#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n3j s PHE 2 N 0.00 -0.52 0.01 3.17 -0.71 -1.26 -3.55 117.98 115.11 1n3j s PHE 2 Ca 0.00 1.24 -0.01 0.00 -1.04 0.00 0.00 56.93 57.12 1n3j s PHE 2 Cb 0.00 0.36 -0.01 0.00 -1.21 0.00 0.00 43.02 42.16 1n3j s PHE 2 CO 0.00 -0.25 0.01 1.21 -1.34 0.00 0.00 175.22 174.86 1n3j s ASN 3 N 0.32 0.12 0.57 1.98 3.84 -0.90 -4.98 114.94 115.89 1n3j s ASN 3 Ca 0.02 -0.28 0.33 0.00 0.21 0.00 0.00 52.86 53.13 1n3j s ASN 3 Cb -0.05 0.11 1.43 0.00 -0.55 0.00 0.00 41.25 42.19 1n3j s ASN 3 CO -0.06 -0.22 1.75 -2.24 -2.79 0.00 0.00 177.10 173.54 1n3j h ASP 4 N 5.03 0.00 0.11 -4.21 2.03 -1.99 0.32 116.42 117.72 1n3j h ASP 4 Ca -0.29 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.00 1n3j h ASP 4 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 1n3j h ASP 4 CO 0.43 0.00 -0.05 0.03 -1.03 0.00 0.00 179.24 178.62 1n3j h ARG 5 N 0.00 -0.14 -2.55 4.15 3.08 -1.90 -3.46 114.38 113.56 1n3j h ARG 5 Ca 0.43 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.41 1n3j h ARG 5 Cb 2.01 0.03 -0.19 0.00 0.08 0.00 0.00 29.97 31.90 1n3j h ARG 5 CO -0.00 0.25 -0.02 0.14 -1.07 0.00 0.00 179.97 179.26 1n3j s VAL 6 N -4.44 0.03 -0.26 2.04 -7.23 0.10 -4.14 120.40 106.50 1n3j s VAL 6 Ca -0.15 -0.24 -0.14 0.00 -1.81 0.00 0.00 61.98 59.65 1n3j s VAL 6 Cb 0.02 -0.85 -0.04 0.00 0.56 0.00 0.00 36.38 36.06 1n3j s VAL 6 CO 0.61 -0.13 0.31 -0.51 -0.31 0.00 0.00 175.10 175.07 1n3j s ILE 7 N -1.51 5.23 -0.00 -0.62 -1.16 -0.50 -2.11 121.20 120.53 1n3j s ILE 7 Ca -0.11 0.45 -0.17 0.00 -0.51 0.00 0.00 60.65 60.32 1n3j s ILE 7 Cb -0.02 -3.64 -0.06 0.00 0.61 0.00 0.00 42.46 39.35 1n3j s ILE 7 CO 0.05 0.21 0.47 -0.69 -2.81 0.00 0.00 174.94 172.17 1n3j s VAL 8 N 1.82 4.97 -0.49 4.00 1.01 -1.23 -1.21 120.40 129.27 1n3j s VAL 8 Ca 0.13 0.98 0.04 0.00 0.00 0.00 0.00 61.98 63.13 1n3j s VAL 8 Cb -0.16 -3.79 0.13 0.00 0.00 0.00 0.00 36.38 32.56 1n3j s VAL 8 CO 0.09 0.52 0.24 -0.54 0.00 0.00 0.00 175.10 175.41 1n3j s LYS 9 N -0.75 1.82 -0.02 2.72 1.02 -0.75 -4.31 119.74 119.46 1n3j s LYS 9 Ca 0.26 -2.45 0.11 0.00 0.02 0.00 0.00 55.97 53.90 1n3j s LYS 9 Cb -0.17 -3.15 -0.16 0.00 -0.52 0.00 0.00 37.83 33.82 1n3j s LYS 9 CO 0.15 -1.10 0.22 0.36 -0.92 0.00 0.00 175.35 174.05 1n3j n LYS 10 N 3.29 0.55 -2.57 1.68 2.85 -1.26 -2.67 118.16 120.03 1n3j n LYS 10 Ca 0.05 -0.09 -0.42 0.00 -1.05 0.00 0.00 58.31 56.81 1n3j n LYS 10 Cb 0.33 -1.26 -0.03 0.00 -0.65 0.00 0.00 35.03 33.42 1n3j n LYS 10 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 177.40 176.23 1n3j s SER 11 N -3.37 7.27 0.15 -5.58 0.01 -1.26 -4.95 113.70 105.97 1n3j s SER 11 Ca -0.04 1.90 -0.34 0.00 1.31 0.00 0.00 55.95 58.78 1n3j s SER 11 Cb 0.07 -2.58 -0.15 0.00 0.21 0.00 0.00 66.02 63.56 1n3j s SER 11 CO 0.45 -0.28 1.42 -2.65 0.41 0.00 0.00 173.24 172.58 1n3j n PRO 12 N 3.33 1.64 -0.99 12.44 -0.02 -1.26 -4.81 135.00 145.33 1n3j n PRO 12 Ca 0.05 0.59 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 1n3j n PRO 12 Cb 0.48 -2.26 -0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1n3j n PRO 12 CO 0.00 0.00 0.00 1.47 1.98 0.00 0.00 175.50 178.95 1n3j n LEU 13 N 2.74 -0.27 -2.08 2.45 -0.00 -1.26 -4.99 117.00 113.58 1n3j n LEU 13 Ca 0.17 -0.81 -0.07 0.00 -0.00 0.00 0.00 56.01 55.29 1n3j n LEU 13 Cb 0.25 0.25 0.04 0.00 -0.00 0.00 0.00 43.42 43.96 1n3j n LEU 13 CO 0.63 0.88 0.05 0.61 -0.00 0.00 0.00 177.39 179.55 1n3j n GLY 14 N -0.12 0.08 0.00 1.47 0.00 -1.26 -5.01 105.19 100.35 1n3j n GLY 14 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1n3j n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1n3j n GLY 15 N -1.08 1.56 3.10 -0.02 0.00 -1.26 -5.15 105.19 102.33 1n3j n GLY 15 Ca -0.12 0.44 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 1n3j n GLY 15 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1n3j s TYR 16 N 0.00 2.26 0.00 1.61 1.51 -1.26 -4.84 117.35 116.63 1n3j s TYR 16 Ca 0.00 -1.12 0.00 0.00 -1.01 0.00 0.00 57.07 