#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4n n SER 2 N 0.00 0.00 -3.72 6.12 3.41 -1.26 -4.93 113.62 113.24 3i4n n SER 2 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 3i4n n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 3i4n n SER 2 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3i4n s ASN 3 N 0.00 -0.14 0.87 4.04 0.01 -1.26 -4.85 114.94 113.62 3i4n s ASN 3 Ca 0.00 -0.29 -0.12 0.00 -0.71 0.00 0.00 52.86 51.74 3i4n s ASN 3 Cb 0.00 0.40 0.11 0.00 0.41 0.00 0.00 41.25 42.18 3i4n s ASN 3 CO 0.00 -0.73 1.11 -0.89 -1.51 0.00 0.00 177.10 175.08 3i4n s THR 4 N -3.22 2.53 0.00 1.60 2.01 -1.26 -4.40 115.64 112.91 3i4n s THR 4 Ca -0.00 0.17 0.00 0.00 0.31 0.00 0.00 61.69 62.17 3i4n s THR 4 Cb 0.01 -2.86 0.00 0.00 0.01 0.00 0.00 72.50 69.66 3i4n s THR 4 CO -0.08 -0.23 0.33 0.18 -0.69 0.00 0.00 174.62 174.14 3i4n n LEU 5 N -3.69 0.00 0.00 4.42 4.77 0.85 -4.93 117.00 118.43 3i4n n LEU 5 Ca 0.07 -0.01 0.00 0.00 -0.03 0.00 0.00 56.01 56.04 3i4n n LEU 5 Cb 0.57 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3i4n n LEU 5 CO 0.57 0.01 0.00 0.33 -1.33 0.00 0.00 177.39 176.96 3i4n n PHE 6 N 0.00 0.00 -3.68 -1.77 7.35 -0.93 -4.19 117.46 114.24 3i4n n PHE 6 Ca 0.00 0.00 -0.09 0.00 -0.76 0.00 0.00 57.45 56.60 3i4n n PHE 6 Cb 0.42 0.00 -0.10 0.00 0.35 0.00 0.00 39.48 40.15 3i4n n PHE 6 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 3i4n s ASP 7 N 0.00 -0.52 -0.25 -2.13 -1.08 -1.26 -1.67 116.67 109.77 3i4n s ASP 7 Ca 0.00 1.00 -0.28 0.00 -0.52 0.00 0.00 52.55 52.75 3i4n s ASP 7 Cb 0.00 1.00 0.16 0.00 -1.46 0.00 0.00 42.92 42.63 3i4n s ASP 7 CO 0.00 -0.21 1.22 -0.62 0.52 0.00 0.00 175.17 176.08 3i4n s ASP 8 N 1.74 -0.20 -0.13 -0.34 2.15 -0.92 -5.02 116.67 113.95 3i4n s ASP 8 Ca -0.08 0.26 -0.05 0.00 0.43 0.00 0.00 52.55 53.12 3i4n s ASP 8 Cb -0.09 0.23 -0.04 0.00 -0.30 0.00 0.00 42.92 42.72 3i4n s ASP 8 CO -0.14 -0.15 0.06 -0.63 -0.17 0.00 0.00 175.17 174.14 3i4n s ILE 9 N -0.74 4.77 0.38 4.11 1.01 -1.26 -0.91 121.20 128.55 3i4n s ILE 9 Ca 0.04 -0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.64 3i4n s ILE 9 Cb -0.02 -3.07 0.01 0.00 0.01 0.00 0.00 42.46 39.39 3i4n s ILE 9 CO -0.06 0.56 0.06 0.49 0.00 0.00 0.00 174.94 176.00 3i4n n PHE 10 N 2.57 0.50 -3.77 3.97 3.01 -1.00 -2.89 117.46 119.85 3i4n n PHE 10 Ca -0.18 -1.80 -0.17 0.00 1.01 0.00 0.00 57.45 56.30 3i4n n PHE 10 Cb 0.53 -0.26 -0.17 0.00 -0.01 0.00 0.00 39.48 39.57 3i4n n PHE 10 