52.86 54.40 1j4s s ASN 121 Cb -0.07 1.05 0.12 0.00 -1.45 0.00 0.00 41.25 40.90 1j4s s ASN 121 CO 0.15 -0.23 0.19 -0.22 -3.72 0.00 0.00 177.10 173.27 1j4s s LEU 122 N 2.45 4.23 -0.08 3.21 2.96 -0.95 -5.05 118.68 125.45 1j4s s LEU 122 Ca -0.01 -2.68 -0.19 0.00 -0.22 0.00 0.00 54.13 51.03 1j4s s LEU 122 Cb -0.12 -1.56 -0.05 0.00 0.50 0.00 0.00 46.19 44.97 1j4s s LEU 122 CO -0.11 -0.28 0.52 -2.84 -1.32 0.00 0.00 176.35 172.32 1j4s s PRO 123 N 0.18 4.31 -0.19 0.98 0.02 -1.26 -2.85 135.00 136.18 1j4s s PRO 123 Ca 0.15 0.55 -0.14 0.00 0.02 0.00 0.00 61.00 61.58 1j4s s PRO 123 Cb -0.24 -3.40 -0.04 0.00 0.02 0.00 0.00 34.50 30.84 1j4s s PRO 123 CO -0.03 0.25 0.31 0.42 -0.33 0.00 0.00 177.00 177.61 1j4s s ILE 124 N 0.30 5.27 -0.15 2.83 1.01 -0.11 -4.97 121.20 125.38 1j4s s ILE 124 Ca 0.28 0.54 -0.14 0.00 0.00 0.00 0.00 60.65 61.33 1j4s s ILE 124 Cb -0.16 -3.64 -0.24 0.00 0.01 0.00 0.00 42.46 38.43 1j4s s ILE 124 CO 0.13 0.32 0.34 -0.33 0.00 0.00 0.00 174.94 175.41 1j4s h GLU 125 N 7.12 0.16 -2.93 2.79 5.08 -1.97 -3.47 114.58 121.37 1j4s h GLU 125 Ca -0.38 -0.28 -0.21 0.00 -1.00 0.00 0.00 59.36 57.49 1j4s h GLU 125 Cb 1.16 0.10 -0.31 0.00 0.50 0.00 0.00 28.75 30.21 1j4s h GLU 125 CO 0.72 1.13 -0.51 1.21 -1.00 0.00 0.00 179.01 180.57 1j4s s ASN 126 N -6.97 0.08 0.00 1.42 2.47 -1.26 -5.13 114.94 105.54 1j4s s ASN 126 Ca -0.24 0.57 0.00 0.00 0.42 0.00 0.00 52.86 53.60 1j4s s ASN 126 Cb 0.06 0.57 0.00 0.00 -1.45 0.00 0.00 41.25 40.43 1j4s s ASN 126 CO 0.70 -0.21 0.00 0.61 -3.72 0.00 0.00 177.10 174.48 1j4s n GLY 127 N 4.85 -0.89 3.26 1.21 0.00 -1.26 -5.05 105.19 107.31 1j4s n GLY 127 Ca -0.15 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.24 1j4s n GLY 127 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1j4s s LEU 128 N 0.00 -0.69 0.10 0.99 2.96 0.05 -4.93 118.68 117.18 1j4s s LEU 128 Ca 0.00 0.96 -0.32 0.00 -0.22 0.00 0.00 54.13 54.55 1j4s s LEU 128 Cb 0.00 1.40 -0.11 0.00 0.50 0.00 0.00 46.19 47.98 1j4s s LEU 128 CO 0.00 -0.24 1.82 -0.38 -1.32 0.00 0.00 176.35 176.23 1j4s n ILE 129 N 5.39 0.35 0.00 6.68 5.41 -1.26 -1.93 119.36 134.00 1j4s n ILE 129 Ca -0.08 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.61 1j4s n ILE 129 Cb 0.49 -2.04 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 1j4s n ILE 129 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 1j4s n VAL 130 N 4.62 0.00 -3.58 1.39 0.31 -0.19 -4.55 118.33 116.33 1j4s n VAL 130 Ca 0.18 -0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 64.15 1j4s n VAL 130 Cb 0.36 0.99 -0.03 0.00 -0.91 0.00 0.00 33.84 34.24 1j4s n VAL 130 CO 0.00 0.00 0.00 -0.83 -1.32 0.00 0.00 176.83 174.68 1j4s s GLY 131 N -0.60 -0.26 -0.03 2.92 0.00 -1.26 -0.99 107.32 107.11 1j4s s GLY 131 Ca 0.00 1.83 0.05 0.00 0.00 0.00 0.00 44.72 46.60 1j4s s GLY 131 CO 0.00 0.76 -0.16 -1.36 0.00 0.00 0.00 173.10 172.34 1j4s s PHE 132 N -1.87 2.63 0.36 1.90 0.08 -1.25 -1.76 117.98 118.06 1j4s s PHE 132 Ca 0.04 -0.21 0.05 0.00 0.12 0.00 0.00 56.93 56.93 1j4s s PHE 132 Cb -0.01 -1.58 -0.07 0.00 -0.57 0.00 0.00 43.02 40.80 1j4s s PHE 132 CO -0.04 0.17 0.04 0.21 -0.10 0.00 0.00 175.22 175.51 1j4s s LYS 133 N -0.88 1.79 0.00 0.44 2.20 -0.92 -0.39 119.74 121.98 1j4s s LYS 133 Ca 0.12 -2.01 0.00 0.00 -0.36 0.00 0.00 55.97 53.72 1j4s s LYS 133 Cb -0.11 -1.15 0.00 0.00 -1.51 0.00 0.00 37.83 35.06 1j4s s LYS 133 CO 0.01 -0.15 0.00 0.41 -0.36 0.00 0.00 175.35 175.26 1j4s n GLY 134 N -0.81 -1.17 3.01 5.54 0.00 -0.48 0.10 105.19 111.38 1j4s n GLY 134 Ca -0.04 -1.16 -0.21 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.81 1.04 -0.02 1.61 0.52 -0.11 0.09 118.95 120.27 1j4s s ARG 135 Ca 0.00 -0.34 0.00 0.00 -0.52 0.00 0.00 55.73 54.88 1j4s s ARG 135 Cb 0.00 -0.96 0.02 0.00 0.52 0.00 0.00 34.95 34.52 1j4s s ARG 135 CO 0.00 0.13 0.01 0.99 0.02 0.00 0.00 175.30 176.45 1j4s s THR 136 N 0.17 0.04 0.00 0.02 2.01 -0.64 -1.42 115.64 115.82 1j4s s THR 136 Ca -0.03 0.10 0.00 0.00 0.31 0.00 0.00 61.69 62.07 1j4s s THR 136 Cb -0.09 -0.12 0.00 0.00 0.01 0.00 0.00 72.50 72.30 1j4s s THR 136 CO 0.01 0.08 0.00 0.61 -0.69 0.00 0.00 174.62 174.62 1j4s n GLY 137 N 3.77 1.28 0.11 4.40 0.00 -1.26 -1.52 105.19 111.98 1j4s n GLY 137 Ca -0.22 -0.12 -0.21 0.00 0.00 0.00 0.00 46.02 45.47 1j4s n GLY 137 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1j4s h ASP 138 N 0.00 0.11 -2.99 1.61 3.32 -1.96 -3.45 116.42 113.06 1j4s h ASP 138 Ca 0.00 -0.64 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1j4s h ASP 138 Cb 0.00 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1j4s h ASP 138 CO 0.00 1.56 0.00 0.18 -1.72 0.00 0.00 179.24 179.26 1j4s n LEU 139 N -4.21 0.00 -4.54 1.55 7.99 -1.26 -4.12 117.00 112.40 1j4s n LEU 139 Ca -0.31 0.00 -0.43 0.00 -0.01 0.00 0.00 56.01 55.26 1j4s n LEU 139 Cb 0.76 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 44.02 1j4s n LEU 139 CO 0.26 -0.19 0.52 -0.22 -1.51 0.00 0.00 177.39 176.25 1j4s s LEU 140 N 0.00 