54.94 1n3j s TYR 16 Cb 0.00 -1.59 0.00 0.00 -0.11 0.00 0.00 41.96 40.26 1n3j s TYR 16 CO 0.00 -0.55 0.00 0.41 -1.11 0.00 0.00 175.55 174.30 1n3j n GLY 17 N 4.22 1.50 3.24 0.71 0.00 -1.09 -4.56 105.19 109.21 1n3j n GLY 17 Ca -0.19 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.37 1n3j n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1n3j s VAL 18 N -2.00 3.59 0.45 1.61 0.11 -1.18 -1.82 120.40 121.17 1n3j s VAL 18 Ca 0.00 -1.29 -0.05 0.00 -2.93 0.00 0.00 61.98 57.71 1n3j s VAL 18 Cb 0.00 -3.09 -0.04 0.00 -1.53 0.00 0.00 36.38 31.72 1n3j s VAL 18 CO 0.00 -0.23 0.75 -0.36 -3.33 0.00 0.00 175.10 171.93 1n3j s PHE 19 N 1.35 3.54 -0.06 1.54 0.40 -0.35 0.51 117.98 124.91 1n3j s PHE 19 Ca -0.01 0.80 0.04 0.00 -0.60 0.00 0.00 56.93 57.16 1n3j s PHE 19 Cb -0.20 -2.28 -0.00 0.00 0.51 0.00 0.00 43.02 41.05 1n3j s PHE 19 CO 0.01 -0.20 -0.18 0.00 0.70 0.00 0.00 175.22 175.55 1n3j s ALA 20 N -2.62 1.65 -0.83 5.36 0.00 0.88 -1.41 121.76 124.79 1n3j s ALA 20 Ca 0.47 -0.73 0.02 0.00 0.00 0.00 0.00 51.96 51.72 1n3j s ALA 20 Cb -0.10 -0.58 0.28 0.00 0.00 0.00 0.00 23.12 22.71 1n3j s ALA 20 CO 0.41 0.27 1.07 0.54 0.00 0.00 0.00 175.76 178.05 1n3j n ARG 21 N 3.30 3.38 -2.83 0.00 5.12 -1.26 -0.75 116.66 123.62 1n3j n ARG 21 Ca -0.19 -4.62 0.02 0.00 -1.93 0.00 0.00 57.85 51.12 1n3j n ARG 21 Cb 0.53 -2.37 0.00 0.00 -1.16 0.00 0.00 32.46 29.46 1n3j n ARG 21 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 1n3j s LYS 22 N -2.61 0.27 0.47 5.56 -2.85 -1.26 -4.82 119.74 114.50 1n3j s LYS 22 Ca 0.36 -0.09 -0.22 0.00 -1.00 0.00 0.00 55.97 55.01 1n3j s LYS 22 Cb 0.10 0.03 -0.10 0.00 -2.06 0.00 0.00 37.83 35.81 1n3j s LYS 22 CO 0.04 -0.39 0.85 -1.13 0.10 0.00 0.00 175.35 174.81 1n3j n SER 23 N 3.77 0.46 -3.50 0.03 3.41 -1.26 -4.30 113.62 112.23 1n3j n SER 23 Ca 0.07 0.93 -0.02 0.00 -0.26 0.00 0.00 58.87 59.59 1n3j n SER 23 Cb 0.62 -1.29 0.01 0.00 -0.26 0.00 0.00 64.21 63.30 1n3j n SER 23 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1n3j s PHE 24 N -1.41 0.04 0.55 7.33 0.08 -1.00 -4.81 117.98 118.76 1n3j s PHE 24 Ca 0.66 -0.35 -0.01 0.00 0.12 0.00 0.00 56.93 57.35 1n3j s PHE 24 Cb -0.53 0.66 0.02 0.00 -0.57 0.00 0.00 43.02 42.60 1n3j s PHE 24 CO 0.55 -0.74 0.79 -1.21 -0.10 0.00 0.00 175.22 174.51 1n3j s GLU 25 N -2.25 2.68 -0.44 0.44 8.01 -1.26 -1.04 118.70 124.84 1n3j s GLU 25 Ca 0.22 -0.55 -0.31 0.00 0.01 0.00 0.00 54.97 54.34 1n3j s GLU 25 Cb -0.02 -2.44 -0.10 0.00 -4.31 0.00 0.00 34.13 27.26 1n3j s GLU 25 CO 0.03 -0.67 2.32 0.36 0.01 0.00 0.00 175.26 177.31 1n3j n LYS 26 N -2.38 1.09 0.00 1.61 2.85 -1.26 -3.82 118.16 116.25 1n3j n LYS 26 Ca 0.06 0.22 0.00 0.00 -1.05 0.00 0.00 58.31 57.54 1n3j n LYS 26 Cb 0.59 -2.73 0.00 0.00 -0.65 0.00 0.00 35.03 32.24 1n3j n LYS 26 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1n3j n GLY 27 N 6.28 0.00 3.28 2.58 0.00 0.37 -4.87 105.19 112.83 1n3j n GLY 27 Ca 0.41 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.24 1n3j n GLY 27 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1n3j n GLU 28 N 0.00 -0.02 -3.73 1.61 0.00 -0.97 -4.83 120.64 112.70 1n3j n GLU 28 Ca 0.00 -2.29 -0.16 0.00 0.00 0.00 0.00 57.16 54.71 1n3j n GLU 28 Cb 0.00 -0.57 -0.16 0.00 0.00 0.00 0.00 31.44 30.70 1n3j n GLU 28 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.13 175.96 1n3j s LEU 29 N 0.00 0.67 0.39 4.31 0.20 -1.26 -1.81 118.68 121.18 1n3j s LEU 29 Ca 0.56 0.11 0.08 0.00 0.69 0.00 0.00 54.13 55.57 1n3j s LEU 29 Cb -0.03 -0.01 -0.05 0.00 -0.43 0.00 0.00 46.19 45.67 1n3j s LEU 29 CO 0.37 -0.18 0.14 -0.69 -0.29 0.00 0.00 176.35 175.71 1n3j s VAL 30 N 1.49 2.41 0.04 1.68 1.01 -0.12 -4.94 120.40 121.97 1n3j s VAL 30 Ca -0.04 -1.76 0.02 0.00 0.00 0.00 0.00 61.98 60.20 1n3j s VAL 30 Cb -0.12 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.27 1n3j s VAL 30 CO -0.04 -0.05 -0.07 -1.83 0.00 0.00 0.00 175.10 173.12 1n3j s GLU 31 N -3.86 0.49 0.00 2.72 4.04 -1.26 -1.55 118.70 