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 3i4n s GLN 11 N -3.41 0.04 -0.46 -1.08 0.74 -1.10 -2.14 119.66 112.26 3i4n s GLN 11 Ca 0.05 0.23 -0.29 0.00 0.05 0.00 0.00 55.36 55.39 3i4n s GLN 11 Cb -0.00 -0.41 -0.09 0.00 1.10 0.00 0.00 33.01 33.60 3i4n s GLN 11 CO 0.03 -0.22 2.36 0.28 -0.55 0.00 0.00 175.29 177.18 3i4n n VAL 12 N 4.59 0.09 -0.20 1.34 0.31 -1.11 -2.71 118.33 120.64 3i4n n VAL 12 Ca -0.19 -0.50 -0.07 0.00 -0.01 0.00 0.00 64.34 63.58 3i4n n VAL 12 Cb 0.50 -2.19 0.03 0.00 -0.91 0.00 0.00 33.84 31.27 3i4n n VAL 12 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 3i4n h SER 13 N 15.93 0.71 0.00 4.52 4.64 -0.30 0.66 113.55 139.72 3i4n h SER 13 Ca -0.26 -0.11 0.00 0.00 -0.47 0.00 0.00 61.79 60.95 3i4n h SER 13 Cb 1.28 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 3i4n h SER 13 CO 1.11 0.62 0.00 1.21 -0.87 0.00 0.00 176.83 178.89 3i4n n GLU 14 N -4.59 0.00 -4.23 4.77 2.13 -1.22 -4.60 120.64 112.90 3i4n n GLU 14 Ca 0.03 0.00 -0.32 0.00 0.66 0.00 0.00 57.16 57.53 3i4n n GLU 14 Cb 0.10 0.00 -0.08 0.00 0.27 0.00 0.00 31.44 31.72 3i4n n GLU 14 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 3i4n s VAL 15 N -2.00 4.17 -0.04 6.31 1.01 -1.26 -3.27 120.40 125.31 3i4n s VAL 15 Ca 0.00 -0.68 0.01 0.00 0.00 0.00 0.00 61.98 61.31 3i4n s VAL 15 Cb 0.00 -2.89 0.02 0.00 0.00 0.00 0.00 36.38 33.50 3i4n s VAL 15 CO 0.00 0.31 -0.06 -0.62 0.00 0.00 0.00 175.10 174.73 3i4n s ASP 16 N -1.76 1.06 -0.59 3.32 2.15 -0.59 -5.01 116.67 115.24 3i4n s ASP 16 Ca 0.21 -0.16 0.01 0.00 0.43 0.00 0.00 52.55 53.04 3i4n s ASP 16 Cb -0.12 -0.49 0.43 0.00 -0.30 0.00 0.00 42.92 42.45 3i4n s ASP 16 CO 0.13 -0.03 1.77 -0.81 -0.17 0.00 0.00 175.17 176.06 3i4n n PRO 17 N 3.90 2.97 -1.51 4.34 -0.04 -1.26 -1.44 135.00 141.96 3i4n n PRO 17 Ca -0.24 -3.62 -0.24 0.00 -0.04 0.00 0.00 63.50 59.35 3i4n n PRO 17 Cb 0.51 -2.28 -0.20 0.00 -0.04 0.00 0.00 33.50 31.49 3i4n n PRO 17 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i4n n GLY 18 N -0.78 -0.45 2.22 0.55 0.00 -1.26 -1.69 105.19 103.78 3i4n n GLY 18 Ca 0.55 0.19 -0.15 0.00 0.00 0.00 0.00 46.02 46.61 3i4n n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i4n n ARG 19 N 6.33 -1.51 -3.81 1.61 5.12 -1.26 -4.93 116.66 118.21 3i4n n ARG 19 Ca 0.65 0.85 -0.34 0.00 -1.93 0.00 0.00 57.85 57.07 3i4n n ARG 19 Cb 0.17 -5.21 -0.11 0.00 -1.16 0.00 0.00 32.46 26.14 3i4n n ARG 19 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3i4n s TYR 20 N -2.39 