#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1j4t n GLN 3 N 0.00 2.59 -3.49 4.33 10.64 -1.26 -5.12 117.38 125.08 1j4t n GLN 3 Ca 0.00 0.00 -0.11 0.00 -1.83 0.00 0.00 57.00 55.06 1j4t n GLN 3 Cb 0.00 0.00 -0.03 0.00 -0.86 0.00 0.00 30.24 29.35 1j4t n GLN 3 CO 0.00 0.00 0.00 -0.08 -1.83 0.00 0.00 177.06 175.15 1j4t s THR 4 N -0.20 0.00 0.21 -0.39 -1.32 -1.26 -5.11 115.64 107.57 1j4t s THR 4 Ca 0.00 0.00 -0.30 0.00 -1.21 0.00 0.00 61.69 60.18 1j4t s THR 4 Cb 0.00 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.90 1j4t s THR 4 CO 0.00 0.00 1.28 -0.63 -2.21 0.00 0.00 174.62 173.06 1j4t s ILE 5 N -2.80 3.25 -0.26 5.08 1.01 -1.18 -4.85 121.20 121.43 1j4t s ILE 5 Ca 0.01 1.06 0.02 0.00 0.00 0.00 0.00 60.65 61.74 1j4t s ILE 5 Cb -0.01 -3.68 0.07 0.00 0.01 0.00 0.00 42.46 38.85 1j4t s ILE 5 CO -0.06 0.17 -0.07 -0.89 0.00 0.00 0.00 174.94 174.09 1j4t s THR 6 N -0.09 1.97 -0.23 2.92 2.01 -1.26 -0.48 115.64 120.47 1j4t s THR 6 Ca 0.55 -1.61 -0.13 0.00 0.31 0.00 0.00 61.69 60.81 1j4t s THR 6 Cb -0.36 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 69.93 1j4t s THR 6 CO 0.39 -0.14 0.27 0.54 -0.69 0.00 0.00 174.62 174.99 1j4t s VAL 7 N 1.17 5.28 0.00 3.82 0.11 0.16 -4.91 120.40 126.03 1j4t s VAL 7 Ca -0.05 0.41 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 1j4t s VAL 7 Cb -0.19 -3.61 0.00 0.00 -1.53 0.00 0.00 36.38 31.05 1j4t s VAL 7 CO -0.06 0.28 0.00 0.61 -3.33 0.00 0.00 175.10 172.60 1j4t n GLY 8 N 4.29 2.48 0.00 6.54 0.00 -1.26 -1.61 105.19 115.63 1j4t n GLY 8 Ca -0.12 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.43 1j4t n GLY 8 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1j4t n SER 9 N 1.40 0.00 -4.76 1.61 2.88 -1.24 -4.82 113.62 108.69 1j4t n SER 9 Ca 0.00 0.00 -0.37 0.00 -1.33 0.00 0.00 58.87 57.17 1j4t n SER 9 Cb 0.00 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.39 1j4t n SER 9 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 1j4t s TRP 10 N 0.00 3.53 -2.50 0.66 0.51 0.71 -4.81 118.94 117.05 1j4t s TRP 10 Ca 0.00 0.72 0.00 0.00 -2.12 0.00 0.00 56.10 54.70 1j4t s TRP 10 Cb 0.00 -2.34 0.00 0.00 -0.81 0.00 0.00 33.47 30.32 1j4t s TRP 10 CO 0.00 0.34 0.00 0.41 -0.51 0.00 0.00 176.95 177.19 1j4t n GLY 11 N 2.95 0.70 3.89 0.98 0.00 -1.26 -1.52 105.19 110.94 1j4t n GLY 11 Ca -0.12 -2.12 -0.29 0.00 0.00 0.00 0.00 46.02 43.49 1j4t n GLY 11 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1j4t s GLY 12 N 0.00 1.62 -0.07 -0.02 0.00 -1.01 -4.91 107.32 102.94 1j4t s GLY 12 Ca 0.00 -0.41 0.12 0.00 0.00 0.00 0.00 44.72 44.43 1j4t s GLY 12 CO 0.00 -0.07 1.31 -1.55 0.00 0.00 0.00 173.10 172.79 1j4t n PRO 13 N -2.87 2.67 -2.44 2.90 -0.04 -1.26 -4.18 135.00 129.77 1j4t n PRO 13 Ca 0.06 -1.79 -0.24 0.00 -0.04 0.00 0.00 63.50 61.49 1j4t n PRO 13 Cb 0.57 -1.63 0.09 0.00 -0.04 0.00 0.00 33.50 32.49 1j4t n PRO 13 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1j4t s GLY 14 N -0.77 1.76 0.00 0.55 0.00 -1.26 -5.02 107.32 102.59 1j4t s GLY 14 Ca 0.32 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1j4t s GLY 14 CO 0.16 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.95 1j4t n GLY 15 N -2.84 -0.29 3.64 0.20 0.00 -1.26 -4.72 105.19 99.91 1j4t n GLY 15 Ca 0.12 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 1j4t n GLY 15 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1j4t s ASN 16 N -2.37 6.65 0.72 1.61 -0.87 0.25 -4.76 114.94 116.16 1j4t s ASN 16 Ca 0.00 0.80 -0.14 0.00 -1.57 0.00 0.00 52.86 51.94 1j4t s ASN 16 Cb 0.00 -2.36 0.03 0.00 -0.02 0.00 0.00 41.25 38.90 1j4t s ASN 16 CO 0.00 -0.38 1.16 -0.83 -2.57 0.00 0.00 177.10 174.49 1j4t s GLY 17 N 1.39 2.21 -0.01 0.66 0.00 -1.26 -0.86 107.32 109.44 1j4t s GLY 17 Ca 0.28 0.72 -0.14 0.00 0.00 0.00 0.00 44.72 45.58 1j4t s GLY 17 CO 0.09 1.10 0.29 0.66 0.00 0.00 0.00 173.10 175.24 1j4t s TRP 18 N -2.19 -0.16 -0.21 1.90 -2.14 -0.82 -4.86 118.94 110.46 1j4t s TRP 18 Ca 0.71 0.21 -0.01 0.00 2.66 0.00 0.00 56.10 59.67 1j4t s TRP 18 Cb -0.25 0.08 0.06 0.00 -3.10 0.00 0.00 33.47 30.26 1j4t s TRP 18 CO 0.45 -0.39 -0.01 0.34 -2.66 0.00 0.00 176.95 174.69 1j4t s ASP 19 N -1.37 3.34 0.46 -2.66 -1.08 -1.26 -1.70 116.67 112.40 1j4t s ASP 19 Ca -0.13 -0.98 0.25 0.00 -0.52 0.00 0.00 52.55 51.17 1j4t s ASP 19 Cb -0.05 -0.88 1.02 0.00 -1.46 0.00 0.00 42.92 41.54 1j4t s ASP 19 CO 0.04 -0.27 1.86 -0.33 0.52 0.00 0.00 175.17 176.99 1j4t h GLU 20 N 8.10 0.00 0.00 4.34 5.08 -0.94 -3.48 114.58 127.68 1j4t h GLU 20 Ca -0.17 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1j4t h GLU 20 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 1j4t h GLU 20 CO 0.37 0.19 0.00 0.41 -1.00 0.00 0.00 179.01 178.98 1j4t n GLY 21 N 0.07 1.76 3.91 -3.84 0.00 -1.26 -4.90 105.19 100.93 1j4t n GLY 21 Ca 0.00 -2.02 -0.27 0.00 0.00 0.00 0.00 46.02 43.72 1j4t n GLY 21 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1j4t s SER 22 N 0.00 6.21 