119.28 1n3j s GLU 31 Ca 0.39 -0.74 0.00 0.00 0.04 0.00 0.00 54.97 54.66 1n3j s GLU 31 Cb 0.03 -0.20 0.00 0.00 0.02 0.00 0.00 34.13 33.98 1n3j s GLU 31 CO 0.22 0.03 0.00 -1.91 -1.84 0.00 0.00 175.26 171.75 1n3j n GLU 32 N 1.46 0.00 -2.67 -4.83 4.07 -1.26 -4.98 120.64 112.43 1n3j n GLU 32 Ca -0.23 0.00 -0.04 0.00 -0.06 0.00 0.00 57.16 56.83 1n3j n GLU 32 Cb 0.55 0.00 0.08 0.00 -0.06 0.00 0.00 31.44 32.01 1n3j n GLU 32 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1n3j n LEU 34 N 0.19 -0.46 -3.79 0.00 4.32 -1.26 -5.11 117.00 110.88 1n3j n LEU 34 Ca -0.10 -3.70 -0.13 0.00 -0.02 0.00 0.00 56.01 52.07 1n3j n LEU 34 Cb 0.73 0.31 -0.11 0.00 -1.62 0.00 0.00 43.42 42.74 1n3j n LEU 34 CO -0.09 1.82 -0.07 0.00 -1.22 0.00 0.00 177.39 177.82 1n3j s ILE 36 N -0.37 1.07 0.05 0.00 1.01 -0.98 -4.50 121.20 117.49 1n3j s ILE 36 Ca -0.05 -2.37 0.04 0.00 0.00 0.00 0.00 60.65 58.27 1n3j s ILE 36 Cb -0.03 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.64 1n3j s ILE 36 CO 0.01 -0.93 -0.02 -0.69 0.00 0.00 0.00 174.94 173.31 1n3j s VAL 37 N 0.50 3.94 0.00 2.92 1.01 -1.26 -1.93 120.40 125.58 1n3j s VAL 37 Ca 0.18 -0.87 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1n3j s VAL 37 Cb -0.23 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.34 1n3j s VAL 37 CO -0.00 0.23 0.00 0.54 0.00 0.00 0.00 175.10 175.87 1n3j n ARG 38 N 0.96 0.00 -3.34 2.72 5.12 -0.36 -4.77 116.66 116.99 1n3j n ARG 38 Ca -0.13 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.62 1n3j n ARG 38 Cb 0.52 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.75 1n3j n ARG 38 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 1n3j s HIS 39 N -2.11 -0.26 -0.26 -1.55 2.46 -1.26 -2.78 115.29 109.53 1n3j s HIS 39 Ca 0.00 -0.93 -0.35 0.00 0.47 0.00 0.00 55.06 54.25 1n3j s HIS 39 Cb 0.00 -0.41 0.16 0.00 -0.13 0.00 0.00 32.58 32.20 1n3j s HIS 39 CO 0.00 -0.98 1.32 -0.80 -2.47 0.00 0.00 174.74 171.81 1n3j s ASN 40 N 1.29 -0.06 0.03 9.88 0.01 -1.26 -5.02 114.94 119.82 1n3j s ASN 40 Ca 0.19 0.02 -0.20 0.00 -0.71 0.00 0.00 52.86 52.16 1n3j s ASN 40 Cb -0.14 0.06 -0.15 0.00 0.41 0.00 0.00 41.25 41.43 1n3j s ASN 40 CO -0.03 -0.09 1.31 0.44 -1.51 0.00 0.00 177.10 177.21 1n3j h ASP 41 N 2.03 0.39 -0.43 -1.22 3.32 -2.00 -2.68 116.42 115.84 1n3j h ASP 41 Ca -0.06 -0.52 0.12 0.00 0.02 0.00 0.00 57.03 56.59 1n3j h ASP 41 Cb 1.15 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.57 1n3j h ASP 41 CO 0.21 0.84 0.54 0.44 -1.72 0.00 0.00 179.24 179.55 1n3j h ASP 42 N -0.04 0.00 0.77 6.45 5.19 -1.99 -1.08 116.42 125.72 1n3j h ASP 42 Ca 0.01 0.00 -0.04 0.00 -0.62 0.00 0.00 57.03 56.39 1n3j h ASP 42 Cb 0.75 0.00 0.01 0.00 0.18 0.00 0.00 39.33 40.27 1n3j h ASP 42 CO 0.04 0.00 -0.37 -0.25 -3.12 0.00 0.00 179.24 175.54 1n3j h TRP 43 N 0.00 -0.96 -1.10 4.55 -0.00 -1.87 0.41 115.95 116.98 1n3j h TRP 43 Ca 0.20 -0.02 0.32 0.00 -0.00 0.00 0.00 58.89 59.39 1n3j h TRP 43 Cb 1.29 0.32 -0.04 0.00 -0.00 0.00 0.00 29.16 30.72 1n3j h TRP 43 CO 0.00 -0.60 0.86 0.78 -0.00 0.00 0.00 178.44 179.48 1n3j h GLY 44 N -1.18 0.00 0.98 2.65 0.00 -1.26 1.41 103.07 105.67 1n3j h GLY 44 Ca -0.11 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1n3j h GLY 44 CO 0.17 0.00 -1.10 2.41 0.00 0.00 0.00 176.54 178.02 1n3j n THR 45 N -4.00 0.73 -0.09 4.70 -1.04 -0.97 -3.85 114.28 109.77 1n3j n THR 45 Ca 0.24 -0.58 -0.23 0.00 -2.04 0.00 0.00 64.05 61.44 1n3j n THR 45 Cb 1.22 -0.42 -0.12 0.00 -1.82 0.00 0.00 70.33 69.20 1n3j n THR 45 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1n3j n ALA 46 N -2.23 0.88 0.35 2.41 0.00 0.44 -4.29 120.51 118.08 1n3j n ALA 46 Ca -0.02 -0.61 0.01 0.00 0.00 0.00 0.00 53.44 52.82 1n3j n ALA 46 Cb 0.61 -0.47 0.13 0.00 0.00 0.00 0.00 19.45 19.72 1n3j n ALA 46 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1n3j n LEU 47 N -4.23 2.81 -4.51 0.00 -0.00 0.12 -4.90 117.00 106.28 1n3j n LEU 47 Ca -0.36 -1.43 -0.25 0.00 -0.00 0.00 0.00 56.01 53.97 