#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4n n ASN 2 N 0.00 2.30 -4.63 6.12 3.02 -1.26 -4.88 115.26 115.93 3i4n n ASN 2 Ca 0.00 -2.22 -0.43 0.00 -0.03 0.00 0.00 54.58 51.90 3i4n n ASN 2 Cb 0.00 -0.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.60 3i4n n ASN 2 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4n s ALA 3 N -1.14 3.29 1.14 5.41 0.00 -1.26 -4.98 121.76 124.22 3i4n s ALA 3 Ca 0.11 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.37 3i4n s ALA 3 Cb 0.09 -3.84 0.15 0.00 0.00 0.00 0.00 23.12 19.51 3i4n s ALA 3 CO 0.03 -1.92 0.22 -0.35 0.00 0.00 0.00 175.76 173.74 3i4n n PRO 4 N 7.62 -1.86 -2.85 0.00 -0.04 -1.26 -4.84 135.00 131.76 3i4n n PRO 4 Ca 0.19 -0.52 -0.41 0.00 -0.04 0.00 0.00 63.50 62.71 3i4n n PRO 4 Cb 0.45 -1.80 -0.04 0.00 -0.04 0.00 0.00 33.50 32.08 3i4n n PRO 4 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3i4n s ASP 5 N -1.96 7.09 0.20 3.54 -1.08 -1.26 -4.94 116.67 118.26 3i4n s ASP 5 Ca 0.59 1.33 -0.22 0.00 -0.52 0.00 0.00 52.55 53.73 3i4n s ASP 5 Cb -0.15 -2.49 0.12 0.00 -1.46 0.00 0.00 42.92 38.95 3i4n s ASP 5 CO 0.66 -0.33 1.53 0.54 0.52 0.00 0.00 175.17 178.09 3i4n n ARG 6 N 4.67 -0.31 0.00 4.34 5.12 -1.26 -0.05 116.66 129.17 3i4n n ARG 6 Ca 0.04 1.51 0.00 0.00 -1.93 0.00 0.00 57.85 57.47 3i4n n ARG 6 Cb 0.50 -2.23 0.00 0.00 -1.16 0.00 0.00 32.46 29.57 3i4n n ARG 6 CO 0.00 0.00 0.00 1.97 -1.93 0.00 0.00 177.63 177.67 3i4n n PHE 7 N -5.37 0.00 0.81 -1.55 1.16 -1.26 -2.65 117.46 108.61 3i4n n PHE 7 Ca 0.07 0.00 0.07 0.00 -1.87 0.00 0.00 57.45 55.72 3i4n n PHE 7 Cb 0.34 -0.42 0.39 0.00 -1.61 0.00 0.00 39.48 38.18 3i4n n PHE 7 CO 0.00 0.00 0.00 0.39 -1.87 0.00 0.00 176.76 175.28 3i4n n GLU 8 N -1.42 0.39 0.00 3.97 1.02 0.92 -2.76 120.64 122.77 3i4n n GLU 8 Ca 0.00 0.02 0.14 0.00 -0.02 0.00 0.00 57.16 57.30 3i4n n GLU 8 Cb 0.01 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.49 3i4n n GLU 8 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3i4n n LEU 9 N -1.03 0.30 0.00 -4.62 4.77 -1.08 -4.27 117.00 111.06 3i4n n LEU 9 Ca 0.10 0.17 0.00 0.00 -0.03 0.00 0.00 56.01 56.25 3i4n n LEU 9 Cb 0.05 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.85 3i4n n LEU 9 CO 0.08 0.06 0.04 2.22 -1.33 0.00 0.00 177.39 178.46 3i4n n PHE 10 N -1.25 0.00 -3.67 -1.77 -0.00 -1.11 -4.36 117.46 105.30 3i4n n PHE 10 Ca 0.11 0.00 -0.39 0.00 -0.00 0.00 0.00 57.45 57.17 3i4n n PHE 10 Cb 0.30 0.04 -0.10 0.00 -0.00 0.00 0.00 39.48 39.72 3i4n n PHE 10 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.76 176.25 3i4n s LEU 11 N 0.00 5.34 -0.24 5.98 2.01 -1.13 -4.99 118.68 125.65 3i4n s LEU 11 Ca 0.00 -1.86 -0.28 0.00 0.01 0.00 0.00 54.13 51.99 3i4n s LEU 11 Cb 0.00 -1.92 -0.04 0.00 0.01 0.00 0.00 46.19 44.24 3i4n s LEU 11 CO 0.00 -0.59 2.02 -0.76 1.01 0.00 0.00 176.35 178.03 3i4n s LEU 12 N 1.28 3.57 -0.29 1.79 1.02 -1.26 -4.84 118.68 119.94 3i4n s LEU 12 Ca 0.06 1.73 -0.18 0.00 0.02 0.00 0.00 54.13 55.76 3i4n s LEU 12 Cb -0.24 -3.52 -0.02 0.00 0.02 0.00 0.00 46.19 42.43 3i4n s LEU 12 CO -0.02 -1.76 0.53 -0.83 0.02 0.00 0.00 176.35 174.30 3i4n s GLY 13 N 6.98 1.82 0.01 -3.19 0.00 -1.26 -4.83 107.32 106.86 3i4n s GLY 13 Ca 0.91 -0.72 0.00 0.00 0.00 0.00 0.00 44.72 44.90 3i4n s GLY 13 CO 0.35 1.28 0.00 1.18 0.00 0.00 0.00 173.10 175.91 3i4n n GLU 14 N 5.66 -1.48 -3.24 2.90 1.02 -1.26 -4.56 120.64 119.68 3i4n n GLU 14 Ca -0.04 1.07 -0.10 0.00 -0.02 0.00 0.00 57.16 58.08 3i4n n GLU 14 Cb 0.49 -1.69 0.01 0.00 -0.02 0.00 0.00 31.44 30.23 3i4n n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i4n n GLY 15 N 1.94 -0.17 2.74 0.62 0.00 -1.26 -4.99 105.19 104.07 3i4n n GLY 15 Ca 0.00 0.32 -0.06 0.00 0.00 0.00 0.00 46.02 46.28 3i4n n GLY 15 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i4n n GLU 16 N 0.89 0.60 -1.68 1.61 1.02 -1.26 -5.14 120.64 116.67 3i4n n GLU 16 Ca -0.02 -1.65 -0.41 0.00 -0.02 0.00 0.00 57.16 55.06 