0.06 1.61 1.04 -1.26 -3.61 113.70 117.76 1j4t s SER 22 Ca 0.00 0.15 -0.01 0.00 0.48 0.00 0.00 55.95 56.57 1j4t s SER 22 Cb 0.00 -1.85 0.00 0.00 0.10 0.00 0.00 66.02 64.27 1j4t s SER 22 CO 0.00 0.09 0.10 -1.22 0.98 0.00 0.00 173.24 173.19 1j4t n TYR 23 N -0.28 -0.75 0.19 5.02 4.02 0.31 -4.91 117.16 120.76 1j4t n TYR 23 Ca -0.07 -0.40 0.08 0.00 -0.01 0.00 0.00 57.90 57.50 1j4t n TYR 23 Cb 0.53 0.11 0.17 0.00 -0.02 0.00 0.00 39.34 40.14 1j4t n TYR 23 CO 0.00 0.00 0.00 1.15 -1.01 0.00 0.00 176.86 177.00 1j4t h THR 24 N 1.18 0.44 0.00 -0.72 2.02 -1.75 -3.46 112.91 110.62 1j4t h THR 24 Ca -0.05 -1.51 0.00 0.00 0.77 0.00 0.00 66.41 65.62 1j4t h THR 24 Cb 0.21 2.13 0.00 0.00 -1.74 0.00 0.00 68.15 68.75 1j4t h THR 24 CO 0.07 0.24 0.00 0.61 0.37 0.00 0.00 175.52 176.81 1j4t n GLY 25 N 0.97 -0.67 3.22 2.16 0.00 -1.25 -4.95 105.19 104.66 1j4t n GLY 25 Ca 0.02 -1.22 -0.33 0.00 0.00 0.00 0.00 46.02 44.49 1j4t n GLY 25 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1j4t s ILE 26 N -2.00 2.37 -0.20 -0.61 1.01 -1.26 -2.02 121.20 118.50 1j4t s ILE 26 Ca 0.00 -0.87 -0.15 0.00 0.00 0.00 0.00 60.65 59.62 1j4t s ILE 26 Cb 0.00 -1.98 -0.09 0.00 0.01 0.00 0.00 42.46 40.40 1j4t s ILE 26 CO 0.00 0.53 -0.18 0.54 0.00 0.00 0.00 174.94 175.83 1j4t n ARG 27 N 4.07 0.53 -4.11 2.79 1.74 -0.92 -4.71 116.66 116.05 1j4t n ARG 27 Ca -0.19 0.39 -0.10 0.00 -0.77 0.00 0.00 57.85 57.18 1j4t n ARG 27 Cb 0.52 -1.59 -0.10 0.00 -1.02 0.00 0.00 32.46 30.27 1j4t n ARG 27 CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 1j4t s GLN 28 N -2.51 0.67 -0.34 5.56 -2.07 -0.85 -1.43 119.66 118.69 1j4t s GLN 28 Ca -0.27 -1.13 0.01 0.00 -1.82 0.00 0.00 55.36 52.14 1j4t s GLN 28 Cb 0.06 -0.07 0.10 0.00 -1.09 0.00 0.00 33.01 32.02 1j4t s GLN 28 CO 0.42 -0.04 0.11 0.42 -1.32 0.00 0.00 175.29 174.88 1j4t s ILE 29 N -3.12 1.34 0.10 3.63 1.01 -0.82 -1.03 121.20 122.32 1j4t s ILE 29 Ca 0.04 -1.83 -0.25 0.00 0.00 0.00 0.00 60.65 58.60 1j4t s ILE 29 Cb 0.02 -2.00 -0.07 0.00 0.01 0.00 0.00 42.46 40.43 1j4t s ILE 29 CO -0.05 -0.69 0.78 -0.70 0.00 0.00 0.00 174.94 174.29 1j4t s GLU 30 N 1.23 4.54 0.01 2.79 2.12 -0.13 -2.31 118.70 126.95 1j4t s GLU 30 Ca 0.11 1.13 -0.11 0.00 0.36 0.00 0.00 54.97 56.47 1j4t s GLU 30 Cb -0.19 -3.32 0.01 0.00 0.26 0.00 0.00 34.13 30.89 1j4t s GLU 30 CO -0.17 0.41 0.22 -0.48 -0.54 0.00 0.00 175.26 174.69 1j4t s LEU 31 N -0.54 1.24 -0.12 2.70 0.05 -0.81 -1.79 118.68 119.41 1j4t s LEU 31 Ca 0.38 -0.15 0.02 0.00 0.05 0.00 0.00 54.13 54.43 1j4t s LEU 31 Cb -0.22 0.98 -0.01 0.00 -2.05 0.00 0.00 46.19 44.90 1j4t s LEU 31 CO 0.25 -0.46 -0.19 -0.94 -0.55 0.00 0.00 176.35 174.46 1j4t s SER 32 N -1.58 3.49 0.16 1.48 1.04 -0.79 -1.08 113.70 116.41 1j4t s SER 32 Ca -0.11 -0.46 0.04 0.00 0.48 0.00 0.00 55.95 55.89 1j4t s SER 32 Cb -0.05 -1.50 -0.05 0.00 0.10 0.00 0.00 66.02 64.53 1j4t s SER 32 CO 0.01 0.16 -0.06 -0.72 0.98 0.00 0.00 173.24 173.60 1j4t s TYR 33 N 0.39 1.27 0.00 5.02 1.13 0.16 0.99 117.35 126.31 1j4t s TYR 33 Ca -0.15 -0.85 0.00 0.00 -1.41 0.00 0.00 57.07 54.67 1j4t s TYR 33 Cb -0.17 -0.69 0.00 0.00 -1.10 0.00 0.00 41.96 40.01 1j4t s TYR 33 CO 0.07 -0.01 0.00 1.17 -2.51 0.00 0.00 175.55 174.27 1j4t n LYS 34 N -0.23 0.00 0.00 -3.49 3.00 -1.26 0.99 118.16 117.17 1j4t n LYS 34 Ca -0.09 0.00 0.04 0.00 -0.00 0.00 0.00 58.31 58.26 1j4t n LYS 34 Cb 0.62 0.00 -0.03 0.00 0.00 0.00 0.00 35.03 35.62 1j4t n LYS 34 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1j4t n GLU 35 N -2.09 3.80 -3.53 1.64 4.71 -1.26 -4.01 120.64 119.90 1j4t n GLU 35 Ca 0.00 -0.16 -0.10 0.00 -0.01 0.00 0.00 57.16 56.89 1j4t n GLU 35 Cb 0.00 -0.91 -0.02 0.00 -1.01 0.00 0.00 31.44 29.50 1j4t n GLU 35 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1j4t s ALA 36 N -1.57 -1.55 0.33 0.62 0.00 -1.24 -3.62 121.76 114.74 1j4t s ALA 36 Ca 0.04 0.38 -0.26 0.00 0.00 0.00 0.00 51.96 52.13 1j4t s ALA 36 Cb 0.06 0.82 -0.10 0.00 0.00 0.00 0.00 23.12 23.90 1j4t s ALA 36 CO 0.28 -0.82 0.95 0.42 0.00 0.00 0.00 175.76 176.58 1j4t s ILE 37 N -3.69 4.22 0.00 0.00 -1.09 -0.93 -4.58 121.20 115.14 1j4t s ILE 37 Ca 0.04 1.79 0.00 0.00 -2.23 0.00 0.00 60.65 60.25 1j4t s ILE 37 Cb -0.02 -3.97 0.00 0.00 -1.58 0.00 0.00 42.46 36.89 1j4t s ILE 37 CO -0.08 0.10 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 1j4t n GLY 38 N 0.44 0.51 3.76 6.18 0.00 0.28 -2.77 105.19 113.58 1j4t n GLY 38 Ca 0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.68 1j4t n GLY 38 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1j4t s SER 39 N 0.52 5.47 -0.18 1.61 0.01 -1.23 -4.24 113.70 115.66 1j4t s SER 39 Ca 0.00 2.40 -0.07 0.00 1.31 0.00 0.00 55.95 59.59 1j4t s SER 39 Cb 0.00 -2.60 0.08 0.00 0.21 0.00 0.00 66.02 63.70 1j4t s SER 39 CO 0.00 -1.41 0.40 0.12 0.41 0.00 0.00 173.24 172.76 1j4t s PHE 40 N -1.56 -0.68 -0.27 2.43 5.36 0.11 -1.88 117.98 121.49 1j4t s PHE 40 Ca 0.73 1.37 -0.23 0.00 -0.96 0.00 