1n3j n LEU 47 Cb 0.78 -0.57 -0.18 0.00 -0.00 0.00 0.00 43.42 43.45 1n3j n LEU 47 CO 0.20 0.42 1.98 -0.62 -0.00 0.00 0.00 177.39 179.37 1n3j n GLU 48 N 0.18 0.14 0.00 1.47 -0.58 -1.25 -4.51 120.64 116.09 1n3j n GLU 48 Ca 0.11 -0.13 0.00 0.00 -0.42 0.00 0.00 57.16 56.71 1n3j n GLU 48 Cb 0.61 -1.66 0.00 0.00 -0.57 0.00 0.00 31.44 29.83 1n3j n GLU 48 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1n3j n ASP 49 N 9.15 0.00 -3.72 1.62 9.92 -1.26 -4.99 116.55 127.27 1n3j n ASP 49 Ca 0.63 0.00 -0.39 0.00 -0.53 0.00 0.00 54.79 54.50 1n3j n ASP 49 Cb 0.18 0.00 -0.00 0.00 -0.64 0.00 0.00 41.12 40.66 1n3j n ASP 49 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1n3j n TYR 50 N 0.00 2.73 -1.70 1.24 4.02 -1.13 -4.93 117.16 117.40 1n3j n TYR 50 Ca 0.00 -2.89 -0.42 0.00 -0.01 0.00 0.00 57.90 54.58 1n3j n TYR 50 Cb 0.00 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 38.24 1n3j n TYR 50 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1n3j n LEU 51 N 0.68 3.78 -3.45 7.72 7.99 -1.26 -0.32 117.00 132.13 1n3j n LEU 51 Ca 0.34 1.17 -0.24 0.00 -0.01 0.00 0.00 56.01 57.27 1n3j n LEU 51 Cb 0.32 -1.50 -0.11 0.00 -0.11 0.00 0.00 43.42 42.02 1n3j n LEU 51 CO 0.59 -0.51 -0.26 0.12 -1.51 0.00 0.00 177.39 175.82 1n3j s PHE 52 N -1.13 0.18 0.18 -1.77 2.19 0.91 -4.86 117.98 113.67 1n3j s PHE 52 Ca 0.57 -0.98 0.11 0.00 0.33 0.00 0.00 56.93 56.96 1n3j s PHE 52 Cb -0.54 -0.72 -0.04 0.00 -1.31 0.00 0.00 43.02 40.41 1n3j s PHE 52 CO 0.61 -0.88 -0.24 0.45 1.83 0.00 0.00 175.22 176.99 1n3j s SER 53 N 1.67 3.42 -0.19 6.13 0.15 -1.26 -2.53 113.70 121.08 1n3j s SER 53 Ca 0.14 -0.85 -0.04 0.00 0.70 0.00 0.00 55.95 55.89 1n3j s SER 53 Cb -0.18 -0.25 0.08 0.00 -1.71 0.00 0.00 66.02 63.96 1n3j s SER 53 CO -0.17 0.13 0.17 -0.60 1.20 0.00 0.00 173.24 173.98 1n3j s ARG 54 N -2.59 0.15 0.00 5.44 3.52 0.12 -4.96 118.95 120.62 1n3j s ARG 54 Ca 0.20 0.09 0.00 0.00 -0.13 0.00 0.00 55.73 55.89 1n3j s ARG 54 Cb -0.08 -1.43 0.00 0.00 -1.56 0.00 0.00 34.95 31.88 1n3j s ARG 54 CO 0.09 -0.67 0.00 1.17 -0.81 0.00 0.00 175.30 175.08 1n3j n LYS 55 N 5.30 0.00 -0.02 5.12 3.00 -1.26 -1.88 118.16 128.43 1n3j n LYS 55 Ca -0.06 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.23 1n3j n LYS 55 Cb 0.49 0.00 -0.02 0.00 0.00 0.00 0.00 35.03 35.50 1n3j n LYS 55 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.40 177.67 1n3j n ASN 56 N 0.75 4.09 -4.69 3.14 6.94 -1.26 -5.00 115.26 119.23 1n3j n ASN 56 Ca 0.00 -0.01 -0.42 0.00 -0.02 0.00 0.00 54.58 54.13 1n3j n ASN 56 Cb 0.00 0.41 -0.03 0.00 -2.36 0.00 0.00 39.78 37.80 1n3j n ASN 56 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 1n3j s MET 57 N -2.08 4.19 -0.27 -3.83 -1.94 -0.79 -4.78 119.30 109.80 1n3j s MET 57 Ca -0.03 2.39 0.01 0.00 -1.71 0.00 0.00 55.69 56.35 1n3j s MET 57 Cb 0.01 -3.58 0.08 0.00 2.01 0.00 0.00 34.83 33.34 1n3j s MET 57 CO 0.12 -0.75 0.00 -1.12 -0.01 0.00 0.00 175.02 173.26 1n3j s SER 58 N 2.43 4.05 0.27 3.03 0.01 -1.12 -0.70 113.70 121.67 1n3j s SER 58 Ca 0.75 -1.46 0.04 0.00 1.31 0.00 0.00 55.95 56.59 1n3j s SER 58 Cb -0.41 -1.18 -0.01 0.00 0.21 0.00 0.00 66.02 64.62 1n3j s SER 58 CO 0.33 -0.31 0.14 0.00 0.41 0.00 0.00 173.24 173.81 1n3j n ALA 59 N 4.64 0.45 -3.08 1.44 0.00 -1.05 -1.23 120.51 121.67 1n3j n ALA 59 Ca -0.07 -1.45 -0.12 0.00 0.00 0.00 0.00 53.44 51.81 1n3j n ALA 59 Cb 0.43 1.04 -0.08 0.00 0.00 0.00 0.00 19.45 20.85 1n3j n ALA 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1n3j s MET 60 N -3.06 0.77 0.00 0.00 0.23 -0.81 -0.06 119.30 116.37 1n3j s MET 60 Ca 0.20 -0.40 0.00 0.00 -1.03 0.00 0.00 55.69 54.45 1n3j s MET 60 Cb 0.01 0.33 0.00 0.00 -1.53 0.00 0.00 34.83 33.64 1n3j s MET 60 CO 0.14 -0.24 0.00 0.00 -2.03 0.00 0.00 175.02 172.89 1n3j n ALA 61 N 0.80 0.00 -2.68 3.16 0.00 0.56 -2.31 120.51 120.04 1n3j n ALA 61 Ca -0.20 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 1n3j n ALA 61 Cb 0.58 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.13 