3i4n n GLU 16 Cb 0.52 -1.24 0.01 0.00 -0.02 0.00 0.00 31.44 30.71 3i4n n GLU 16 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 3i4n n SER 17 N 2.08 2.30 -0.09 1.62 2.88 -1.26 -4.86 113.62 116.28 3i4n n SER 17 Ca 0.11 1.10 -0.11 0.00 -1.33 0.00 0.00 58.87 58.64 3i4n n SER 17 Cb 0.62 -1.47 -0.08 0.00 -0.75 0.00 0.00 64.21 62.53 3i4n n SER 17 CO 0.00 0.00 0.00 0.11 -1.23 0.00 0.00 175.04 173.92 3i4n h LYS 18 N 1.98 -0.31 -6.79 -1.46 1.79 -1.90 -3.41 116.57 106.47 3i4n h LYS 18 Ca -0.47 0.02 -0.47 0.00 -2.18 0.00 0.00 60.65 57.56 3i4n h LYS 18 Cb 1.30 0.07 0.03 0.00 -1.58 0.00 0.00 32.23 32.06 3i4n h LYS 18 CO 0.59 -0.21 -0.03 -0.51 -1.08 0.00 0.00 179.45 178.21 3i4n s LEU 19 N -9.19 3.59 -0.30 2.94 1.43 -1.26 -0.71 118.68 115.18 3i4n s LEU 19 Ca -0.11 0.42 -0.07 0.00 -1.03 0.00 0.00 54.13 53.34 3i4n s LEU 19 Cb 0.06 -3.29 0.18 0.00 0.03 0.00 0.00 46.19 43.17 3i4n s LEU 19 CO 0.47 -0.74 0.82 -0.75 0.23 0.00 0.00 176.35 176.38 3i4n s LYS 20 N -4.64 0.39 -0.30 1.70 2.20 -1.14 -4.91 119.74 113.03 3i4n s LYS 20 Ca 0.49 0.70 -0.05 0.00 -0.36 0.00 0.00 55.97 56.76 3i4n s LYS 20 Cb -0.10 0.39 0.03 0.00 -1.51 0.00 0.00 37.83 36.64 3i4n s LYS 20 CO 0.40 -0.40 0.04 0.42 -0.36 0.00 0.00 175.35 175.45 3i4n s ILE 21 N 2.89 3.48 -0.19 5.43 1.01 -1.26 0.10 121.20 132.65 3i4n s ILE 21 Ca 0.09 -1.07 -0.07 0.00 0.00 0.00 0.00 60.65 59.60 3i4n s ILE 21 Cb -0.12 -2.90 -0.04 0.00 0.01 0.00 0.00 42.46 39.41 3i4n s ILE 21 CO -0.16 -0.03 0.06 -1.81 0.00 0.00 0.00 174.94 173.00 3i4n s ASP 22 N 1.38 5.59 -0.25 3.58 1.01 -0.43 -4.95 116.67 122.60 3i4n s ASP 22 Ca -0.01 0.05 -0.29 0.00 0.71 0.00 0.00 52.55 53.02 3i4n s ASP 22 Cb -0.19 -1.96 -0.03 0.00 1.01 0.00 0.00 42.92 41.75 3i4n s ASP 22 CO 0.01 0.15 1.79 -2.16 0.21 0.00 0.00 175.17 175.17 3i4n s PRO 23 N 0.49 3.55 0.15 8.23 0.04 -1.26 -1.33 135.00 144.86 3i4n s PRO 23 Ca 0.03 1.67 -0.33 0.00 0.04 0.00 0.00 61.00 62.41 3i4n s PRO 23 Cb -0.13 -4.15 -0.13 0.00 0.04 0.00 0.00 34.50 30.13 3i4n s PRO 23 CO 0.01 -1.60 1.67 -3.47 0.04 0.00 0.00 177.00 173.64 3i4n n ASP 24 N 9.54 3.48 -0.01 6.66 -0.08 -0.68 -4.86 116.55 130.59 3i4n n ASP 24 Ca 0.22 1.06 0.05 0.00 -1.51 0.00 0.00 54.79 54.61 3i4n n ASP 24 Cb 0.46 -1.48 -0.13 0.00 2.34 0.00 0.00 41.12 42.30 3i4n n ASP 24 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 3i4n n THR 25 N 3.84 0.54 -0.02 5.18 -2.24 -1.26 -4.37 114.28 115.95 3i4n n THR 25 Ca 0.17 -0.61 0.02 0.00 -2.27 0.00 0.00 64.05 61.37 3i4n n THR 25 Cb 0.31 -0.24 0.37 0.00 -2.10 0.00 0.00 70.33 68.67 3i4n n THR 25 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 3i4n h LYS 26 N 0.00 0.57 -5.08 -0.78 1.79 -1.97 -3.45 116.57 107.66 3i4n h LYS 26 Ca -0.14 -0.06 -0.61 0.00 -2.18 0.00 0.00 60.65 57.66 3i4n h LYS 26 Cb 1.35 -0.11 -0.13 0.00 -1.58 0.00 0.00 32.23 31.75 3i4n h LYS 26 CO 0.01 0.45 -0.51 0.00 -1.08 0.00 0.00 179.45 178.32 3i4n s ALA 27 N -5.35 3.37 0.04 3.86 0.00 -1.26 -5.16 121.76 117.26 3i4n s ALA 27 Ca -0.08 -0.89 -0.03 0.00 0.00 0.00 0.00 51.96 50.96 3i4n s ALA 27 Cb 0.17 0.52 -0.04 0.00 0.00 0.00 0.00 23.12 23.76 3i4n s ALA 27 CO 0.75 -0.24 0.24 -1.25 0.00 0.00 0.00 175.76 175.26 3i4n s PRO 28 N -3.75 3.50 -0.74 0.00 0.04 -1.26 -4.62 135.00 128.17 3i4n s PRO 28 Ca 0.17 -0.27 -0.03 0.00 0.04 0.00 0.00 61.00 60.91 3i4n s PRO 28 Cb 0.02 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.52 3i4n s PRO 28 CO 0.11 0.62 0.55 -1.71 0.04 0.00 0.00 177.00 176.61 3i4n n ASN 29 N 0.65 -4.43 -3.58 6.66 2.85 -1.26 -4.77 115.26 111.38 3i4n n ASN 29 Ca -0.08 -0.85 -0.17 0.00 -0.11 0.00 0.00 54.58 53.37 3i4n n ASN 29 Cb 0.52 -1.46 -0.07 0.00 1.24 0.00 0.00 39.78 40.02 3i4n n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i4n s ALA 30 N -2.80 -1.59 0.31 5.20 0.00 -1.26 -2.42 121.76 119.20 3i4n s ALA 30 Ca 0.03 1.24 0.06 0.00 0.00 0.00 0.00 51.96 53.29 3i4n s ALA 30 Cb -0.00 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 