0.00 56.93 57.84 1j4t s PHE 40 Cb -0.31 0.25 0.08 0.00 -0.34 0.00 0.00 43.02 42.71 1j4t s PHE 40 CO 0.35 -0.41 0.77 -1.54 -1.46 0.00 0.00 175.22 172.92 1j4t s SER 41 N 2.13 -0.74 0.09 6.13 1.04 -0.74 -1.17 113.70 120.44 1j4t s SER 41 Ca -0.04 1.36 0.09 0.00 0.48 0.00 0.00 55.95 57.84 1j4t s SER 41 Cb -0.11 1.36 -0.04 0.00 0.10 0.00 0.00 66.02 67.34 1j4t s SER 41 CO -0.12 -0.23 -0.23 0.54 0.98 0.00 0.00 173.24 174.18 1j4t s VAL 42 N 0.62 2.50 -0.46 5.02 0.11 -1.26 -0.96 120.40 125.97 1j4t s VAL 42 Ca -0.02 -1.48 -0.20 0.00 -2.93 0.00 0.00 61.98 57.35 1j4t s VAL 42 Cb -0.05 -2.08 0.03 0.00 -1.53 0.00 0.00 36.38 32.75 1j4t s VAL 42 CO -0.04 0.21 0.61 -0.63 -3.33 0.00 0.00 175.10 171.92 1j4t s ILE 43 N -0.99 4.87 0.43 7.04 1.09 -0.20 -1.32 121.20 132.11 1j4t s ILE 43 Ca 0.15 -0.12 -0.03 0.00 -1.10 0.00 0.00 60.65 59.55 1j4t s ILE 43 Cb -0.10 -4.21 -0.03 0.00 -1.06 0.00 0.00 42.46 37.05 1j4t s ILE 43 CO 0.06 -0.64 0.68 -0.31 -0.10 0.00 0.00 174.94 174.63 1j4t s TYR 44 N 2.69 3.52 -0.12 3.97 2.02 0.01 -2.00 117.35 127.44 1j4t s TYR 44 Ca 0.19 0.59 -0.13 0.00 -0.37 0.00 0.00 57.07 57.35 1j4t s TYR 44 Cb -0.16 -2.14 -0.05 0.00 -0.40 0.00 0.00 41.96 39.21 1j4t s TYR 44 CO 0.16 -0.13 0.30 0.34 -1.57 0.00 0.00 175.55 174.65 1j4t s ASP 45 N -4.09 6.51 -0.59 2.29 2.15 -0.85 0.24 116.67 122.33 1j4t s ASP 45 Ca 0.44 0.61 0.04 0.00 0.43 0.00 0.00 52.55 54.07 1j4t s ASP 45 Cb -0.10 -2.18 0.15 0.00 -0.30 0.00 0.00 42.92 40.49 1j4t s ASP 45 CO 0.41 0.20 0.36 -0.22 -0.17 0.00 0.00 175.17 175.75 1j4t s LEU 46 N -0.11 4.40 -1.26 -1.34 2.96 0.17 -2.69 118.68 120.82 1j4t s LEU 46 Ca 0.18 -3.36 -0.00 0.00 -0.22 0.00 0.00 54.13 50.73 1j4t s LEU 46 Cb -0.14 -1.59 -0.00 0.00 0.50 0.00 0.00 46.19 44.96 1j4t s LEU 46 CO 0.06 -0.17 0.82 0.59 -1.32 0.00 0.00 176.35 176.33 1j4t n ASN 47 N 2.63 -1.61 0.00 3.68 5.03 -1.26 -2.83 115.26 120.90 1j4t n ASN 47 Ca 0.12 -0.74 0.00 0.00 0.87 0.00 0.00 54.58 54.83 1j4t n ASN 47 Cb 0.34 -4.49 0.00 0.00 -1.02 0.00 0.00 39.78 34.60 1j4t n ASN 47 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1j4t n GLY 48 N -1.39 2.95 3.32 7.41 0.00 -1.26 -5.07 105.19 111.15 1j4t n GLY 48 Ca -0.29 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.45 1j4t n GLY 48 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 49 N -0.96 2.94 0.64 1.61 1.01 -1.13 -5.10 116.67 115.67 1j4t s ASP 49 Ca 0.00 -0.59 -0.18 0.00 0.71 0.00 0.00 52.55 52.49 1j4t s ASP 49 Cb 0.00 -0.25 -0.01 0.00 1.01 0.00 0.00 42.92 43.67 1j4t s ASP 49 CO 0.00 0.21 1.23 -2.16 0.21 0.00 0.00 175.17 174.66 1j4t s PRO 50 N -1.34 2.65 -0.06 8.23 0.04 -1.26 0.46 135.00 143.72 1j4t s PRO 50 Ca 0.10 1.88 -0.02 0.00 0.04 0.00 0.00 61.00 63.00 1j4t s PRO 50 Cb -0.10 -1.88 0.04 0.00 0.04 0.00 0.00 34.50 32.60 1j4t s PRO 50 CO 0.02 -1.47 0.07 0.12 0.04 0.00 0.00 177.00 175.79 1j4t s PHE 51 N -1.63 0.06 -0.57 0.56 5.36 0.65 -4.72 117.98 117.68 1j4t s PHE 51 Ca 0.78 0.22 -0.26 0.00 -0.96 0.00 0.00 56.93 56.70 1j4t s PHE 51 Cb -0.32 -0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 41.83 1j4t s PHE 51 CO 0.38 -0.24 2.04 -1.12 -1.46 0.00 0.00 175.22 174.82 1j4t s SER 52 N 2.18 5.00 1.03 6.13 0.01 -1.26 -0.81 113.70 125.98 1j4t s SER 52 Ca 0.05 0.57 -0.12 0.00 1.31 0.00 0.00 55.95 57.75 1j4t s SER 52 Cb -0.13 -2.52 0.21 0.00 0.21 0.00 0.00 66.02 63.79 1j4t s SER 52 CO -0.04 -2.54 1.07 -0.83 0.41 0.00 0.00 173.24 171.31 1j4t s GLY 53 N 9.41 1.58 0.48 3.44 0.00 -0.44 -4.89 107.32 116.91 1j4t s GLY 53 Ca 0.77 -0.07 -0.24 0.00 0.00 0.00 0.00 44.72 45.18 1j4t s GLY 53 CO 0.22 0.53 1.35 -1.05 0.00 0.00 0.00 173.10 174.15 1j4t n PRO 54 N -4.43 1.94 -3.00 2.90 -0.02 -1.26 -4.75 135.00 126.38 1j4t n PRO 54 Ca 0.05 0.70 -0.41 0.00 -2.02 0.00 0.00 63.50 61.82 1j4t n PRO 54 Cb 0.55 -2.53 -0.05 0.00 -0.02 0.00 0.00 33.50 31.45 1j4t n PRO 54 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 1j4t s LYS 55 N -2.53 4.19 -0.56 -0.52 -0.14 -1.26 -4.47 119.74 114.45 1j4t s LYS 55 Ca 0.65 0.77 -0.06 0.00 -1.36 0.00 0.00 55.97 55.97 1j4t s LYS 55 Cb -0.45 -3.62 0.15 0.00 -1.68 0.00 0.00 37.83 32.23 1j4t s LYS 55 CO 0.55 -0.39 0.41 -1.01 -0.76 0.00 0.00 175.35 174.15 1j4t s HIS 56 N 2.40 3.49 0.46 3.18 3.76 -0.32 -4.99 115.29 123.28 1j4t s HIS 56 Ca 0.32 -2.29 -0.07 0.00 -0.15 0.00 0.00 55.06 52.87 1j4t s HIS 56 Cb -0.16 -3.39 -0.04 0.00 1.11 0.00 0.00 32.58 30.10 1j4t s HIS 56 CO 0.09 -0.94 0.78 0.95 -0.85 0.00 0.00 174.74 174.78 1j4t s THR 57 N 0.65 4.87 0.09 1.30 -4.23 -1.26 0.10 115.64 117.16 1j4t s THR 57 Ca 0.12 0.34 0.08 0.00 -1.18 0.00 0.00 61.69 61.05 1j4t s THR 57 Cb -0.21 -3.83 -0.03 0.00 1.34 0.00 0.00 72.50 69.77 1j4t s THR 57 CO -0.03 -0.76 -0.22 -0.94 -0.54 0.00 0.00 174.62 172.13 1j4t s SER 58 N -3.82 2.61 0.04 3.99 1.04 -1.26 -4.69 113.70 111.61 1j4t s SER 58 Ca 0.49 -0.65 0.27 0.00 0.48 0.00 0.00 55.95 56.53 1j4t s SER 58 Cb -0.10 -0.16 0.88 0.00 0.10 0.00 0.00 