1n3j n ALA 61 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.50 178.97 1n3j n LEU 62 N 0.00 -1.54 0.00 0.00 -0.00 -1.26 -2.82 117.00 111.37 1n3j n LEU 62 Ca 0.00 -2.30 0.00 0.00 -0.00 0.00 0.00 56.01 53.71 1n3j n LEU 62 Cb 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 43.42 44.34 1n3j n LEU 62 CO 0.00 1.71 0.00 0.61 -0.00 0.00 0.00 177.39 179.71 1n3j n GLY 63 N 0.64 1.87 0.03 1.47 0.00 -1.26 -4.87 105.19 103.06 1n3j n GLY 63 Ca -0.02 -0.32 0.09 0.00 0.00 0.00 0.00 46.02 45.77 1n3j n GLY 63 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1n3j n PHE 64 N 0.00 0.08 -0.12 1.61 -0.00 -1.26 -3.97 117.46 113.81 1n3j n PHE 64 Ca 0.00 0.02 -0.05 0.00 -0.00 0.00 0.00 57.45 57.42 1n3j n PHE 64 Cb 0.00 -0.58 0.03 0.00 -0.00 0.00 0.00 39.48 38.92 1n3j n PHE 64 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 176.76 177.54 1n3j h GLY 65 N 4.00 0.50 1.54 7.13 0.00 -1.88 0.13 103.07 114.49 1n3j h GLY 65 Ca -0.05 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 47.13 1n3j h GLY 65 CO 0.00 0.02 -0.13 0.00 0.00 0.00 0.00 176.54 176.44 1n3j h ALA 66 N 1.26 1.19 0.00 3.60 0.00 -1.95 -1.19 119.26 122.17 1n3j h ALA 66 Ca 0.18 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1n3j h ALA 66 Cb 0.17 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 1n3j h ALA 66 CO -0.19 0.52 -0.07 0.82 0.00 0.00 0.00 179.25 180.33 1n3j h ILE 67 N 0.51 0.41 0.00 0.00 2.04 -1.16 -1.59 117.51 117.72 1n3j h ILE 67 Ca 0.09 -0.35 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 1n3j h ILE 67 Cb 0.52 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 1n3j h ILE 67 CO 0.03 0.07 -1.17 0.49 0.00 0.00 0.00 178.15 177.56 1n3j n PHE 68 N -3.53 0.92 0.00 1.37 3.72 0.27 -3.53 117.46 116.68 1n3j n PHE 68 Ca -0.02 0.28 -0.11 0.00 -0.05 0.00 0.00 57.45 57.55 1n3j n PHE 68 Cb 0.19 -0.97 -0.04 0.00 -0.94 0.00 0.00 39.48 37.72 1n3j n PHE 68 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 1n3j h ASN 69 N 0.00 -1.00 -0.25 4.37 -0.73 -0.27 -3.28 115.58 114.42 1n3j h ASN 69 Ca -0.05 0.15 -0.12 0.00 1.87 0.00 0.00 56.30 58.15 1n3j h ASN 69 Cb 1.15 0.42 -0.01 0.00 0.27 0.00 0.00 38.32 40.15 1n3j h ASN 69 CO 0.01 -0.36 0.37 -2.28 -0.37 0.00 0.00 177.43 174.81 1n3j s HIS 70 N -6.00 1.44 -0.38 0.67 2.46 -1.25 -4.72 115.29 107.52 1n3j s HIS 70 Ca -0.15 1.71 0.04 0.00 0.47 0.00 0.00 55.06 57.13 1n3j s HIS 70 Cb 0.10 -3.55 0.16 0.00 -0.13 0.00 0.00 32.58 29.17 1n3j s HIS 70 CO 0.66 -0.92 0.45 -1.54 -2.47 0.00 0.00 174.74 170.92 1n3j s SER 71 N 8.10 0.36 0.66 9.88 1.04 -1.24 -4.94 113.70 127.55 1n3j s SER 71 Ca 0.78 -1.27 0.42 0.00 0.48 0.00 0.00 55.95 56.36 1n3j s SER 71 Cb -0.04 0.99 2.34 0.00 0.10 0.00 0.00 66.02 69.40 1n3j s SER 71 CO 0.15 -0.24 2.36 0.50 0.98 0.00 0.00 173.24 176.99 1n3j h LYS 72 N 7.12 0.00 -3.36 4.02 3.64 -1.94 -3.44 116.57 122.62 1n3j h LYS 72 Ca 0.04 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 1n3j h LYS 72 Cb 1.09 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.82 1n3j h LYS 72 CO 0.18 0.00 0.01 -0.51 -2.27 0.00 0.00 179.45 176.86 1n3j s ASP 73 N -5.33 -0.22 -0.69 4.20 1.11 -1.26 -5.08 116.67 109.39 1n3j s ASP 73 Ca -0.05 -0.57 -0.26 0.00 0.18 0.00 0.00 52.55 51.85 1n3j s ASP 73 Cb 0.13 0.59 -0.05 0.00 1.07 0.00 0.00 42.92 44.66 1n3j s ASP 73 CO 0.43 -1.08 2.02 -2.16 1.18 0.00 0.00 175.17 175.56 1n3j s PRO 74 N -3.90 2.43 0.08 8.23 0.04 -1.26 -4.82 135.00 135.80 1n3j s PRO 74 Ca 0.12 0.45 -0.16 0.00 0.04 0.00 0.00 61.00 61.45 1n3j s PRO 74 Cb -0.01 -4.65 -0.12 0.00 0.04 0.00 0.00 34.50 29.76 1n3j s PRO 74 CO -0.00 -3.16 1.35 -0.97 0.04 0.00 0.00 177.00 174.27 1n3j h ASN 75 N 14.38 0.68 -4.93 6.66 -0.73 -1.86 -3.48 115.58 126.30 1n3j h ASN 75 Ca -0.13 -0.53 0.05 0.00 1.87 0.00 0.00 56.30 57.56 1n3j h ASN 75 Cb 1.12 -0.20 -0.11 0.00 0.27 0.00 0.00 38.32 39.40 1n3j h ASN 75 CO 1.19 1.08 0.32 0.00 -0.37 0.00 0.00 177.43 179.64 1n3j s ALA 76 N -4.14 -1.61 0.56 