3.39 0.59 -1.55 4.12 -0.68 -4.98 117.35 115.85 3i4n s TYR 20 Ca 0.00 -2.83 0.33 0.00 0.02 0.00 0.00 57.07 54.59 3i4n s TYR 20 Cb 0.00 -3.08 1.14 0.00 -1.52 0.00 0.00 41.96 38.50 3i4n s TYR 20 CO 0.00 -0.84 1.39 -0.91 0.02 0.00 0.00 175.55 175.21 3i4n h ASN 21 N 7.04 0.00 0.00 2.29 2.35 -1.91 -2.85 115.58 122.49 3i4n h ASN 21 Ca -0.05 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.70 3i4n h ASN 21 Cb 0.95 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.32 3i4n h ASN 21 CO 0.69 0.00 -0.32 0.29 -1.65 0.00 0.00 177.43 176.44 3i4n n LYS 22 N -3.44 0.00 -3.76 0.81 5.02 -1.26 -5.03 118.16 110.50 3i4n n LYS 22 Ca 0.28 -0.81 -0.13 0.00 -2.02 0.00 0.00 58.31 55.63 3i4n n LYS 22 Cb 1.63 -0.50 -0.09 0.00 -0.02 0.00 0.00 35.03 36.06 3i4n n LYS 22 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i4n s VAL 23 N 0.00 0.05 -0.01 -0.18 1.01 -1.08 -3.00 120.40 117.19 3i4n s VAL 23 Ca 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.57 3i4n s VAL 23 Cb 0.00 -0.59 0.01 0.00 0.00 0.00 0.00 36.38 35.81 3i4n s VAL 23 CO 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 175.10 174.87 3i4n s ARG 25 N 0.43 4.27 0.40 0.00 3.52 -0.52 0.30 118.95 127.35 3i4n s ARG 25 Ca -0.04 0.44 0.05 0.00 -0.13 0.00 0.00 55.73 56.05 3i4n s ARG 25 Cb -0.06 -3.39 -0.02 0.00 -1.56 0.00 0.00 34.95 29.91 3i4n s ARG 25 CO -0.01 0.26 0.17 0.42 -0.81 0.00 0.00 175.30 175.33 3i4n s ILE 26 N 0.28 0.43 -0.01 4.11 1.01 -0.18 -1.55 121.20 125.28 3i4n s ILE 26 Ca 0.25 -2.00 -0.28 0.00 0.00 0.00 0.00 60.65 58.62 3i4n s ILE 26 Cb -0.15 -2.34 0.06 0.00 0.01 0.00 0.00 42.46 40.04 3i4n s ILE 26 CO 0.11 0.00 0.63 -1.61 0.00 0.00 0.00 174.94 174.07 3i4n s GLU 27 N -3.63 1.05 0.32 2.79 2.02 -1.20 -1.62 118.70 118.42 3i4n s GLU 27 Ca 0.26 0.10 -0.04 0.00 0.02 0.00 0.00 54.97 55.31 3i4n s GLU 27 Cb 0.02 0.49 -0.00 0.00 0.10 0.00 0.00 34.13 34.74 3i4n s GLU 27 CO 0.17 -0.35 0.45 0.00 0.02 0.00 0.00 175.26 175.56 3i4n s ALA 28 N -1.61 0.62 0.48 5.21 0.00 -0.88 0.50 121.76 126.07 3i4n s ALA 28 Ca -0.09 -1.42 0.06 0.00 0.00 0.00 0.00 51.96 50.51 3i4n s ALA 28 Cb -0.01 1.16 -0.01 0.00 0.00 0.00 0.00 23.12 24.27 3i4n s ALA 28 CO 0.06 -0.79 0.30 0.00 0.00 0.00 0.00 175.76 175.33 3i4n s ALA 29 N -3.29 4.07 -0.08 0.00 0.00 -1.10 -1.74 121.76 119.62 3i4n s ALA 29 Ca 0.30 -1.59 -0.02 0.00 0.00 0.00 0.00 51.96 50.65 3i4n s ALA 29 Cb 0.00 -0.62 -0.03 0.00 0.00 0.00 0.00 23.12 22.47 3i4n s ALA 29 CO 0.18 -0.29 0.00 0.45 0.00 0.00 