66.02 66.73 1j4t s SER 58 CO 0.41 0.10 1.70 2.29 0.98 0.00 0.00 173.24 178.72 1j4t n LYS 59 N 1.26 0.07 -1.74 4.02 0.00 -1.26 -4.74 118.16 115.77 1j4t n LYS 59 Ca -0.19 0.04 -0.38 0.00 -0.00 0.00 0.00 58.31 57.79 1j4t n LYS 59 Cb 0.53 -1.56 0.06 0.00 -0.00 0.00 0.00 35.03 34.06 1j4t n LYS 59 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1j4t n LEU 60 N -1.68 5.87 -3.44 -5.58 7.99 -1.26 -4.86 117.00 114.04 1j4t n LEU 60 Ca 0.06 0.89 -0.40 0.00 -0.01 0.00 0.00 56.01 56.55 1j4t n LEU 60 Cb 0.36 -1.57 -0.02 0.00 -0.11 0.00 0.00 43.42 42.09 1j4t n LEU 60 CO 0.31 -0.82 3.13 -0.81 -1.51 0.00 0.00 177.39 177.69 1j4t n PRO 61 N -1.55 3.55 -3.98 3.23 -0.04 -1.26 -4.94 135.00 130.01 1j4t n PRO 61 Ca 0.14 -2.42 -0.23 0.00 -0.04 0.00 0.00 63.50 60.95 1j4t n PRO 61 Cb 0.47 -2.92 -0.03 0.00 -0.04 0.00 0.00 33.50 30.98 1j4t n PRO 61 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 62 N 2.17 3.42 0.38 0.54 1.51 -1.26 -4.96 117.35 119.14 1j4t s TYR 62 Ca 0.62 0.01 -0.26 0.00 -1.01 0.00 0.00 57.07 56.44 1j4t s TYR 62 Cb 0.17 -1.58 -0.09 0.00 -0.11 0.00 0.00 41.96 40.35 1j4t s TYR 62 CO -0.07 0.47 1.17 -1.59 -1.11 0.00 0.00 175.55 174.43 1j4t s LYS 63 N -3.70 4.15 0.11 -0.62 0.00 0.28 -4.65 119.74 115.30 1j4t s LYS 63 Ca 0.34 1.86 -0.05 0.00 0.00 0.00 0.00 55.97 58.12 1j4t s LYS 63 Cb -0.10 -2.76 -0.05 0.00 0.00 0.00 0.00 37.83 34.92 1j4t s LYS 63 CO 0.28 -0.25 0.35 -0.80 0.00 0.00 0.00 175.35 174.94 1j4t s ASN 64 N -1.06 6.50 -0.13 0.03 0.02 -1.26 0.40 114.94 119.44 1j4t s ASN 64 Ca 0.55 0.58 -0.08 0.00 -1.02 0.00 0.00 52.86 52.90 1j4t s ASN 64 Cb -0.31 -2.09 0.05 0.00 0.02 0.00 0.00 41.25 38.91 1j4t s ASN 64 CO 0.40 0.10 0.31 0.68 0.02 0.00 0.00 177.10 178.61 1j4t s VAL 65 N -1.57 -0.03 -0.18 1.60 -7.23 -0.25 -4.94 120.40 107.81 1j4t s VAL 65 Ca 0.38 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.58 1j4t s VAL 65 Cb -0.13 -0.46 -0.04 0.00 0.56 0.00 0.00 36.38 36.32 1j4t s VAL 65 CO 0.23 0.04 0.04 -1.59 -0.31 0.00 0.00 175.10 173.51 1j4t s LYS 66 N 1.03 3.91 -0.46 4.82 0.00 -1.26 -1.93 119.74 125.84 1j4t s LYS 66 Ca -0.07 -0.38 -0.10 0.00 0.00 0.00 0.00 55.97 55.42 1j4t s LYS 66 Cb -0.08 -3.15 0.11 0.00 0.00 0.00 0.00 37.83 34.72 1j4t s LYS 66 CO -0.08 0.27 0.34 0.42 0.00 0.00 0.00 175.35 176.30 1j4t s ILE 67 N 0.35 4.29 -0.50 3.79 1.01 -0.98 -4.96 121.20 124.20 1j4t s ILE 67 Ca 0.01 -1.67 -0.19 0.00 0.00 0.00 0.00 60.65 58.80 1j4t s ILE 67 Cb -0.13 -3.77 0.06 0.00 0.01 0.00 0.00 42.46 38.63 1j4t s ILE 67 CO 0.01 -0.72 0.63 -0.70 0.00 0.00 0.00 174.94 174.16 1j4t s GLU 68 N 1.39 3.13 0.27 2.79 2.56 -1.26 -1.95 118.70 125.64 1j4t s GLU 68 Ca 0.05 -0.86 -0.12 0.00 0.00 0.00 0.00 54.97 54.04 1j4t s GLU 68 Cb -0.26 -4.09 -0.08 0.00 2.00 0.00 0.00 34.13 31.70 1j4t s GLU 68 CO 0.00 -1.22 0.64 -0.51 -0.56 0.00 0.00 175.26 173.62 1j4t s LEU 69 N 2.66 4.12 -1.29 2.70 1.02 -0.51 -5.00 118.68 122.37 1j4t s LEU 69 Ca 0.16 1.10 -0.09 0.00 0.02 0.00 0.00 54.13 55.31 1j4t s LEU 69 Cb -0.19 -3.87 0.16 0.00 0.02 0.00 0.00 46.19 42.31 1j4t s LEU 69 CO 0.12 -0.13 1.92 0.29 0.02 0.00 0.00 176.35 178.57 1j4t n LYS 70 N -0.23 3.64 -2.04 1.70 4.01 -1.26 -4.89 118.16 119.09 1j4t n LYS 70 Ca 0.02 -3.48 -0.40 0.00 -0.51 0.00 0.00 58.31 53.94 1j4t n LYS 70 Cb 0.53 -2.92 -0.01 0.00 -0.51 0.00 0.00 35.03 32.11 1j4t n LYS 70 CO 0.00 0.00 0.00 0.12 -1.11 0.00 0.00 177.40 176.41 1j4t s PHE 71 N 0.41 2.90 -0.50 2.13 5.36 -1.25 -0.44 117.98 126.58 1j4t s PHE 71 Ca 0.41 1.37 0.22 0.00 -0.96 0.00 0.00 56.93 57.97 1j4t s PHE 71 Cb 0.10 -3.74 -0.08 0.00 -0.34 0.00 0.00 43.02 38.96 1j4t s PHE 71 CO -0.00 -2.14 0.89 -0.35 -1.46 0.00 0.00 175.22 172.16 1j4t n PRO 72 N 0.54 0.36 -0.35 10.12 -0.04 -1.26 -4.82 135.00 139.55 1j4t n PRO 72 Ca 0.01 -0.04 0.04 0.00 -0.04 0.00 0.00 63.50 63.47 1j4t n PRO 72 Cb 0.42 -1.58 0.21 0.00 -0.04 0.00 0.00 33.50 32.50 1j4t n PRO 72 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1j4t h ASP 73 N 0.00 0.99 -3.41 3.54 3.32 -1.87 -3.42 116.42 115.56 1j4t h ASP 73 Ca 0.00 0.02 -0.66 0.00 0.02 0.00 0.00 57.03 56.41 1j4t h ASP 73 Cb 0.78 -0.19 -0.21 0.00 0.22 0.00 0.00 39.33 39.93 1j4t h ASP 73 CO 0.00 0.61 -0.68 -0.70 -1.72 0.00 0.00 179.24 176.75 1j4t s GLU 74 N -5.99 3.32 0.10 3.56 2.12 0.41 -4.88 118.70 117.35 1j4t s GLU 74 Ca -0.12 -0.53 -0.04 0.00 0.36 0.00 0.00 54.97 54.64 1j4t s GLU 74 Cb 0.20 -2.78 -0.03 0.00 0.26 0.00 0.00 34.13 31.78 1j4t s GLU 74 CO 0.81 0.40 0.09 -0.59 -0.54 0.00 0.00 175.26 175.43 1j4t s PHE 75 N -0.09 0.53 0.30 5.30 -0.12 -1.26 -3.97 117.98 118.66 1j4t s PHE 75 Ca 0.01 -0.97 -0.29 0.00 -0.05 0.00 0.00 56.93 55.63 1j4t s PHE 75 Cb -0.13 -0.30 -0.10 0.00 -0.63 0.00 0.00 43.02 41.86 1j4t s PHE 75 CO 0.03 -0.51 1.37 -0.51 -0.05 0.00 0.00 175.22 175.55 1j4t s LEU 76 N -2.95 4.40 0.00 -1.99 1.02 -1.26 -1.29 118.68 116.60 1j4t s LEU 76 Ca 0.13 2.69 0.02 0.00 0.02 0.00 0.00 54.13 57.00 1j4t s LEU 