1.57 0.00 -1.26 -4.17 121.76 112.71 1n3j s ALA 76 Ca -0.13 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.32 1n3j s ALA 76 Cb 0.07 0.73 0.03 0.00 0.00 0.00 0.00 23.12 23.96 1n3j s ALA 76 CO 0.82 -0.81 0.79 0.50 0.00 0.00 0.00 175.76 177.06 1n3j s ARG 77 N -3.56 2.55 0.08 0.00 3.52 -0.50 -3.58 118.95 117.46 1n3j s ARG 77 Ca 0.05 -0.70 -0.10 0.00 -0.13 0.00 0.00 55.73 54.85 1n3j s ARG 77 Cb -0.02 -2.46 0.00 0.00 -1.56 0.00 0.00 34.95 30.92 1n3j s ARG 77 CO -0.08 -0.73 0.22 -3.38 -0.81 0.00 0.00 175.30 170.52 1n3j s HIS 78 N -2.80 0.09 -0.40 5.12 -3.43 -1.26 -2.25 115.29 110.36 1n3j s HIS 78 Ca 0.57 -0.45 0.05 0.00 -0.80 0.00 0.00 55.06 54.43 1n3j s HIS 78 Cb -0.10 -0.02 0.16 0.00 -1.43 0.00 0.00 32.58 31.19 1n3j s HIS 78 CO 0.39 -0.53 0.45 -1.21 -2.00 0.00 0.00 174.74 171.84 1n3j s GLU 79 N -3.52 0.74 -0.42 -0.38 2.02 0.67 -4.91 118.70 112.89 1n3j s GLU 79 Ca 0.02 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1n3j s GLU 79 Cb 0.03 -0.56 0.13 0.00 0.10 0.00 0.00 34.13 33.83 1n3j s GLU 79 CO -0.09 -1.22 0.20 -0.51 0.02 0.00 0.00 175.26 173.66 1n3j s LEU 80 N 1.34 2.98 0.00 1.80 1.02 -0.97 0.26 118.68 125.11 1n3j s LEU 80 Ca 0.19 -2.47 -0.01 0.00 0.02 0.00 0.00 54.13 51.87 1n3j s LEU 80 Cb -0.11 -1.13 0.00 0.00 0.02 0.00 0.00 46.19 44.98 1n3j s LEU 80 CO -0.05 -0.30 0.04 0.35 0.02 0.00 0.00 176.35 176.42 1n3j n THR 81 N 3.77 0.00 -0.00 5.49 -2.24 0.94 -4.32 114.28 117.92 1n3j n THR 81 Ca 0.06 -0.03 0.00 0.00 -2.27 0.00 0.00 64.05 61.81 1n3j n THR 81 Cb 0.36 0.04 -0.01 0.00 -2.10 0.00 0.00 70.33 68.62 1n3j n THR 81 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n3j n ALA 82 N -2.90 2.02 -1.21 6.98 0.00 -1.26 -4.57 120.51 119.58 1n3j n ALA 82 Ca -0.01 -0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.37 1n3j n ALA 82 Cb 0.03 0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.53 1n3j n ALA 82 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1n3j n GLY 83 N 2.61 1.49 0.00 0.00 0.00 -1.26 -5.03 105.19 103.00 1n3j n GLY 83 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1n3j n GLY 83 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1n3j n LEU 84 N 0.00 0.00 0.00 0.99 4.77 -1.26 -4.88 117.00 116.62 1n3j n LEU 84 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 1n3j n LEU 84 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 1n3j n LEU 84 CO 0.00 -0.22 0.00 0.29 -1.33 0.00 0.00 177.39 176.13 1n3j n LYS 85 N -0.45 0.00 0.00 3.23 4.76 -1.26 -4.63 118.16 119.81 1n3j n LYS 85 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 1n3j n LYS 85 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 1n3j n LYS 85 CO 0.00 0.00 0.00 -2.13 -1.37 0.00 0.00 177.40 173.90 1n3j n ARG 86 N 13.91 0.00 -2.55 1.97 0.63 -1.25 -4.99 116.66 124.37 1n3j n ARG 86 Ca 0.00 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.81 1n3j n ARG 86 Cb 0.00 0.00 0.03 0.00 0.45 0.00 0.00 32.46 32.94 1n3j n ARG 86 CO 0.00 0.00 0.00 -0.12 -2.51 0.00 0.00 177.63 175.00 1n3j n MET 87 N 0.00 2.27 -3.94 -0.14 0.00 -0.01 -0.04 117.12 115.26 1n3j n MET 87 Ca 0.00 -3.75 -0.10 0.00 -0.00 0.00 0.00 57.70 53.85 1n3j n MET 87 Cb 0.00 -1.77 -0.06 0.00 0.00 0.00 0.00 33.22 31.39 1n3j n MET 87 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1n3j s ARG 88 N -3.53 1.29 0.03 2.12 0.52 0.14 -4.89 118.95 114.63 1n3j s ARG 88 Ca 0.36 -1.15 0.05 0.00 -0.52 0.00 0.00 55.73 54.47 1n3j s ARG 88 Cb 0.39 0.42 -0.02 0.00 0.52 0.00 0.00 34.95 36.26 1n3j s ARG 88 CO -0.03 -0.50 -0.15 0.42 0.02 0.00 0.00 175.30 175.06 1n3j s ILE 89 N -3.97 1.22 0.03 1.52 1.01 -0.59 -0.24 121.20 120.18 1n3j s ILE 89 Ca 0.18 -0.94 0.08 0.00 0.00 0.00 0.00 60.65 59.97 1n3j s ILE 89 Cb 0.02 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 1n3j s ILE 89 CO 0.02 0.12 -0.24 0.12 0.00 0.00 0.00 174.94 174.96 1n3j s PHE 90 N -0.71 2.11 -0.40 3.97 5.36 -0.95 -0.95 117.98 126.40 1n3j s PHE 90 Ca 0.04 -0.40 -0.00 0.00 -0.96 0.00 0.00 56.93 