0.00 175.76 176.10 3i4n s SER 30 N -4.10 5.24 -0.20 0.00 0.15 -1.10 -2.72 113.70 110.97 3i4n s SER 30 Ca 0.37 0.14 0.00 0.00 0.70 0.00 0.00 55.95 57.16 3i4n s SER 30 Cb -0.00 -1.47 0.21 0.00 -1.71 0.00 0.00 66.02 63.05 3i4n s SER 30 CO 0.22 0.37 1.64 0.41 1.20 0.00 0.00 173.24 177.08 3i4n n THR 31 N 2.09 2.16 0.00 6.45 -1.04 -1.14 -4.61 114.28 118.20 3i4n n THR 31 Ca -0.18 -1.01 0.00 0.00 -2.04 0.00 0.00 64.05 60.82 3i4n n THR 31 Cb 0.54 -1.06 0.00 0.00 -1.82 0.00 0.00 70.33 67.99 3i4n n THR 31 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i4n n THR 32 N 0.21 0.00 -1.61 12.58 -1.04 -1.26 -5.00 114.28 118.15 3i4n n THR 32 Ca 0.23 0.00 -0.50 0.00 -2.04 0.00 0.00 64.05 61.73 3i4n n THR 32 Cb 0.77 0.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.22 3i4n n THR 32 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 3i4n n GLN 33 N 0.00 1.42 -0.34 -2.82 7.27 -1.26 -4.80 117.38 116.85 3i4n n GLN 33 Ca 0.00 0.51 -0.00 0.00 0.07 0.00 0.00 57.00 57.58 3i4n n GLN 33 Cb 0.00 -2.19 0.12 0.00 2.41 0.00 0.00 30.24 30.58 3i4n n GLN 33 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3i4n n ASP 34 N 2.79 2.80 -0.00 1.69 8.00 -1.26 -2.79 116.55 127.78 3i4n n ASP 34 Ca 0.18 -2.38 0.02 0.00 0.71 0.00 0.00 54.79 53.32 3i4n n ASP 34 Cb 0.22 -0.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.71 3i4n n ASP 34 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4n n GLN 35 N 0.14 5.02 -2.64 -1.24 6.02 -1.26 -4.90 117.38 118.53 3i4n n GLN 35 Ca 0.12 -0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.68 3i4n n GLN 35 Cb 0.66 -0.76 -0.01 0.00 1.02 0.00 0.00 30.24 31.16 3i4n n GLN 35 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4n s LYS 37 N 3.99 3.24 -0.04 0.00 1.02 -1.22 -2.70 119.74 124.02 3i4n s LYS 37 Ca 0.50 0.10 -0.08 0.00 0.02 0.00 0.00 55.97 56.51 3i4n s LYS 37 Cb 0.02 -2.32 0.01 0.00 -0.52 0.00 0.00 37.83 35.02 3i4n s LYS 37 CO 0.02 -0.45 0.19 -1.17 -0.92 0.00 0.00 175.35 173.03 3i4n s LEU 38 N -4.87 1.29 -0.02 3.17 2.96 -0.71 -2.80 118.68 117.71 3i4n s LEU 38 Ca 0.51 0.17 0.03 0.00 -0.22 0.00 0.00 54.13 54.62 3i4n s LEU 38 Cb -0.10 0.76 -0.00 0.00 0.50 0.00 0.00 46.19 47.34 3i4n s LEU 38 CO 0.45 -0.21 -0.09 -0.89 -1.32 0.00 0.00 176.35 174.29 3i4n s THR 39 N -0.54 0.77 -0.30 3.68 2.01 0.60 -2.08 115.64 119.78 3i4n s THR 39 Ca -0.06 -0.38 -0.15 0.00 0.31 0.00 0.00 61.69 61.40 3i4n s THR 39 Cb -0.04 -0.67 0.16 0.00 0.01 0.00 0.00 72.50 71.96 3i4n s THR 39 CO 