76 Cb 0.06 -3.64 -0.03 0.00 0.02 0.00 0.00 46.19 42.61 1j4t s LEU 76 CO -0.05 -0.62 0.11 1.21 0.02 0.00 0.00 176.35 177.02 1j4t n GLU 77 N 1.45 6.10 -3.63 1.70 2.13 0.14 -4.74 120.64 123.78 1j4t n GLU 77 Ca 0.03 -0.01 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 1j4t n GLU 77 Cb 0.41 -0.62 -0.07 0.00 0.27 0.00 0.00 31.44 31.43 1j4t n GLU 77 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 1j4t s SER 78 N -1.22 -0.71 -0.08 4.31 0.15 -1.10 -2.22 113.70 112.83 1j4t s SER 78 Ca 0.01 1.34 0.01 0.00 0.70 0.00 0.00 55.95 58.01 1j4t s SER 78 Cb 0.02 1.35 0.02 0.00 -1.71 0.00 0.00 66.02 65.70 1j4t s SER 78 CO 0.10 -0.23 -0.11 -0.69 1.20 0.00 0.00 173.24 173.52 1j4t s VAL 79 N 0.47 1.10 0.22 4.45 1.01 -0.98 -2.02 120.40 124.66 1j4t s VAL 79 Ca -0.00 -0.41 -0.08 0.00 0.00 0.00 0.00 61.98 61.48 1j4t s VAL 79 Cb -0.05 -1.05 -0.02 0.00 0.00 0.00 0.00 36.38 35.26 1j4t s VAL 79 CO -0.02 0.36 0.33 -0.94 0.00 0.00 0.00 175.10 174.83 1j4t s SER 80 N 1.05 0.01 0.00 3.32 1.04 -0.64 -1.86 113.70 116.62 1j4t s SER 80 Ca -0.07 -1.11 0.00 0.00 0.48 0.00 0.00 55.95 55.25 1j4t s SER 80 Cb -0.15 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.47 1j4t s SER 80 CO -0.01 -1.01 0.00 0.61 0.98 0.00 0.00 173.24 173.81 1j4t n GLY 81 N -0.33 -1.32 3.11 7.32 0.00 -1.19 -1.28 105.19 111.51 1j4t n GLY 81 Ca -0.01 -0.94 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 1j4t n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1j4t s TYR 82 N -2.86 1.98 -0.15 1.61 1.51 -0.81 -2.04 117.35 116.60 1j4t s TYR 82 Ca 0.00 -0.79 -0.00 0.00 -1.01 0.00 0.00 57.07 55.26 1j4t s TYR 82 Cb 0.00 -1.38 -0.01 0.00 -0.11 0.00 0.00 41.96 40.46 1j4t s TYR 82 CO 0.00 -0.36 -0.13 0.95 -1.11 0.00 0.00 175.55 174.90 1j4t s THR 83 N 0.54 2.93 0.18 -0.71 -4.23 0.71 -0.72 115.64 114.34 1j4t s THR 83 Ca -0.16 -0.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.47 1j4t s THR 83 Cb -0.17 -2.24 0.04 0.00 1.34 0.00 0.00 72.50 71.47 1j4t s THR 83 CO 0.06 0.51 0.53 -0.83 -0.54 0.00 0.00 174.62 174.35 1j4t s GLY 84 N 0.61 -0.22 0.47 3.99 0.00 -0.19 -1.10 107.32 110.88 1j4t s GLY 84 Ca -0.08 -0.07 -0.23 0.00 0.00 0.00 0.00 44.72 44.34 1j4t s GLY 84 CO 0.03 -0.18 1.19 2.56 0.00 0.00 0.00 173.10 176.70 1j4t s PRO 85 N -3.84 3.70 -0.17 2.90 0.04 -1.26 -0.89 135.00 135.48 1j4t s PRO 85 Ca 0.07 1.84 -0.03 0.00 0.04 0.00 0.00 61.00 62.92 1j4t s PRO 85 Cb -0.01 -2.41 -0.02 0.00 0.04 0.00 0.00 34.50 32.10 1j4t s PRO 85 CO -0.05 -0.62 -0.05 0.12 0.04 0.00 0.00 177.00 176.43 1j4t s PHE 86 N -1.50 2.97 -0.14 0.56 5.36 -1.25 -4.85 117.98 119.12 1j4t s PHE 86 Ca 0.64 -0.49 -0.21 0.00 -0.96 0.00 0.00 56.93 55.91 1j4t s PHE 86 Cb -0.30 -1.97 -0.19 0.00 -0.34 0.00 0.00 43.02 40.22 1j4t s PHE 86 CO 0.37 -0.18 0.48 0.77 -1.46 0.00 0.00 175.22 175.20 1j4t h SER 87 N 7.02 0.00 0.00 6.13 0.02 -1.96 -3.11 113.55 121.65 1j4t h SER 87 Ca -0.32 -0.68 0.00 0.00 -0.84 0.00 0.00 61.79 59.95 1j4t h SER 87 Cb 1.19 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.73 1j4t h SER 87 CO 0.61 0.98 0.08 0.00 -1.14 0.00 0.00 176.83 177.35 1j4t n ALA 88 N -2.83 0.92 -2.78 3.77 0.00 -1.26 -0.43 120.51 117.89 1j4t n ALA 88 Ca -0.12 0.14 0.01 0.00 0.00 0.00 0.00 53.44 53.47 1j4t n ALA 88 Cb 0.41 -1.10 0.05 0.00 0.00 0.00 0.00 19.45 18.81 1j4t n ALA 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1j4t n LEU 89 N -2.03 1.50 -4.33 0.00 -0.00 -1.26 -5.03 117.00 105.84 1j4t n LEU 89 Ca -0.01 -2.87 -0.38 0.00 -0.00 0.00 0.00 56.01 52.75 1j4t n LEU 89 Cb 0.10 0.40 -0.08 0.00 -0.00 0.00 0.00 43.42 43.84 1j4t n LEU 89 CO 0.07 0.95 -0.21 0.00 -0.00 0.00 0.00 177.39 178.20 1j4t n ALA 90 N -0.43 -1.30 -3.93 1.47 0.00 0.43 -4.88 120.51 111.87 1j4t n ALA 90 Ca 0.07 -0.24 -0.33 0.00 0.00 0.00 0.00 53.44 52.94 1j4t n ALA 90 Cb 0.86 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.11 1j4t n ALA 90 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 1j4t s THR 91 N -3.36 2.11 0.17 0.00 -1.32 -1.17 -5.00 115.64 107.07 1j4t s THR 91 Ca 0.63 -0.94 0.26 0.00 -1.21 0.00 0.00 61.69 60.43 1j4t s THR 91 Cb -0.37 -1.87 0.26 0.00 -1.51 0.00 0.00 72.50 69.02 1j4t s THR 91 CO 0.96 0.54 1.88 1.55 -2.21 0.00 0.00 174.62 177.35 1j4t h PRO 92 N 7.71 0.00 -6.68 7.08 0.13 -1.90 -3.31 132.00 135.03 1j4t h PRO 92 Ca -0.41 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.22 1j4t h PRO 92 Cb 1.16 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.26 1j4t h PRO 92 CO 0.61 0.18 0.08 0.95 -0.23 0.00 0.00 178.00 179.59 1j4t s THR 93 N -3.73 4.69 0.75 1.56 -4.23 -1.26 -4.84 115.64 108.57 1j4t s THR 93 Ca 0.00 0.95 -0.16 0.00 -1.18 0.00 0.00 61.69 61.30 1j4t s THR 93 Cb 0.10 -3.64 -0.05 0.00 1.34 0.00 0.00 72.50 70.25 1j4t s THR 93 CO 0.62 -0.12 0.36 -2.65 -0.54 0.00 0.00 174.62 172.29 1j4t n PRO 94 N -0.19 0.20 -4.09 3.99 -0.02 -1.26 -4.42 135.00 129.20 1j4t n PRO 94 Ca 0.02 0.10 -0.08 0.00 -2.02 0.00 0.00 63.50 61.52 