3i4n s ALA 30 CO 0.82 -0.34 0.29 0.28 0.00 0.00 0.00 175.76 176.81 3i4n n VAL 31 N 1.26 0.00 -3.63 0.00 0.31 0.10 -1.69 118.33 114.68 3i4n n VAL 31 Ca -0.19 -2.21 -0.17 0.00 -0.01 0.00 0.00 64.34 61.77 3i4n n VAL 31 Cb 0.57 1.13 -0.15 0.00 -0.91 0.00 0.00 33.84 34.48 3i4n n VAL 31 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3i4n s VAL 32 N -3.21 -0.30 -0.14 2.52 1.01 -0.45 -1.28 120.40 118.56 3i4n s VAL 32 Ca 0.36 0.24 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 3i4n s VAL 32 Cb 0.01 -0.40 -0.04 0.00 0.00 0.00 0.00 36.38 35.95 3i4n s VAL 32 CO 0.26 0.06 0.07 -0.63 0.00 0.00 0.00 175.10 174.86 3i4n s ILE 33 N 2.32 4.88 -0.37 2.22 1.01 0.45 -1.31 121.20 130.40 3i4n s ILE 33 Ca 0.03 -0.02 -0.14 0.00 0.00 0.00 0.00 60.65 60.53 3i4n s ILE 33 Cb -0.13 -3.14 -0.00 0.00 0.01 0.00 0.00 42.46 39.20 3i4n s ILE 33 CO -0.08 0.54 0.29 -0.89 0.00 0.00 0.00 174.94 174.81 3i4n s THR 34 N -0.36 5.25 -0.36 2.92 2.01 0.11 -0.36 115.64 124.86 3i4n s THR 34 Ca 0.09 -0.35 -0.18 0.00 0.31 0.00 0.00 61.69 61.55 3i4n s THR 34 Cb -0.12 -3.83 -0.00 0.00 0.01 0.00 0.00 72.50 68.56 3i4n s THR 34 CO 0.02 -0.15 0.53 -0.36 -0.69 0.00 0.00 174.62 173.96 3i4n s PHE 35 N 1.77 3.17 0.06 4.92 0.40 -0.23 -2.91 117.98 125.17 3i4n s PHE 35 Ca 0.07 0.17 -0.19 0.00 -0.60 0.00 0.00 56.93 56.37 3i4n s PHE 35 Cb -0.18 -2.97 -0.07 0.00 0.51 0.00 0.00 43.02 40.31 3i4n s PHE 35 CO 0.11 -0.57 0.57 -1.21 0.70 0.00 0.00 175.22 174.81 3i4n s GLU 36 N 2.45 4.21 -0.97 0.44 0.41 0.11 -2.85 118.70 122.49 3i4n s GLU 36 Ca 0.19 0.73 -0.12 0.00 -0.41 0.00 0.00 54.97 55.37 3i4n s GLU 36 Cb -0.15 -3.25 -0.00 0.00 -1.78 0.00 0.00 34.13 28.95 3i4n s GLU 36 CO 0.14 0.62 0.72 1.63 -0.49 0.00 0.00 175.26 177.87 3i4n n LYS 37 N 1.81 -1.27 -3.67 1.61 4.76 -0.59 -4.79 118.16 116.03 3i4n n LYS 37 Ca -0.10 0.74 -0.07 0.00 -2.87 0.00 0.00 58.31 56.01 3i4n n LYS 37 Cb 0.51 -3.87 -0.02 0.00 -1.84 0.00 0.00 35.03 29.81 3i4n n LYS 37 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3i4n s GLU 38 N -5.14 1.26 0.00 1.97 0.41 -1.24 -4.73 118.70 111.23 3i4n s GLU 38 Ca 0.25 -0.62 0.00 0.00 -0.41 0.00 0.00 54.97 54.18 3i4n s GLU 38 Cb -0.09 0.48 0.00 0.00 -1.78 0.00 0.00 34.13 32.74 3i4n s GLU 38 CO 0.85 -0.57 0.00 -0.40 -0.49 0.00 0.00 175.26 174.65 3i4n n ASP 39 N -0.40 0.00 -0.33 -0.19 5.75 -1.26 -2.90 116.55 117.21 3i4n n ASP 39 Ca -0.08 0.00 0.11 0.00 -0.01 0.00 0.00 54.79 54.81 3i4n n ASP 39 Cb 0.61 0.00 0.29 0.00 -1.03 0.00 0.00 41.12 40.99 3i4n n ASP 39 CO 0.00 0.00 0.00 0.45 -0.11 0.00 0.00 177.20 177.54 3i4n h HIS 40 N 0.00 0.96 -0.84 2.11 3.86 -1.95 1.78 115.15 121.07 3i4n h HIS 40 Ca 0.00 0.03 0.08 0.00 -1.16 0.00 0.00 60.37 59.32 3i4n h HIS 40 Cb 0.00 -0.28 -0.11 0.00 1.06 0.00 0.00 27.41 28.08 3i4n h HIS 40 CO 0.00 0.21 -0.56 1.15 0.86 0.00 0.00 177.93 179.58 3i4n h THR 41 N 0.71 0.00 0.00 2.45 2.02 -2.01 -2.59 112.91 113.49 3i4n h THR 41 Ca 0.54 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.68 3i4n h THR 41 Cb 0.83 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 3i4n h THR 41 CO -0.38 0.00 -0.25 0.25 0.37 0.00 0.00 175.52 175.51 3i4n h LEU 42 N -0.09 0.00 0.00 2.58 6.46 -1.59 -3.40 115.31 119.28 3i4n h LEU 42 Ca 0.14 -0.62 0.00 0.00 -0.12 0.00 0.00 57.88 57.27 3i4n h LEU 42 Cb 0.44 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.37 3i4n h LEU 42 CO -0.83 0.95 0.00 0.61 -0.62 0.00 0.00 178.44 178.55 3i4n n GLY 43 N 1.62 -3.37 0.58 3.75 0.00 0.59 -2.33 105.19 106.04 3i4n n GLY 43 Ca -0.11 0.63 0.44 0.00 0.00 0.00 0.00 46.02 46.97 3i4n n GLY 43 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 3i4n h ASN 44 N 0.00 0.11 0.80 1.61 -1.24 -1.68 0.10 115.58 115.29 3i4n h ASN 44 Ca 0.00 0.06 -0.21 0.00 0.71 0.00 0.00 56.30 56.86 3i4n h ASN 44 Cb 0.00 0.06 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 3i4n h ASN 44 CO 0.00 -0.09 -0.98 0.25 -1.29 0.00 0.00 