4.28 0.29 2.23 2.96 -0.37 -4.54 118.68 123.53 1j4s s LEU 140 Ca 0.00 -0.09 0.15 0.00 -0.22 0.00 0.00 54.13 53.96 1j4s s LEU 140 Cb 0.00 -2.92 0.31 0.00 0.50 0.00 0.00 46.19 44.08 1j4s s LEU 140 CO 0.00 -0.86 1.56 0.44 -1.32 0.00 0.00 176.35 176.17 1j4s h ASP 141 N 8.89 0.00 -4.46 3.68 5.19 -1.55 -2.52 116.42 125.65 1j4s h ASP 141 Ca -0.25 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.28 1j4s h ASP 141 Cb 1.09 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.42 1j4s h ASP 141 CO 0.94 0.55 0.54 0.00 -3.12 0.00 0.00 179.24 178.15 1j4s s ALA 142 N -3.26 -1.88 -0.01 3.45 0.00 -1.15 -0.95 121.76 117.96 1j4s s ALA 142 Ca 0.01 1.24 0.03 0.00 0.00 0.00 0.00 51.96 53.24 1j4s s ALA 142 Cb 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 1j4s s ALA 142 CO 0.74 -0.57 -0.09 -1.50 0.00 0.00 0.00 175.76 174.33 1j4s s ILE 143 N -2.49 0.73 0.28 0.00 2.07 0.41 -0.94 121.20 121.25 1j4s s ILE 143 Ca 0.04 -0.40 0.08 0.00 -1.41 0.00 0.00 60.65 58.95 1j4s s ILE 143 Cb -0.01 -0.61 -0.06 0.00 0.13 0.00 0.00 42.46 41.91 1j4s s ILE 143 CO -0.06 0.20 -0.10 -0.83 -1.91 0.00 0.00 174.94 172.24 1j4s s GLY 144 N -0.24 1.83 -0.05 1.50 0.00 0.29 -2.11 107.32 108.55 1j4s s GLY 144 Ca 0.03 -1.89 0.04 0.00 0.00 0.00 0.00 44.72 42.91 1j4s s GLY 144 CO -0.00 -1.88 -0.18 -0.42 0.00 0.00 0.00 173.10 170.62 1j4s s ILE 145 N -2.87 1.53 0.00 0.90 1.09 0.41 -2.17 121.20 120.10 1j4s s ILE 145 Ca 0.29 -0.76 -0.01 0.00 -1.10 0.00 0.00 60.65 59.07 1j4s s ILE 145 Cb 0.02 -1.32 -0.04 0.00 -1.06 0.00 0.00 42.46 40.06 1j4s s ILE 145 CO 0.12 0.44 0.11 -1.00 -0.10 0.00 0.00 174.94 174.51 1j4s s HIS 146 N 0.12 3.36 0.02 3.97 3.76 -0.73 -2.18 115.29 123.61 1j4s s HIS 146 Ca -0.07 0.24 -0.06 0.00 -0.15 0.00 0.00 55.06 55.02 1j4s s HIS 146 Cb -0.13 -1.75 -0.00 0.00 1.11 0.00 0.00 32.58 31.80 1j4s s HIS 146 CO 0.03 0.58 0.11 -1.64 -0.85 0.00 0.00 174.74 172.97 1j4s s MET 147 N -1.88 0.50 0.00 1.40 1.00 -0.27 -1.02 119.30 119.02 1j4s s MET 147 Ca 0.25 -0.53 0.00 0.00 0.00 0.00 0.00 55.69 55.42 1j4s s MET 147 Cb -0.12 0.20 0.00 0.00 0.00 0.00 0.00 34.83 34.91 1j4s s MET 147 CO 0.17 -0.12 0.00 0.45 0.00 0.00 0.00 175.02 175.52 1j4s n SER 148 N 1.25 0.00 0.00 3.03 2.88 -0.81 -2.59 113.62 117.38 1j4s n SER 148 Ca -0.22 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1j4s n SER 148 Cb 0.56 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.02 1j4s n SER 148 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99