0.01 0.23 0.99 -0.22 -0.69 0.00 0.00 174.62 174.94 3i4n s LEU 40 N -0.00 -0.55 0.00 4.42 2.96 -0.64 -0.94 118.68 123.92 3i4n s LEU 40 Ca 0.00 0.79 0.00 0.00 -0.22 0.00 0.00 54.13 54.71 3i4n s LEU 40 Cb -0.06 1.68 0.00 0.00 0.50 0.00 0.00 46.19 48.31 3i4n s LEU 40 CO 0.00 -0.12 0.00 0.47 -1.32 0.00 0.00 176.35 175.38 3i4n n ASP 41 N 4.47 -0.96 0.00 3.68 8.00 -1.15 -1.02 116.55 129.57 3i4n n ASP 41 Ca -0.13 -0.18 0.00 0.00 0.71 0.00 0.00 54.79 55.19 3i4n n ASP 41 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.64 3i4n n ASP 41 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 3i4n n ILE 42 N -2.05 0.00 -1.92 0.53 5.41 0.15 -4.62 119.36 116.85 3i4n n ILE 42 Ca 0.00 0.00 -0.31 0.00 1.00 0.00 0.00 62.75 63.44 3i4n n ILE 42 Cb 0.00 0.00 -0.04 0.00 -0.71 0.00 0.00 39.64 38.89 3i4n n ILE 42 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3i4n s ASN 43 N 0.00 4.94 -0.02 4.38 3.84 -1.26 -0.31 114.94 126.50 3i4n s ASN 43 Ca 0.00 0.07 0.01 0.00 0.21 0.00 0.00 52.86 53.15 3i4n s ASN 43 Cb 0.00 -2.54 0.05 0.00 -0.55 0.00 0.00 41.25 38.21 3i4n s ASN 43 CO 0.00 -2.76 0.77 0.52 -2.79 0.00 0.00 177.10 172.84 3i4n n VAL 44 N 7.74 0.55 0.20 -5.21 0.31 -1.16 -2.32 118.33 118.44 3i4n n VAL 44 Ca 0.33 -0.10 0.06 0.00 -0.01 0.00 0.00 64.34 64.61 3i4n n VAL 44 Cb 0.50 -0.67 -0.08 0.00 -0.91 0.00 0.00 33.84 32.67 3i4n n VAL 44 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i4n n GLU 45 N 0.18 1.52 0.00 5.55 2.13 -1.25 -4.05 120.64 124.72 3i4n n GLU 45 Ca 0.03 -0.06 0.03 0.00 0.66 0.00 0.00 57.16 57.81 3i4n n GLU 45 Cb 0.41 -1.17 0.02 0.00 0.27 0.00 0.00 31.44 30.97 3i4n n GLU 45 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i4n n LEU 46 N -1.65 1.35 -2.70 4.31 4.77 -0.98 -4.88 117.00 117.23 3i4n n LEU 46 Ca -0.00 -0.95 -0.02 0.00 -0.03 0.00 0.00 56.01 55.00 3i4n n LEU 46 Cb 0.25 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.37 3i4n n LEU 46 CO 0.23 0.28 0.44 0.12 -1.33 0.00 0.00 177.39 177.14 3i4n s PHE 47 N -0.58 -0.48 1.00 -1.77 5.36 -1.15 -4.98 117.98 115.38 3i4n s PHE 47 Ca 0.06 -0.13 -0.15 0.00 -0.96 0.00 0.00 56.93 55.76 3i4n s PHE 47 Cb 0.05 0.09 0.03 0.00 -0.34 0.00 0.00 43.02 42.85 3i4n s PHE 47 CO 0.09 -0.37 0.12 -2.30 -1.46 0.00 0.00 175.22 171.30 3i4n n PRO 48 N 2.82 -0.57 -3.70 10.12 -0.02 -1.26 -4.48 135.00 137.91 3i4n n PRO 48 Ca 0.11 -0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.35 3i4n n PRO 48 Cb 0.64 -1.70 -0.11 0.00 -0.02 0.00 0.00 