177.43 175.32 3i4n h LEU 45 N 0.04 0.14 -0.36 0.34 5.85 -1.64 -0.89 115.31 118.79 3i4n h LEU 45 Ca 0.84 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 59.43 3i4n h LEU 45 Cb 3.06 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 44.04 3i4n h LEU 45 CO -0.20 1.04 0.00 0.40 -0.34 0.00 0.00 178.44 179.33 3i4n h ILE 46 N 0.04 0.00 0.10 4.05 2.04 -0.53 -2.56 117.51 120.65 3i4n h ILE 46 Ca -0.04 -0.76 -0.00 0.00 1.00 0.00 0.00 64.86 65.06 3i4n h ILE 46 Cb 1.69 1.74 0.00 0.00 -0.74 0.00 0.00 36.82 39.51 3i4n h ILE 46 CO 0.14 0.00 -0.05 -0.09 0.00 0.00 0.00 178.15 178.15 3i4n h ARG 47 N 0.00 -0.13 0.00 2.37 1.12 -1.10 -2.01 114.38 114.63 3i4n h ARG 47 Ca 0.00 0.01 0.00 0.00 -1.11 0.00 0.00 59.98 58.88 3i4n h ARG 47 Cb 0.81 0.03 0.00 0.00 -0.01 0.00 0.00 29.97 30.80 3i4n h ARG 47 CO 0.00 0.38 0.00 0.00 -3.11 0.00 0.00 179.97 177.24 3i4n n ALA 48 N -2.56 -0.26 -0.34 2.80 0.00 -0.36 -0.86 120.51 118.94 3i4n n ALA 48 Ca -0.08 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.47 3i4n n ALA 48 Cb 0.28 0.19 0.30 0.00 0.00 0.00 0.00 19.45 20.23 3i4n n ALA 48 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i4n h GLU 49 N 0.00 0.82 -0.09 0.00 4.39 -1.62 0.30 114.58 118.38 3i4n h GLU 49 Ca 0.00 -0.05 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 3i4n h GLU 49 Cb 0.00 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.46 3i4n h GLU 49 CO 0.00 0.54 -0.12 1.25 -1.16 0.00 0.00 179.01 179.52 3i4n h LEU 50 N 0.85 0.13 -1.47 1.33 6.46 -1.22 -2.17 115.31 119.21 3i4n h LEU 50 Ca 0.51 -0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 58.25 3i4n h LEU 50 Cb 0.68 -0.03 -0.00 0.00 -0.73 0.00 0.00 40.66 40.58 3i4n h LEU 50 CO -0.29 0.27 0.01 -0.11 -0.62 0.00 0.00 178.44 177.70 3i4n n LEU 51 N -4.33 1.88 -0.05 2.25 7.94 0.11 -3.15 117.00 121.65 3i4n n LEU 51 Ca -0.01 -0.95 -0.05 0.00 -1.11 0.00 0.00 56.01 53.89 3i4n n LEU 51 Cb 0.23 -0.53 -0.07 0.00 0.53 0.00 0.00 43.42 43.58 3i4n n LEU 51 CO 0.37 0.33 -0.81 0.59 -1.11 0.00 0.00 177.39 176.75 3i4n n ASN 52 N 0.11 2.73 -4.58 1.96 3.02 -0.82 -4.92 115.26 112.76 3i4n n ASN 52 Ca 0.05 -0.01 -0.46 0.00 -0.03 0.00 0.00 54.58 54.13 3i4n n ASN 52 Cb 0.42 0.64 -0.04 0.00 -0.61 0.00 0.00 39.78 40.18 3i4n n ASN 52 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3i4n n ASP 53 N -2.40 3.06 -0.15 6.41 -0.08 -1.19 -4.77 116.55 117.44 3i4n n ASP 53 Ca -0.16 0.45 0.12 0.00 -1.51 0.00 0.00 54.79 53.69 3i4n n ASP 53 Cb 0.80 -1.44 0.46 0.00 2.34 0.00 0.00 41.12 43.28 3i4n n ASP 53 CO 0.00 0.00 0.00 0.03 0.12 0.00 0.00 177.20 177.35 3i4n h ARG 54 N 12.97 0.48 0.00 -0.67 2.47 -1.91 -0.08 114.38 127.64 3i4n h ARG 54 Ca -0.39 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.30 3i4n h ARG 54 Cb 1.27 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.48 3i4n h ARG 54 CO 0.97 0.32 0.00 1.63 0.56 0.00 0.00 179.97 183.45 3i4n n LYS 55 N -4.48 0.66 -3.56 0.04 4.76 -1.26 -4.68 118.16 109.64 3i4n n LYS 55 Ca 0.12 0.00 -0.40 0.00 -2.87 0.00 0.00 58.31 55.17 3i4n n LYS 55 Cb 0.41 -1.04 -0.11 0.00 -1.84 0.00 0.00 35.03 32.46 3i4n n LYS 55 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 3i4n s VAL 56 N -2.00 5.21 -0.10 -0.18 1.01 -0.05 -1.97 120.40 122.33 3i4n s VAL 56 Ca 0.02 -0.14 -0.25 0.00 0.00 0.00 0.00 61.98 61.61 3i4n s VAL 56 Cb 0.01 -3.62 -0.28 0.00 0.00 0.00 0.00 36.38 32.48 3i4n s VAL 56 CO 0.02 0.07 0.81 -0.07 0.00 0.00 0.00 175.10 175.92 3i4n h LEU 57 N 8.44 0.22 -7.90 3.92 3.38 -0.28 -3.47 115.31 119.62 3i4n h LEU 57 Ca -0.32 -0.97 -0.23 0.00 0.09 0.00 0.00 57.88 56.45 3i4n h LEU 57 Cb 1.16 -0.07 -0.25 0.00 0.09 0.00 0.00 40.66 41.60 3i4n h LEU 57 CO 0.61 1.20 -0.72 0.12 0.09 0.00 0.00 178.44 179.74 3i4n s PHE 58 N -2.32 0.25 -0.29 1.13 5.36 -0.71 -4.93 117.98 116.47 3i4n s PHE 58 Ca -0.17 -0.25 -0.12 0.00 -0.96 0.00 0.00 56.93 55.43 3i4n s PHE 58 Cb -0.01 -0.17 0.12 0.00 -0.34 0.00 0.00 43.02 42.62 3i4n