1j4t n PRO 94 Cb 0.53 -1.70 -0.10 0.00 -0.02 0.00 0.00 33.50 32.21 1j4t n PRO 94 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1j4t s VAL 95 N -1.97 0.15 -0.48 -1.45 1.01 -0.07 -2.40 120.40 115.19 1j4t s VAL 95 Ca 0.62 -1.78 -0.25 0.00 0.00 0.00 0.00 61.98 60.57 1j4t s VAL 95 Cb -0.34 -1.76 0.03 0.00 0.00 0.00 0.00 36.38 34.31 1j4t s VAL 95 CO 0.61 -0.69 0.92 0.68 0.00 0.00 0.00 175.10 176.62 1j4t s VAL 96 N -3.98 4.47 0.02 2.92 -7.23 -1.08 -1.02 120.40 114.50 1j4t s VAL 96 Ca 0.15 0.63 -0.18 0.00 -1.81 0.00 0.00 61.98 60.77 1j4t s VAL 96 Cb 0.07 -4.45 -0.26 0.00 0.56 0.00 0.00 36.38 32.30 1j4t s VAL 96 CO -0.04 -0.88 1.09 0.03 -0.31 0.00 0.00 175.10 174.98 1j4t h ARG 97 N 9.12 0.50 -5.18 4.82 2.47 -1.18 -2.46 114.38 122.47 1j4t h ARG 97 Ca -0.24 -0.61 -0.39 0.00 -1.26 0.00 0.00 59.98 57.48 1j4t h ARG 97 Cb 1.08 0.19 -0.22 0.00 -1.65 0.00 0.00 29.97 29.37 1j4t h ARG 97 CO 1.03 1.24 -0.77 0.45 0.56 0.00 0.00 179.97 182.48 1j4t s SER 98 N -7.05 1.50 -0.04 7.04 0.15 -1.08 -2.56 113.70 111.66 1j4t s SER 98 Ca -0.12 -0.58 -0.02 0.00 0.70 0.00 0.00 55.95 55.94 1j4t s SER 98 Cb 0.04 -0.04 0.03 0.00 -1.71 0.00 0.00 66.02 64.34 1j4t s SER 98 CO 0.87 -0.08 0.06 -0.76 1.20 0.00 0.00 173.24 174.52 1j4t s LEU 99 N -1.61 0.26 -0.11 3.45 1.43 -0.62 -1.93 118.68 119.55 1j4t s LEU 99 Ca -0.03 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.16 1j4t s LEU 99 Cb -0.10 -0.12 0.02 0.00 0.03 0.00 0.00 46.19 46.02 1j4t s LEU 99 CO 0.02 -0.23 -0.13 0.28 0.23 0.00 0.00 176.35 176.51 1j4t s THR 100 N 2.03 1.38 -0.04 5.49 -1.32 -0.40 -1.81 115.64 120.97 1j4t s THR 100 Ca 0.03 -0.56 0.03 0.00 -1.21 0.00 0.00 61.69 59.98 1j4t s THR 100 Cb -0.12 -1.29 -0.03 0.00 -1.51 0.00 0.00 72.50 69.55 1j4t s THR 100 CO -0.03 0.42 -0.10 -0.36 -2.21 0.00 0.00 174.62 172.34 1j4t s PHE 101 N 1.12 2.82 -0.01 9.09 0.08 -1.13 -1.61 117.98 128.34 1j4t s PHE 101 Ca -0.04 -0.07 0.06 0.00 0.12 0.00 0.00 56.93 56.99 1j4t s PHE 101 Cb -0.14 -1.65 -0.02 0.00 -0.57 0.00 0.00 43.02 40.65 1j4t s PHE 101 CO -0.03 0.29 -0.19 0.21 -0.10 0.00 0.00 175.22 175.40 1j4t s LYS 102 N -0.95 1.49 0.31 0.44 2.47 -0.86 -1.33 119.74 121.31 1j4t s LYS 102 Ca 0.13 -0.69 0.08 0.00 -1.56 0.00 0.00 55.97 53.94 1j4t s LYS 102 Cb -0.11 -1.45 -0.04 0.00 -1.46 0.00 0.00 37.83 34.77 1j4t s LYS 102 CO 0.03 0.40 0.13 0.95 0.16 0.00 0.00 175.35 177.01 1j4t s THR 103 N -0.47 3.37 0.45 3.43 -4.23 -0.73 0.28 115.64 117.74 1j4t s THR 103 Ca 0.07 -1.68 0.31 0.00 -1.18 0.00 0.00 61.69 59.21 1j4t s THR 103 Cb -0.07 -3.02 0.34 0.00 1.34 0.00 0.00 72.50 71.08 1j4t s THR 103 CO -0.00 -0.25 2.14 -0.55 -0.54 0.00 0.00 174.62 175.41 1j4t h ASN 104 N 1.59 0.00 0.66 3.99 -0.00 -1.48 -2.86 115.58 117.48 1j4t h ASN 104 Ca -0.45 0.00 -0.14 0.00 -0.00 0.00 0.00 56.30 55.71 1j4t h ASN 104 Cb 1.25 0.00 -0.02 0.00 -0.00 0.00 0.00 38.32 39.55 1j4t h ASN 104 CO 0.62 0.07 -0.68 0.11 -0.00 0.00 0.00 177.43 177.55 1j4t h LYS 105 N 0.00 0.02 0.00 4.14 1.79 -1.90 -3.48 116.57 117.14 1j4t h LYS 105 Ca -0.00 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1j4t h LYS 105 Cb 0.25 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.90 1j4t h LYS 105 CO 0.01 0.69 0.00 0.41 -1.08 0.00 0.00 179.45 179.47 1j4t n GLY 106 N 0.41 1.27 3.74 3.86 0.00 -1.08 -5.12 105.19 108.27 1j4t n GLY 106 Ca -0.01 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1j4t n GLY 106 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 107 N 0.00 2.75 0.07 1.61 0.52 -1.26 -4.81 118.95 117.83 1j4t s ARG 107 Ca 0.00 2.06 0.05 0.00 -0.52 0.00 0.00 55.73 57.32 1j4t s ARG 107 Cb 0.00 -1.95 -0.03 0.00 0.52 0.00 0.00 34.95 33.49 1j4t s ARG 107 CO 0.00 -1.45 -0.14 0.99 0.02 0.00 0.00 175.30 174.72 1j4t s THR 108 N -1.40 1.11 -0.20 0.02 2.01 -1.26 -1.78 115.64 114.14 1j4t s THR 108 Ca 0.79 -1.34 0.00 0.00 0.31 0.00 0.00 61.69 61.46 1j4t s THR 108 Cb -0.37 -1.10 0.05 0.00 0.01 0.00 0.00 72.50 71.09 1j4t s THR 108 CO 0.40 -0.25 -0.06 -0.36 -0.69 0.00 0.00 174.62 173.66 1j4t s PHE 109 N -1.36 2.13 0.00 4.92 0.40 -0.44 -5.00 117.98 118.63 1j4t s PHE 109 Ca -0.01 -1.46 0.00 0.00 -0.60 0.00 0.00 56.93 54.85 1j4t s PHE 109 Cb -0.09 -1.49 0.00 0.00 0.51 0.00 0.00 43.02 41.94 1j4t s PHE 109 CO 0.02 -0.71 0.00 0.41 0.70 0.00 0.00 175.22 175.64 1j4t n GLY 110 N 4.75 -1.22 3.43 4.36 0.00 -1.26 -2.83 105.19 112.42 1j4t n GLY 110 Ca -0.13 -1.65 -0.47 0.00 0.00 0.00 0.00 46.02 43.77 1j4t n GLY 110 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1j4t n PRO 111 N 0.00 0.25 -4.98 1.61 -0.04 -1.26 -4.96 135.00 125.62 1j4t n PRO 111 Ca 0.00 0.09 -0.32 0.00 -0.04 0.00 0.00 63.50 63.22 1j4t n PRO 111 Cb 0.00 -1.16 -0.14 0.00 -0.04 0.00 0.00 33.50 32.16 1j4t n PRO 111 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1j4t s TYR 112 N -1.03 2.63 0.00 0.54 2.02 -0.75 -4.93 117.35 115.83 1j4t s TYR 112 Ca 0.63 -0.35 0.00 0.00 -0.37 0.00 0.00 57.07 56.98 1j4t s