55.61 1n3j s PHE 90 Cb -0.07 -1.28 0.11 0.00 -0.34 0.00 0.00 43.02 41.44 1n3j s PHE 90 CO 0.01 0.08 0.17 0.99 -1.46 0.00 0.00 175.22 175.00 1n3j s THR 91 N -0.75 2.96 -1.40 0.12 2.01 -0.75 -1.41 115.64 116.41 1n3j s THR 91 Ca 0.10 -2.22 0.14 0.00 0.31 0.00 0.00 61.69 60.02 1n3j s THR 91 Cb -0.09 -3.07 0.24 0.00 0.01 0.00 0.00 72.50 69.59 1n3j s THR 91 CO 0.01 -0.67 1.40 2.30 -0.69 0.00 0.00 174.62 176.97 1n3j n ILE 92 N 4.40 0.62 -4.71 1.82 -0.00 -1.26 -0.48 119.36 119.75 1n3j n ILE 92 Ca 0.00 0.16 -0.33 0.00 -0.00 0.00 0.00 62.75 62.58 1n3j n ILE 92 Cb 0.41 -0.92 -0.12 0.00 -0.00 0.00 0.00 39.64 39.02 1n3j n ILE 92 CO 0.00 0.00 0.00 -0.54 -0.00 0.00 0.00 176.55 176.01 1n3j s LYS 93 N -2.60 2.76 0.41 6.28 1.02 -1.26 -4.37 119.74 121.99 1n3j s LYS 93 Ca 0.13 -0.60 -0.24 0.00 0.02 0.00 0.00 55.97 55.28 1n3j s LYS 93 Cb 0.10 -2.54 -0.11 0.00 -0.52 0.00 0.00 37.83 34.75 1n3j s LYS 93 CO 0.22 0.60 0.94 -2.30 -0.92 0.00 0.00 175.35 173.89 1n3j n PRO 94 N 2.40 1.21 -3.13 -1.68 -0.01 -1.26 -4.51 135.00 128.02 1n3j n PRO 94 Ca -0.18 0.43 -0.28 0.00 -0.01 0.00 0.00 63.50 63.46 1n3j n PRO 94 Cb 0.53 -1.94 -0.02 0.00 -0.01 0.00 0.00 33.50 32.05 1n3j n PRO 94 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 175.50 175.91 1n3j s ILE 95 N -1.29 4.96 -0.39 4.25 -1.09 -0.20 -4.84 121.20 122.60 1n3j s ILE 95 Ca 0.63 0.15 0.07 0.00 -2.23 0.00 0.00 60.65 59.27 1n3j s ILE 95 Cb -0.57 -3.77 0.44 0.00 -1.58 0.00 0.00 42.46 36.98 1n3j s ILE 95 CO 0.57 -0.47 1.11 0.00 -1.23 0.00 0.00 174.94 174.92 1n3j n ALA 96 N -1.30 4.84 -3.41 9.38 0.00 -1.26 -2.38 120.51 126.37 1n3j n ALA 96 Ca -0.01 -4.05 -0.20 0.00 0.00 0.00 0.00 53.44 49.18 1n3j n ALA 96 Cb 0.54 -0.53 -0.04 0.00 0.00 0.00 0.00 19.45 19.42 1n3j n ALA 96 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 1n3j n ILE 97 N -0.50 0.00 0.00 0.00 3.06 -1.26 -4.07 119.36 116.59 1n3j n ILE 97 Ca 0.37 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.62 1n3j n ILE 97 Cb 0.75 -0.23 0.00 0.00 0.54 0.00 0.00 39.64 40.70 1n3j n ILE 97 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1n3j n GLY 98 N -0.75 0.00 3.87 4.50 0.00 0.07 -4.46 105.19 108.42 1n3j n GLY 98 Ca 0.06 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 1n3j n GLY 98 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n3j s GLU 99 N 0.00 2.63 0.13 1.61 2.12 -0.87 -4.85 118.70 119.47 1n3j s GLU 99 Ca 0.00 -1.42 -0.01 0.00 0.36 0.00 0.00 54.97 53.90 1n3j s GLU 99 Cb 0.00 -2.44 -0.04 0.00 0.26 0.00 0.00 34.13 31.91 1n3j s GLU 99 CO 0.00 -0.07 0.31 -1.83 -0.54 0.00 0.00 175.26 173.13 1n3j s GLU 100 N -4.08 3.50 0.14 4.30 -1.05 -1.26 -0.08 118.70 120.17 1n3j s GLU 100 Ca 0.45 -0.35 0.07 0.00 -0.15 0.00 0.00 54.97 54.99 1n3j s GLU 100 Cb -0.05 -2.93 -0.04 0.00 -0.44 0.00 0.00 34.13 30.67 1n3j s GLU 100 CO 0.28 0.51 -0.17 0.42 0.95 0.00 0.00 175.26 177.25 1n3j s ILE 101 N -1.67 1.59 0.00 1.83 1.01 0.18 -4.87 121.20 119.28 1n3j s ILE 101 Ca 0.37 -1.78 0.00 0.00 0.00 0.00 0.00 60.65 59.24 1n3j s ILE 101 Cb -0.12 -1.67 0.00 0.00 0.01 0.00 0.00 42.46 40.68 1n3j s ILE 101 CO 0.27 -0.33 0.00 0.35 0.00 0.00 0.00 174.94 175.24 1n3j n THR 102 N 0.50 0.00 -2.86 2.92 -2.24 -1.26 -3.07 114.28 108.27 1n3j n THR 102 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1n3j n THR 102 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1n3j n THR 102 CO 0.00 0.00 0.00 2.30 -0.57 0.00 0.00 175.07 176.80 1n3j n ILE 103 N 0.00 0.00 -2.38 2.28 -5.35 -1.23 -4.26 119.36 108.41 1n3j n ILE 103 Ca 0.00 0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.47 1n3j n ILE 103 Cb 0.00 0.00 -0.01 0.00 -1.74 0.00 0.00 39.64 37.89 1n3j n ILE 103 CO 0.00 0.00 0.00 -0.24 -1.76 0.00 0.00 176.55 174.55 1n3j n SER 104 N -0.89 -6.69 -2.74 7.28 2.88 -1.26 -4.63 113.62 107.56 1n3j n SER 104 Ca 0.00 1.65 -0.08 0.00 -1.33 0.00 0.00 58.87 59.11 1n3j n SER 104 Cb 0.00 -4.65 0.06 0.00 -0.75 0.00 0.00 64.21 58.87 1n3j n SER 104 