s PHE 58 CO 0.75 -0.07 0.68 0.00 -1.46 0.00 0.00 175.22 175.12 3i4n s ALA 59 N -0.68 -2.02 0.09 11.12 0.00 -1.24 -0.40 121.76 128.62 3i4n s ALA 59 Ca -0.06 2.36 -0.26 0.00 0.00 0.00 0.00 51.96 54.00 3i4n s ALA 59 Cb -0.05 -1.68 0.08 0.00 0.00 0.00 0.00 23.12 21.47 3i4n s ALA 59 CO -0.00 -0.75 0.85 0.00 0.00 0.00 0.00 175.76 175.86 3i4n s ALA 60 N 2.46 -1.70 0.17 0.00 0.00 -1.05 -4.99 121.76 116.65 3i4n s ALA 60 Ca -0.07 0.59 0.01 0.00 0.00 0.00 0.00 51.96 52.48 3i4n s ALA 60 Cb -0.09 0.59 -0.00 0.00 0.00 0.00 0.00 23.12 23.61 3i4n s ALA 60 CO -0.19 -0.83 0.20 2.48 0.00 0.00 0.00 175.76 177.42 3i4n n TYR 61 N -0.35 -0.71 0.00 0.00 -0.00 -1.26 -1.05 117.16 113.80 3i4n n TYR 61 Ca -0.09 -1.22 0.00 0.00 -0.00 0.00 0.00 57.90 56.59 3i4n n TYR 61 Cb 0.62 0.22 0.00 0.00 -0.00 0.00 0.00 39.34 40.17 3i4n n TYR 61 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 3i4n n LYS 62 N -0.29 0.00 -3.08 -3.48 2.85 -0.83 -4.98 118.16 108.35 3i4n n LYS 62 Ca 0.02 0.00 -0.41 0.00 -1.05 0.00 0.00 58.31 56.87 3i4n n LYS 62 Cb 0.29 0.00 -0.06 0.00 -0.65 0.00 0.00 35.03 34.61 3i4n n LYS 62 CO 0.00 0.00 0.00 0.14 -0.05 0.00 0.00 177.40 177.49 3i4n s VAL 63 N -1.18 4.97 0.28 0.58 -7.23 -1.26 -1.70 120.40 114.86 3i4n s VAL 63 Ca 0.00 1.21 0.02 0.00 -1.81 0.00 0.00 61.98 61.40 3i4n s VAL 63 Cb 0.00 -3.96 0.28 0.00 0.56 0.00 0.00 36.38 33.26 3i4n s VAL 63 CO 0.00 0.03 1.82 -0.33 -0.31 0.00 0.00 175.10 176.31 3i4n h GLU 64 N 7.77 0.88 -1.07 4.82 4.39 -1.87 -3.44 114.58 126.05 3i4n h GLU 64 Ca -0.27 -0.05 0.20 0.00 0.34 0.00 0.00 59.36 59.57 3i4n h GLU 64 Cb 1.12 -0.20 -0.33 0.00 -0.10 0.00 0.00 28.75 29.24 3i4n h GLU 64 CO 0.79 0.58 0.79 -1.58 -1.16 0.00 0.00 179.01 178.43 3i4n s HIS 65 N -5.94 -0.07 0.43 4.33 5.04 -1.26 -5.04 115.29 112.78 3i4n s HIS 65 Ca -0.12 0.15 0.11 0.00 -1.54 0.00 0.00 55.06 53.66 3i4n s HIS 65 Cb 0.23 0.20 0.58 0.00 0.04 0.00 0.00 32.58 33.63 3i4n s HIS 65 CO 0.80 -0.03 1.24 -1.00 -2.34 0.00 0.00 174.74 173.41 3i4n h PRO 66 N 4.44 0.00 0.00 2.88 0.13 -1.97 -0.37 132.00 137.11 3i4n h PRO 66 Ca -0.27 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.69 3i4n h PRO 66 Cb 1.17 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 3i4n h PRO 66 CO 0.21 0.00 -0.81 0.74 -0.23 0.00 0.00 178.00 177.92 3i4n h PHE 67 N 0.00 0.00 -3.32 1.56 0.05 -2.00 -3.44 116.94 109.79 3i4n h PHE 67 Ca 0.00 0.00 -0.65 0.00 3.82 0.00 0.00 57.97 61.14 3i4n h PHE 67 Cb 1.21 0.00 -0.23 0.00 2.00 0.00 0.00 35.95 38.93 3i4n h PHE 67 CO 0.00 0.81 -0.70 -0.06 -0.18 0.00 0.00 178.31 178.17 3i4n s PHE 68 N -2.99 2.94 -0.99 -0.55 2.99 -0.15 -5.04 117.98 114.19 3i4n s PHE 68 Ca 0.01 -0.41 -0.23 0.00 0.00 0.00 0.00 56.93 56.29 3i4n s PHE 68 Cb 0.10 -1.91 0.03 0.00 0.00 0.00 0.00 43.02 41.24 3i4n s PHE 68 CO 0.79 -0.09 1.57 0.00 -0.00 0.00 0.00 175.22 177.49 3i4n s ALA 69 N 0.31 2.46 0.14 5.36 0.00 -1.26 -4.62 121.76 124.14 3i4n s ALA 69 Ca -0.06 -2.06 -0.25 0.00 0.00 0.00 0.00 51.96 49.59 3i4n s ALA 69 Cb -0.15 -4.53 0.08 0.00 0.00 0.00 0.00 23.12 18.52 3i4n s ALA 69 CO 0.04 -3.90 1.06 -0.98 0.00 0.00 0.00 175.76 171.98 3i4n s ARG 70 N 5.48 1.10 -0.27 0.00 1.70 -1.14 -1.54 118.95 124.27 3i4n s ARG 70 Ca 0.52 -0.66 -0.27 0.00 -0.47 0.00 0.00 55.73 54.85 3i4n s ARG 70 Cb -0.02 0.34 0.17 0.00 -0.57 0.00 0.00 34.95 34.87 3i4n s ARG 70 CO -0.07 -0.51 1.31 -0.59 -1.08 0.00 0.00 175.30 174.35 3i4n s PHE 71 N -2.60 -0.14 0.02 5.89 -0.12 -1.13 -4.12 117.98 115.76 3i4n s PHE 71 Ca 0.18 0.31 -0.03 0.00 -0.05 0.00 0.00 56.93 57.33 3i4n s PHE 71 Cb -0.01 0.47 -0.04 0.00 -0.63 0.00 0.00 43.02 42.80 3i4n s PHE 71 CO 0.03 -0.10 0.22 0.15 -0.05 0.00 0.00 175.22 175.47 3i4n s LYS 72 N -0.43 3.49 -0.14 1.99 1.02 -0.69 -1.07 119.74 123.92 3i4n s LYS 72 Ca 0.06 -0.26 0.00 0.00 0.02 0.00 0.00 55.97 55.79 3i4n s LYS 72 Cb -0.03 -3.06 0.02 0.00 -0.52 0.00 0.00 37.83 34.24 3i4n s LYS 72 CO -0.10 0.64 -0.11 -1.17 -0.92 0.00 0.00 175.35 173.69 3i4n s LEU 73 N -2.04 1.51 -0.23 3.17 2.96 0.51 -1.96 118.68 122.61 3i4n s LEU 73 Ca 0.30 -0.44 -0.10 0.00 -0.22 0.00 0.00 54.13 53.67 3i4n s LEU 73 Cb -0.13 -1.04 -0.05 0.00 0.50 0.00 0.00 46.19 45.48 3i4n s LEU 73 CO 0.20 -0.09 0.14 -0.60 -1.32 0.00 0.00 176.35 174.68 3i4n s ARG 74 N 1.58 4.05 -0.07 1.98 3.52 -0.21 -0.41 118.95 129.38 3i4n s ARG 74 Ca 0.05 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.36 3i4n s ARG 74 Cb -0.13 -3.48 0.02 0.00 -1.56 0.00 0.00 34.95 29.80 3i4n s ARG 74 CO -0.10 0.09 -0.05 0.42 -0.81 0.00 0.00 175.30 174.85 3i4n s ILE 75 N 0.96 0.72 0.05 4.11 1.01 -0.41 -2.53 121.20 125.12 3i4n s ILE 75 Ca 0.07 -0.16 0.08 0.00 0.00 0.00 0.00 60.65 60.64 3i4n s ILE 75 Cb -0.13 -0.76 -0.03 0.00 0.01 0.00 0.00 42.46 41.55 3i4n s ILE 75 CO 0.04 0.29 -0.23 -1.58 0.00 0.00 0.00 174.94 173.46 3i4n s GLN 76 N 1.33 1.52 0.24 2.79 0.74 0.47 0.02 119.66 126.77 3i4n s GLN 76 Ca -0.04 -1.04 0.00 0.00 0.05 0.00 0.00 55.36 54.33 3i4n s GLN 76 Cb -0.14 -1.69 -0.03 0.00 1.10 0.00 0.00 33.01 32.25 3i4n s GLN 76 CO -0.03 0.43 0.20 0.95 -0.55 0.00 0.00 175.29 176.29 3i4n s THR 77 N -0.84 0.00 -0.20 -0.34 -4.23 -1.02 0.45 115.64 109.47 3i4n s THR 77 Ca 0.09 -1.95 -0.29 0.00 -1.18 0.00 0.00 61.69 58.36 3i4n s THR 77 Cb -0.09 -2.49 -0.04 0.00 1.34 0.00 0.00 72.50 71.22 3i4n s THR 77 CO 0.02 0.00 1.75 -0.89 -0.54 0.00 0.00 174.62 174.96 3i4n s THR 78 N -3.95 3.51 0.46 3.99 2.01 -0.83 -4.76 115.64 116.06 3i4n s THR 78 Ca 0.38 0.57 -0.10 0.00 0.31 0.00 0.00 61.69 62.85 3i4n s THR 78 Cb 0.05 -3.53 -0.09 0.00 0.01 0.00 0.00 72.50 68.95 3i4n s THR 78 CO 0.16 -0.23 -0.30 1.21 -0.69 0.00 0.00 174.62 174.77 3i4n n GLU 79 N 7.84 0.00 0.00 4.92 2.13 -1.26 -1.52 120.64 132.76 3i4n n GLU 79 Ca 0.21 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.03 3i4n n GLU 79 Cb 0.45 -0.58 0.00 0.00 0.27 0.00 0.00 31.44 31.58 3i4n n GLU 79 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 3i4n n GLY 80 N 1.79 1.46 3.61 8.31 0.00 -1.26 -4.92 105.19 114.19 3i4n n GLY 80 Ca 0.01 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 3i4n n GLY 80 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3i4n s TYR 81 N -0.18 3.21 -0.28 1.61 6.04 -0.57 -5.03 117.35 122.15 3i4n s TYR 81 Ca 0.00 0.72 -0.25 0.00 0.04 0.00 0.00 57.07 57.58 3i4n s TYR 81 Cb 0.00 -3.09 0.00 0.00 -1.04 0.00 0.00 41.96 37.83 3i4n s TYR 81 CO 0.00 -0.51 0.86 0.34 -1.54 0.00 0.00 175.55 174.71 3i4n s ASP 82 N 1.61 6.79 0.48 4.32 -1.08 -1.26 -4.52 116.67 123.01 3i4n s ASP 82 Ca 0.29 0.89 0.34 0.00 -0.52 0.00 0.00 52.55 53.54 3i4n s ASP 82 Cb -0.15 -2.45 1.47 0.00 -1.46 0.00 0.00 42.92 40.34 3i4n s ASP 82 CO 0.12 -0.63 1.67 1.55 0.52 0.00 0.00 175.17 178.39 3i4n h PRO 83 N 7.94 0.09 -0.44 4.34 0.13 -1.92 0.33 132.00 142.47 3i4n h PRO 83 Ca -0.23 -0.01 0.09 0.00 -0.87 0.00 0.00 66.00 64.98 3i4n h PRO 83 Cb 1.09 -0.02 -0.09 0.00 0.13 0.00 0.00 31.00 32.10 3i4n h PRO 83 CO 0.91 0.06 -0.26 0.87 -0.23 0.00 0.00 178.00 179.35 3i4n h LYS 84 N 0.10 -0.17 -0.54 0.86 1.57 -1.94 0.66 116.57 117.10 3i4n h LYS 84 Ca 0.76 0.01 0.08 0.00 -1.87 0.00 0.00 60.65 59.63 3i4n h LYS 84 Cb 2.61 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 34.90 3i4n h LYS 84 CO -0.24 -0.11 0.20 -0.44 -0.57 0.00 0.00 179.45 178.29 3i4n h ASP 85 N -0.17 0.21 -0.67 0.86 3.32 -0.73 0.12 116.42 119.35 3i4n h ASP 85 Ca 0.20 0.06 0.11 0.00 0.02 0.00 0.00 57.03 57.43 3i4n h ASP 85 Cb 0.49 0.04 -0.08 0.00 0.22 0.00 0.00 39.33 40.01 3i4n h ASP 85 CO -0.54 0.14 0.26 0.00 -1.72 0.00 0.00 179.24 177.38 3i4n h ALA 86 N 1.36 0.90 -0.41 3.45 0.00 -0.93 0.52 119.26 124.14 3i4n h ALA 86 Ca 0.26 0.09 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 3i4n h ALA 86 Cb 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i4n h ALA 86 CO -0.26 -0.18 0.16 1.25 0.00 0.00 0.00 179.25 180.22 3i4n h LEU 87 N 0.44 0.57 0.05 0.00 5.85 -0.02 0.25 115.31 122.44 3i4n h LEU 87 Ca 0.35 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.91 3i4n h LEU 87 Cb 0.46 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.31 3i4n h LEU 87 CO -0.34 0.58 -0.37 0.11 -0.34 0.00 0.00 178.44 178.08 3i4n h LYS 88 N 0.52 -0.48 0.33 1.25 1.57 0.20 -1.94 116.57 118.01 3i4n h LYS 88 Ca 0.14 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3i4n h LYS 88 Cb 0.19 0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 3i4n h LYS 88 CO -0.01 -0.32 -0.29 -0.91 -0.57 0.00 0.00 179.45 177.34 3i4n h ASN 89 N -0.50 -0.79 -1.77 0.86 2.35 -0.00 -2.38 115.58 113.35 3i4n h ASN 89 Ca 0.00 0.06 0.54 0.00 -0.55 0.00 0.00 56.30 56.35 3i4n h ASN 89 Cb 0.52 0.25 -0.10 0.00 0.05 0.00 0.00 38.32 39.04 3i4n h ASN 89 CO -0.22 -0.40 1.23 0.00 -1.65 0.00 0.00 177.43 176.39 3i4n h ALA 90 N -1.31 3.50 0.31 -0.83 0.00 -0.50 0.35 119.26 120.78 3i4n h ALA 90 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i4n h ALA 90 Cb 0.52 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.50 3i4n h ALA 90 CO -0.01 -2.12 -0.15 0.00 0.00 0.00 0.00 179.25 176.97 3i4n h ASN 92 N -0.58 0.45 -0.63 0.00 2.35 -0.84 0.97 115.58 117.30 3i4n h ASN 92 Ca -0.04 0.12 0.13 0.00 -0.55 0.00 0.00 56.30 55.96 3i4n h ASN 92 Cb 0.32 0.06 -0.11 0.00 0.05 0.00 0.00 38.32 38.65 3i4n h ASN 92 CO 0.07 -0.00 0.01 -1.28 -1.65 0.00 0.00 177.43 174.57 3i4n h SER 93 N 0.35 -0.27 -0.50 5.81 0.87 -1.10 0.69 113.55 119.40 3i4n h SER 93 Ca 0.67 0.15 -0.12 0.00 -1.23 0.00 0.00 61.79 61.26 3i4n h SER 93 Cb 1.71 0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 63.93 3i4n h SER 93 CO -0.40 -0.11 -0.17 0.40 -0.53 0.00 0.00 176.83 176.01 3i4n h ILE 94 N 0.12 1.27 0.75 2.23 2.04 0.11 0.55 117.51 124.58 3i4n h ILE 94 Ca 0.33 -1.34 -0.04 0.00 1.00 0.00 0.00 64.86 64.82 3i4n h ILE 94 Cb 0.53 1.06 0.01 0.00 -0.74 0.00 0.00 36.82 37.68 3i4n h ILE 94 CO -0.53 0.47 -0.36 0.40 0.00 0.00 0.00 178.15 178.12 3i4n h ILE 95 N 0.87 0.20 -0.96 -0.67 2.04 -0.31 0.21 117.51 118.90 3i4n h ILE 95 Ca 0.12 -0.11 0.16 0.00 1.00 0.00 0.00 64.86 66.03 3i4n h ILE 95 Cb 0.75 0.23 -0.10 0.00 -0.74 0.00 0.00 36.82 36.96 3i4n h ILE 95 CO 0.06 0.01 0.56 0.78 0.00 0.00 0.00 178.15 179.56 3i4n h ASN 96 N -1.10 0.74 0.54 1.72 2.35 0.34 1.08 115.58 121.25 3i4n h ASN 96 Ca -0.10 0.08 -0.03 0.00 -0.55 0.00 0.00 56.30 55.70 3i4n h ASN 96 Cb 0.79 -0.05 0.01 0.00 0.05 0.00 0.00 38.32 39.12 3i4n h ASN 96 CO 0.17 0.31 -0.26 0.11 -1.65 0.00 0.00 177.43 176.11 3i4n h LYS 97 N 0.78 -0.70 0.24 0.81 1.57 -0.64 -2.40 116.57 116.23 3i4n h LYS 97 Ca 0.53 0.05 0.01 0.00 -1.87 0.00 0.00 60.65 59.36 3i4n h LYS 97 Cb 0.74 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.17 3i4n h LYS 97 CO -0.35 -0.40 -0.43 -0.07 -0.57 0.00 0.00 179.45 177.63 3i4n h LEU 98 N -0.95 -1.25 -0.46 2.94 3.38 0.28 0.32 115.31 119.57 3i4n h LEU 98 Ca -0.07 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.06 3i4n h LEU 98 Cb 0.63 0.45 -0.06 0.00 0.09 0.00 0.00 40.66 41.77 3i4n h LEU 98 CO 0.12 -0.53 -0.27 0.61 0.09 0.00 0.00 178.44 178.46 3i4n n GLY 99 N -1.49 -2.73 0.21 0.83 0.00 0.36 0.14 105.19 102.52 3i4n n GLY 99 Ca -0.09 0.84 -0.02 0.00 0.00 0.00 0.00 46.02 46.75 3i4n n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i4n h ALA 100 N -0.26 0.60 -0.95 4.61 0.00 -1.21 -0.45 119.26 121.60 3i4n h ALA 100 Ca 0.07 0.11 0.14 0.00 0.00 0.00 0.00 54.91 55.24 3i4n h ALA 100 Cb 0.19 0.14 -0.08 0.00 0.00 0.00 0.00 17.79 18.04 3i4n h ALA 100 CO -0.43 -0.30 0.60 1.25 0.00 0.00 0.00 179.25 180.37 3i4n h LEU 101 N 0.25 0.77 0.29 0.00 6.46 0.47 0.70 115.31 124.25 3i4n h LEU 101 Ca 0.27 0.05 -0.01 0.00 -0.12 0.00 0.00 57.88 58.06 3i4n h LEU 101 Cb 0.36 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.20 3i4n h LEU 101 CO -0.34 0.38 -0.14 0.50 -0.62 0.00 0.00 178.44 178.22 3i4n h LYS 102 N 0.81 -0.37 -0.72 1.25 3.64 0.29 -0.91 116.57 120.56 3i4n