TYR 112 Cb -0.88 -1.64 0.00 0.00 -0.40 0.00 0.00 41.96 39.04 1j4t s TYR 112 CO 0.57 0.04 0.00 0.41 -1.57 0.00 0.00 175.55 175.00 1j4t n GLY 113 N 2.60 -1.45 3.81 0.71 0.00 -1.26 -1.59 105.19 108.01 1j4t n GLY 113 Ca -0.17 -1.58 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1j4t n GLY 113 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1j4t s ASP 114 N -4.00 6.60 -0.99 1.61 1.01 -1.06 -4.58 116.67 115.26 1j4t s ASP 114 Ca 0.00 1.76 -0.03 0.00 0.71 0.00 0.00 52.55 54.99 1j4t s ASP 114 Cb 0.00 -2.54 0.23 0.00 1.01 0.00 0.00 42.92 41.62 1j4t s ASP 114 CO 0.00 -0.60 2.17 -0.62 0.21 0.00 0.00 175.17 176.33 1j4t n GLU 115 N -1.00 4.26 -4.75 8.23 1.02 -1.26 -3.27 120.64 123.86 1j4t n GLU 115 Ca 0.08 -3.77 -0.26 0.00 -0.02 0.00 0.00 57.16 53.19 1j4t n GLU 115 Cb 0.53 -2.43 -0.15 0.00 -0.02 0.00 0.00 31.44 29.38 1j4t n GLU 115 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 1j4t s GLU 116 N -2.99 1.47 0.00 3.49 -1.05 -1.26 -5.03 118.70 113.34 1j4t s GLU 116 Ca 0.49 -0.88 0.00 0.00 -0.15 0.00 0.00 54.97 54.43 1j4t s GLU 116 Cb 0.26 -1.54 0.00 0.00 -0.44 0.00 0.00 34.13 32.42 1j4t s GLU 116 CO -0.19 0.40 0.00 0.41 0.95 0.00 0.00 175.26 176.83 1j4t n GLY 117 N 2.07 0.29 3.82 -3.83 0.00 -1.26 -4.07 105.19 102.21 1j4t n GLY 117 Ca -0.17 -1.95 -0.37 0.00 0.00 0.00 0.00 46.02 43.53 1j4t n GLY 117 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1j4t s THR 118 N -0.62 5.27 0.12 2.61 2.01 -0.26 -4.83 115.64 119.94 1j4t s THR 118 Ca 0.00 0.54 -0.29 0.00 0.31 0.00 0.00 61.69 62.25 1j4t s THR 118 Cb 0.00 -3.58 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 1j4t s THR 118 CO 0.00 0.54 0.94 -0.47 -0.69 0.00 0.00 174.62 174.94 1j4t s TYR 119 N -0.62 3.82 0.02 4.92 5.04 -1.26 -0.21 117.35 129.06 1j4t s TYR 119 Ca 0.19 1.78 0.08 0.00 -2.44 0.00 0.00 57.07 56.67 1j4t s TYR 119 Cb -0.14 -3.02 -0.03 0.00 0.35 0.00 0.00 41.96 39.12 1j4t s TYR 119 CO 0.07 0.24 -0.23 -0.59 -1.34 0.00 0.00 175.55 173.71 1j4t s PHE 120 N -0.13 2.42 -0.23 4.97 -0.12 -0.87 -4.94 117.98 119.08 1j4t s PHE 120 Ca 0.45 -0.35 -0.04 0.00 -0.05 0.00 0.00 56.93 56.94 1j4t s PHE 120 Cb -0.23 -1.46 0.09 0.00 -0.63 0.00 0.00 43.02 40.79 1j4t s PHE 120 CO 0.29 0.12 0.16 1.21 -0.05 0.00 0.00 175.22 176.96 1j4t s ASN 121 N -1.08 2.39 -0.65 1.98 2.47 -1.26 -3.17 114.94 115.62 1j4t s ASN 121 Ca 0.12 -0.75 -0.04 0.00 0.42 0.00 0.00 52.86 52.61 1j4t s ASN 121 Cb -0.10 -0.02 0.17 0.00 -1.45 0.00 0.00 41.25 39.84 1j4t s ASN 121 CO 0.02 -0.38 0.49 -0.22 -3.72 0.00 0.00 177.10 173.29 1j4t s LEU 122 N 2.20 5.44 -0.19 3.21 2.96 -0.78 -5.04 118.68 126.49 1j4t s LEU 122 Ca 0.06 -2.84 -0.24 0.00 -0.22 0.00 0.00 54.13 50.89 1j4t s LEU 122 Cb -0.16 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.62 1j4t s LEU 122 CO -0.22 -0.39 0.78 -2.16 -1.32 0.00 0.00 176.35 173.04 1j4t s PRO 123 N -0.05 4.25 -0.41 0.98 0.04 -1.26 -2.33 135.00 136.23 1j4t s PRO 123 Ca 0.17 0.89 -0.12 0.00 0.04 0.00 0.00 61.00 61.98 1j4t s PRO 123 Cb -0.19 -3.59 0.05 0.00 0.04 0.00 0.00 34.50 30.81 1j4t s PRO 123 CO -0.04 -0.34 0.26 0.42 0.04 0.00 0.00 177.00 177.34 1j4t s ILE 124 N 2.21 4.70 -0.05 0.56 1.01 -0.94 -4.96 121.20 123.73 1j4t s ILE 124 Ca 0.35 -1.00 -0.23 0.00 0.00 0.00 0.00 60.65 59.77 1j4t s ILE 124 Cb -0.16 -3.71 -0.28 0.00 0.01 0.00 0.00 42.46 38.32 1j4t s ILE 124 CO 0.11 -0.37 0.93 -0.33 0.00 0.00 0.00 174.94 175.28 1j4t h GLU 125 N 8.51 0.25 -3.36 2.79 5.08 -1.98 -3.47 114.58 122.40 1j4t h GLU 125 Ca -0.26 -0.36 -0.24 0.00 -1.00 0.00 0.00 59.36 57.51 1j4t h GLU 125 Cb 1.10 0.12 -0.30 0.00 0.50 0.00 0.00 28.75 30.17 1j4t h GLU 125 CO 0.73 1.13 -0.61 1.21 -1.00 0.00 0.00 179.01 180.47 1j4t s ASN 126 N -6.70 -0.09 0.00 1.42 2.47 -1.26 -5.12 114.94 105.66 1j4t s ASN 126 Ca -0.15 0.24 0.00 0.00 0.42 0.00 0.00 52.86 53.37 1j4t s ASN 126 Cb 0.01 0.17 0.00 0.00 -1.45 0.00 0.00 41.25 39.97 1j4t s ASN 126 CO 0.79 -0.11 0.00 0.61 -3.72 0.00 0.00 177.10 174.67 1j4t n GLY 127 N 3.80 2.44 2.83 1.21 0.00 -1.26 -5.02 105.19 109.19 1j4t n GLY 127 Ca -0.22 -1.93 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 1j4t n GLY 127 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1j4t s LEU 128 N 0.00 1.36 -0.01 0.99 1.43 0.91 -4.92 118.68 118.45 1j4t s LEU 128 Ca 0.00 -0.02 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 1j4t s LEU 128 Cb 0.00 -0.17 -0.06 0.00 0.03 0.00 0.00 46.19 45.99 1j4t s LEU 128 CO 0.00 -0.07 1.56 -0.63 0.23 0.00 0.00 176.35 177.44 1j4t s ILE 129 N 0.75 3.49 0.00 -0.59 1.01 -1.26 -1.24 121.20 123.37 1j4t s ILE 129 Ca -0.07 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.37 1j4t s ILE 129 Cb -0.10 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.86 1j4t s ILE 129 CO -0.02 -0.03 0.30 0.55 0.00 0.00 0.00 174.94 175.74 1j4t n VAL 130 N 5.02 0.00 -3.61 2.92 3.14 -0.63 -4.24 118.33 120.93 1j4t n VAL 130 Ca 0.15 -0.49 -0.05 0.00 -2.96 0.00 0.00 64.34 