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1n3j n TYR 105 N 1.88 -3.10 0.00 0.66 9.36 -1.26 -4.56 117.16 120.14 1n3j n TYR 105 Ca -0.08 -1.77 0.00 0.00 3.32 0.00 0.00 57.90 59.38 1n3j n TYR 105 Cb 0.12 1.56 0.00 0.00 -0.63 0.00 0.00 39.34 40.38 1n3j n TYR 105 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1n3j n GLY 106 N 1.37 3.61 2.05 2.98 0.00 -1.26 -4.72 105.19 109.22 1n3j n GLY 106 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1n3j n GLY 106 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1n3j n ASP 107 N 5.02 -0.97 -3.41 1.61 -0.08 -1.26 -4.92 116.55 112.54 1n3j n ASP 107 Ca 0.00 0.33 -0.13 0.00 -1.51 0.00 0.00 54.79 53.48 1n3j n ASP 107 Cb 0.00 1.08 0.01 0.00 2.34 0.00 0.00 41.12 44.55 1n3j n ASP 107 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1n3j n ASP 108 N -2.97 -6.41 -4.58 1.67 2.03 -1.26 -4.75 116.55 100.29 1n3j n ASP 108 Ca 0.00 -0.52 -0.42 0.00 0.52 0.00 0.00 54.79 54.37 1n3j n ASP 108 Cb 0.00 -3.74 -0.03 0.00 -0.72 0.00 0.00 41.12 36.63 1n3j n ASP 108 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1n3j n TYR 109 N -2.38 1.81 -3.74 -0.67 4.01 -1.26 -4.85 117.16 110.07 1n3j n TYR 109 Ca -0.13 -0.04 0.01 0.00 -0.16 0.00 0.00 57.90 57.57 1n3j n TYR 109 Cb 0.59 -2.69 0.00 0.00 -0.31 0.00 0.00 39.34 36.92 1n3j n TYR 109 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1n3j s TRP 110 N 9.14 -0.03 0.00 -0.72 -0.11 -1.26 -5.19 118.94 120.77 1n3j s TRP 110 Ca 1.01 -0.14 0.00 0.00 1.22 0.00 0.00 56.10 58.20 1n3j s TRP 110 Cb -0.34 0.58 0.00 0.00 -1.50 0.00 0.00 33.47 32.20 1n3j s TRP 110 CO 0.34 -0.41 0.00 1.47 -4.62 0.00 0.00 176.95 173.74 1n3j n LEU 111 N -0.60 0.00 -0.82 5.86 -0.00 -1.26 -5.09 117.00 115.09 1n3j n LEU 111 Ca -0.05 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 55.94 1n3j n LEU 111 Cb 0.61 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 44.02 1n3j n LEU 111 CO 0.14 0.00 0.14 -1.54 -0.00 0.00 0.00 177.39 176.13 1n3j n SER 112 N -0.34 -0.31 -2.97 1.45 3.41 -1.26 -5.06 113.62 108.54 1n3j n SER 112 Ca 0.00 -0.69 -0.09 0.00 -0.26 0.00 0.00 58.87 57.83 1n3j n SER 112 Cb 0.00 0.10 0.01 0.00 -0.26 0.00 0.00 64.21 64.06 1n3j n SER 112 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1n3j n ARG 113 N -0.07 -2.36 -1.86 4.33 5.12 -1.26 -4.88 116.66 115.69 1n3j n ARG 113 Ca -0.08 2.03 -0.38 0.00 -1.93 0.00 0.00 57.85 57.50 1n3j n ARG 113 Cb 0.41 -4.20 0.04 0.00 -1.16 0.00 0.00 32.46 27.55 1n3j n ARG 113 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1n3j s PRO 114 N -1.96 3.09 -0.45 5.56 0.04 -1.26 -4.99 135.00 135.03 1n3j s PRO 114 Ca 0.14 2.11 0.07 0.00 0.04 0.00 0.00 61.00 63.36 1n3j s PRO 114 Cb -0.03 -2.16 0.24 0.00 0.04 0.00 0.00 34.50 32.58 1n3j s PRO 114 CO 0.66 -1.19 0.54 0.54 0.04 0.00 0.00 177.00 177.59 1n3j n ARG 115 N -1.18 1.01 -2.03 4.56 1.74 -1.26 -5.02 116.66 114.47 1n3j n ARG 115 Ca 0.11 -3.52 -0.38 0.00 -0.77 0.00 0.00 57.85 53.29 1n3j n ARG 115 Cb 0.46 -1.50 -0.03 0.00 -1.02 0.00 0.00 32.46 30.38 1n3j n ARG 115 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 1n3j n LEU 116 N 1.52 4.52 -4.55 0.55 0.00 -1.26 -4.88 117.00 112.89 1n3j n LEU 116 Ca 0.24 -3.55 -0.14 0.00 0.00 0.00 0.00 56.01 52.57 1n3j n LEU 116 Cb 0.50 -1.62 -0.09 0.00 0.00 0.00 0.00 43.42 42.20 1n3j n LEU 116 CO 0.21 -0.41 1.23 0.35 0.00 0.00 0.00 177.39 178.77 1n3j n THR 117 N 6.57 0.00 0.00 1.96 -2.24 -1.26 -4.52 114.28 114.78 1n3j n THR 117 Ca 0.48 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.86 1n3j n THR 117 Cb 0.44 -1.85 0.00 0.00 -2.10 0.00 0.00 70.33 66.82 1n3j n THR 117 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1n3j n GLN 118 N 8.42 0.00 0.00 -0.78 3.00 -1.26 -5.21 117.38 121.55 1n3j n GLN 118 Ca 0.46 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.45 1n3j n GLN 118 Cb 0.42 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.66 1n3j n GLN 118 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33