h LYS 102 Ca 0.49 0.03 0.16 0.00 -1.27 0.00 0.00 60.65 60.05 3i4n h LYS 102 Cb 0.67 0.09 -0.11 0.00 -0.41 0.00 0.00 32.23 32.46 3i4n h LYS 102 CO -0.25 -0.13 0.11 1.15 -2.27 0.00 0.00 179.45 178.06 3i4n h THR 103 N -0.58 0.47 -0.21 1.00 2.02 -0.37 -0.34 112.91 114.90 3i4n h THR 103 Ca -0.04 -0.07 -0.12 0.00 0.77 0.00 0.00 66.41 66.95 3i4n h THR 103 Cb 0.42 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.07 3i4n h THR 103 CO 0.07 0.04 -0.39 0.78 0.37 0.00 0.00 175.52 176.39 3i4n h ASN 104 N 0.20 0.50 0.11 4.18 4.21 -0.78 0.23 115.58 124.24 3i4n h ASN 104 Ca 0.40 -0.21 -0.12 0.00 1.21 0.00 0.00 56.30 57.57 3i4n h ASN 104 Cb 0.68 -0.14 -0.01 0.00 -1.12 0.00 0.00 38.32 37.73 3i4n h ASN 104 CO -0.55 0.84 -0.43 0.15 -1.29 0.00 0.00 177.43 176.15 3i4n h PHE 105 N 0.40 0.47 -0.05 1.19 3.57 0.01 -2.91 116.94 119.62 3i4n h PHE 105 Ca 0.04 -0.14 -0.17 0.00 3.53 0.00 0.00 57.97 61.23 3i4n h PHE 105 Cb 0.86 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 39.48 3i4n h PHE 105 CO 0.03 0.76 -0.71 0.93 -2.23 0.00 0.00 178.31 177.09 3i4n h GLU 106 N 0.33 0.26 0.35 1.11 5.08 -0.81 -2.31 114.58 118.59 3i4n h GLU 106 Ca 0.03 -0.21 -0.00 0.00 -1.00 0.00 0.00 59.36 58.17 3i4n h GLU 106 Cb 0.89 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.15 3i4n h GLU 106 CO 0.07 0.87 -0.50 1.15 -1.00 0.00 0.00 179.01 179.60 3i4n h THR 107 N 0.18 0.03 -0.61 1.13 2.02 -0.79 -2.35 112.91 112.51 3i4n h THR 107 Ca -0.02 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.25 3i4n h THR 107 Cb 1.27 0.03 -0.07 0.00 -1.74 0.00 0.00 68.15 67.63 3i4n h THR 107 CO 0.11 0.00 0.22 -0.33 0.37 0.00 0.00 175.52 175.89 3i4n h GLU 108 N -0.90 0.38 -0.07 6.66 4.39 -1.50 -3.14 114.58 120.41 3i4n h GLU 108 Ca -0.04 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.65 3i4n h GLU 108 Cb 0.82 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.37 3i4n h GLU 108 CO -0.15 0.25 -0.00 2.35 -1.16 0.00 0.00 179.01 180.30 3i4n h TRP 109 N 0.39 -0.01 -0.25 4.33 2.91 -1.08 -2.49 115.95 119.75 3i4n h TRP 109 Ca 0.31 0.01 0.05 0.00 1.13 0.00 0.00 58.89 60.39 3i4n h TRP 109 Cb 0.40 0.01 -0.01 0.00 -0.51 0.00 0.00 29.16 29.05 3i4n h TRP 109 CO -0.18 -0.01 0.17 -0.91 -1.03 0.00 0.00 178.44 176.49 3i4n h ASN 110 N 0.02 0.10 -1.42 2.65 2.35 -1.39 -2.68 115.58 115.22 3i4n h ASN 110 Ca 0.03 -0.00 -0.69 0.00 -0.55 0.00 0.00 56.30 55.09 3i4n h ASN 110 Cb 0.04 -0.02 -0.18 0.00 0.05 0.00 0.00 38.32 38.21 3i4n h ASN 110 CO -0.05 0.07 1.50 0.18 -1.65 0.00 0.00 177.43 177.47 3i4n n LEU 111 N -4.49 7.46 -4.08 1.61 4.77 -0.94 -4.92 117.00 116.43 3i4n n LEU 111 Ca 0.02 -4.77 -0.13 0.00 -0.03 0.00 0.00 56.01 51.11 3i4n n LEU 111 Cb 0.24 -1.26 -0.05 0.00 -2.33 0.00 0.00 43.42 40.02 3i4n n LEU 111 CO 0.35 1.95 0.10 -1.10 -1.33 0.00 0.00 177.39 177.36 3i4n s GLN 112 N -2.19 1.71 -0.21 3.23 -1.52 -1.01 -4.95 119.66 114.73 3i4n s GLN 112 Ca 0.52 -1.59 -0.29 0.00 -1.95 0.00 0.00 55.36 52.06 3i4n s GLN 112 Cb 0.26 0.43 0.14 0.00 -0.22 0.00 0.00 33.01 33.62 3i4n s GLN 112 CO -0.17 -0.70 1.07 0.99 -0.25 0.00 0.00 175.29 176.24 3i4n s THR 113 N -3.48 0.00 -0.25 -0.19 2.01 -1.26 -5.10 115.64 107.37 3i4n s THR 113 Ca 0.29 0.00 -0.34 0.00 0.31 0.00 0.00 61.69 61.95 3i4n s THR 113 Cb 0.00 -1.00 0.16 0.00 0.01 0.00 0.00 72.50 71.68 3i4n s THR 113 CO 0.16 0.00 1.30 -0.22 -0.69 0.00 0.00 174.62 175.17 3i4n s LEU 114 N -0.79 -0.08 -0.41 4.42 2.96 -1.26 -5.13 118.68 118.39 3i4n s LEU 114 Ca 0.01 0.04 0.03 0.00 -0.22 0.00 0.00 54.13 53.99 3i4n s LEU 114 Cb -0.02 1.20 0.11 0.00 0.50 0.00 0.00 46.19 47.98 3i4n s LEU 114 CO -0.02 -0.10 0.14 0.00 -1.32 0.00 0.00 176.35 175.05 3i4n s ALA 115 N -1.73 3.07 0.00 5.97 0.00 -1.26 -5.34 121.76 122.46 3i4n s ALA 115 Ca 0.09 -2.78 0.00 0.00 0.00 0.00 0.00 51.96 49.27 3i4n s ALA 115 Cb -0.01 -2.10 0.00 0.00 0.00 0.00 0.00 23.12 21.01 3i4n s ALA 115 CO -0.05 -1.81 0.00 0.00 0.00 0.00 0.00 175.76 173.90