61.00 1j4t n VAL 130 Cb 0.42 1.01 -0.02 0.00 -1.06 0.00 0.00 33.84 34.20 1j4t n VAL 130 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1j4t s GLY 131 N -0.39 -0.36 -0.02 7.55 0.00 -1.24 -0.53 107.32 112.33 1j4t s GLY 131 Ca 0.00 0.88 0.01 0.00 0.00 0.00 0.00 44.72 45.61 1j4t s GLY 131 CO 0.00 0.26 -0.03 -1.36 0.00 0.00 0.00 173.10 171.97 1j4t s PHE 132 N -2.87 0.48 0.38 1.90 0.08 -1.24 -1.77 117.98 114.94 1j4t s PHE 132 Ca 0.09 -0.09 0.04 0.00 0.12 0.00 0.00 56.93 57.09 1j4t s PHE 132 Cb -0.00 -0.44 -0.04 0.00 -0.57 0.00 0.00 43.02 41.97 1j4t s PHE 132 CO -0.04 -0.10 0.08 -1.59 -0.10 0.00 0.00 175.22 173.47 1j4t s LYS 133 N 0.58 1.83 0.00 0.44 -2.85 -0.95 -0.18 119.74 118.60 1j4t s LYS 133 Ca -0.06 -2.08 0.00 0.00 -1.00 0.00 0.00 55.97 52.83 1j4t s LYS 133 Cb -0.10 -0.83 0.00 0.00 -2.06 0.00 0.00 37.83 34.84 1j4t s LYS 133 CO -0.01 -0.33 0.00 0.41 0.10 0.00 0.00 175.35 175.53 1j4t n GLY 134 N -0.84 -0.54 2.93 0.59 0.00 -0.69 -0.83 105.19 105.81 1j4t n GLY 134 Ca -0.05 -0.83 -0.15 0.00 0.00 0.00 0.00 46.02 44.99 1j4t n GLY 134 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1j4t s ARG 135 N -1.52 0.29 -0.02 1.61 0.52 -0.76 -1.94 118.95 117.13 1j4t s ARG 135 Ca 0.00 -0.13 0.03 0.00 -0.52 0.00 0.00 55.73 55.11 1j4t s ARG 135 Cb 0.00 -0.28 -0.01 0.00 0.52 0.00 0.00 34.95 35.18 1j4t s ARG 135 CO 0.00 0.08 -0.12 0.99 0.02 0.00 0.00 175.30 176.27 1j4t s THR 136 N -0.09 0.96 0.00 0.02 2.01 -0.04 -0.94 115.64 117.56 1j4t s THR 136 Ca 0.01 -0.50 0.00 0.00 0.31 0.00 0.00 61.69 61.51 1j4t s THR 136 Cb -0.01 -0.82 0.00 0.00 0.01 0.00 0.00 72.50 71.68 1j4t s THR 136 CO -0.00 0.28 0.00 0.61 -0.69 0.00 0.00 174.62 174.82 1j4t n GLY 137 N 2.94 1.75 0.09 4.40 0.00 -1.26 0.85 105.19 113.95 1j4t n GLY 137 Ca -0.15 -0.17 -0.05 0.00 0.00 0.00 0.00 46.02 45.65 1j4t n GLY 137 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1j4t n ASP 138 N 0.00 0.75 -1.26 1.61 8.00 -1.26 -4.93 116.55 119.47 1j4t n ASP 138 Ca 0.00 0.35 0.00 0.00 0.71 0.00 0.00 54.79 55.85 1j4t n ASP 138 Cb 0.00 0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 1j4t n ASP 138 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1j4t n LEU 139 N -2.93 0.00 -4.50 0.64 4.32 -1.26 -4.30 117.00 108.98 1j4t n LEU 139 Ca -0.15 0.00 -0.43 0.00 -0.02 0.00 0.00 56.01 55.41 1j4t n LEU 139 Cb 0.97 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.72 1j4t n LEU 139 CO 0.44 0.00 0.74 -0.22 -1.22 0.00 0.00 177.39 177.13 1j4t s LEU 140 N 0.00 4.21 -0.05 2.23 2.96 -1.12 -4.37 118.68 122.54 1j4t s LEU 140 Ca 0.00 -0.60 -0.25 0.00 -0.22 0.00 0.00 54.13 53.06 1j4t s LEU 140 Cb 0.00 -2.66 -0.23 0.00 0.50 0.00 0.00 46.19 43.80 1j4t s LEU 140 CO 0.00 -1.30 1.06 0.44 -1.32 0.00 0.00 176.35 175.23 1j4t h ASP 141 N 9.40 0.14 -3.31 3.68 5.19 -1.34 -2.85 116.42 127.33 1j4t h ASP 141 Ca -0.27 -0.73 -0.45 0.00 -0.62 0.00 0.00 57.03 54.96 1j4t h ASP 141 Cb 1.07 -0.04 -0.14 0.00 0.18 0.00 0.00 39.33 40.40 1j4t h ASP 141 CO 1.12 0.85 -0.67 0.00 -3.12 0.00 0.00 179.24 177.42 1j4t s ALA 142 N -3.30 2.13 -0.07 3.45 0.00 -1.20 -3.42 121.76 119.34 1j4t s ALA 142 Ca -0.16 -1.85 -0.01 0.00 0.00 0.00 0.00 51.96 49.94 1j4t s ALA 142 Cb 0.01 0.32 0.03 0.00 0.00 0.00 0.00 23.12 23.47 1j4t s ALA 142 CO 0.72 -0.15 -0.03 -1.50 0.00 0.00 0.00 175.76 174.80 1j4t s ILE 143 N -3.18 0.56 0.23 0.00 1.10 -0.57 -1.83 121.20 117.51 1j4t s ILE 143 Ca 0.29 -0.03 0.04 0.00 -0.51 0.00 0.00 60.65 60.44 1j4t s ILE 143 Cb 0.05 -0.66 -0.05 0.00 0.15 0.00 0.00 42.46 41.95 1j4t s ILE 143 CO 0.11 0.28 -0.02 -0.83 -2.11 0.00 0.00 174.94 172.36 1j4t s GLY 144 N 1.65 1.55 0.02 1.50 0.00 -0.01 -0.21 107.32 111.82 1j4t s GLY 144 Ca 0.01 -1.76 0.01 0.00 0.00 0.00 0.00 44.72 42.98 1j4t s GLY 144 CO -0.04 -1.68 -0.05 -0.42 0.00 0.00 0.00 173.10 170.90 1j4t s ILE 145 N -3.36 0.37 -0.14 0.90 1.01 -0.63 -2.25 121.20 117.10 1j4t s ILE 145 Ca 0.28 -0.63 -0.05 0.00 0.00 0.00 0.00 60.65 60.25 1j4t s ILE 145 Cb 0.05 -0.40 -0.04 0.00 0.01 0.00 0.00 42.46 42.09 1j4t s ILE 145 CO 0.08 -0.18 0.03 -1.00 0.00 0.00 0.00 174.94 173.88 1j4t s HIS 146 N -0.79 3.22 0.14 3.97 3.76 -0.73 0.38 115.29 125.24 1j4t s HIS 146 Ca -0.05 0.10 0.07 0.00 -0.15 0.00 0.00 55.06 55.03 1j4t s HIS 146 Cb -0.06 -1.94 -0.04 0.00 1.11 0.00 0.00 32.58 31.65 1j4t s HIS 146 CO -0.00 0.30 -0.15 -1.64 -0.85 0.00 0.00 174.74 172.39 1j4t s MET 147 N -0.22 1.12 0.31 1.40 1.00 0.36 -1.60 119.30 121.68 1j4t s MET 147 Ca 0.07 -1.32 -0.05 0.00 0.00 0.00 0.00 55.69 54.39 1j4t s MET 147 Cb -0.12 -1.04 0.02 0.00 0.00 0.00 0.00 34.83 33.69 1j4t s MET 147 CO 0.02 0.20 0.51 0.43 0.00 0.00 0.00 175.02 176.18 1j4t n SER 148 N 0.38 -1.44 -0.63 3.03 7.64 -0.37 -3.12 113.62 119.11 1j4t n SER 148 Ca -0.14 -2.54 0.08 0.00 1.01 0.00 0.00 58.87 57.27 1j4t n SER 148 Cb 0.57 2.56 0.07 0.00 -1.01 0.00 0.00 64.21 66.40 1j4t n SER 148 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21