33.50 32.30 3i4n n PRO 48 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i4n s VAL 49 N -2.30 -0.05 0.27 -1.45 1.01 -1.26 -5.04 120.40 111.58 3i4n s VAL 49 Ca 0.54 0.10 0.09 0.00 0.00 0.00 0.00 61.98 62.71 3i4n s VAL 49 Cb -0.17 -0.58 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 3i4n s VAL 49 CO 0.69 0.04 0.08 0.00 0.00 0.00 0.00 175.10 175.91 3i4n s ALA 50 N 1.43 3.34 0.16 5.51 0.00 -1.26 -4.92 121.76 126.02 3i4n s ALA 50 Ca -0.09 -1.62 -0.33 0.00 0.00 0.00 0.00 51.96 49.92 3i4n s ALA 50 Cb -0.09 -0.91 -0.13 0.00 0.00 0.00 0.00 23.12 21.99 3i4n s ALA 50 CO -0.12 0.22 1.66 0.00 0.00 0.00 0.00 175.76 177.52 3i4n n ALA 51 N -1.02 1.84 -2.40 0.00 0.00 -1.26 -4.34 120.51 113.34 3i4n n ALA 51 Ca -0.06 0.42 -0.03 0.00 0.00 0.00 0.00 53.44 53.76 3i4n n ALA 51 Cb 0.59 -2.43 -0.03 0.00 0.00 0.00 0.00 19.45 17.59 3i4n n ALA 51 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3i4n n GLN 52 N 3.90 -4.53 -3.67 0.00 6.02 0.23 -4.93 117.38 114.40 3i4n n GLN 52 Ca 0.17 3.39 -0.14 0.00 -0.01 0.00 0.00 57.00 60.41 3i4n n GLN 52 Cb 0.31 -4.63 -0.08 0.00 1.02 0.00 0.00 30.24 26.86 3i4n n GLN 52 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3i4n s ASP 53 N -0.59 -0.60 -0.30 1.08 1.01 -1.26 -4.72 116.67 111.29 3i4n s ASP 53 Ca -0.15 1.11 -0.24 0.00 0.71 0.00 0.00 52.55 53.97 3i4n s ASP 53 Cb 0.01 1.12 0.00 0.00 1.01 0.00 0.00 42.92 45.06 3i4n s ASP 53 CO 0.42 -0.24 0.83 -0.94 0.21 0.00 0.00 175.17 175.44 3i4n s SER 54 N 0.14 6.71 -0.09 0.27 1.04 -1.24 -2.75 113.70 117.79 3i4n s SER 54 Ca -0.01 0.75 -0.00 0.00 0.48 0.00 0.00 55.95 57.17 3i4n s SER 54 Cb -0.04 -2.43 0.02 0.00 0.10 0.00 0.00 66.02 63.68 3i4n s SER 54 CO 0.02 -0.63 -0.06 -0.76 0.98 0.00 0.00 173.24 172.78 3i4n s LEU 55 N 3.02 1.14 -0.29 2.42 1.43 -0.91 -4.79 118.68 120.71 3i4n s LEU 55 Ca 0.34 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 3i4n s LEU 55 Cb -0.14 -0.71 -0.00 0.00 0.03 0.00 0.00 46.19 45.36 3i4n s LEU 55 CO 0.12 -0.11 1.37 -0.89 0.23 0.00 0.00 176.35 177.08 3i4n s THR 56 N 1.52 4.03 -0.20 5.49 2.01 -1.20 -2.38 115.64 124.91 3i4n s THR 56 Ca 0.00 1.16 -0.12 0.00 0.31 0.00 0.00 61.69 63.04 3i4n s THR 56 Cb -0.13 -4.07 -0.05 0.00 0.01 0.00 0.00 72.50 68.26 3i4n s THR 56 CO -0.05 -0.46 0.24 -0.69 -0.69 0.00 0.00 174.62 172.97 3i4n s VAL 57 N 4.61 5.32 0.09 3.82 1.01 -0.09 -3.29 120.40 131.87 3i4n s VAL 57 Ca 0.60 0.39 0.02 0.00 0.00 0.00 0.00 61.98 62.98 3i4n s VAL 57 Cb -0.18 -3.57 -0.04 0.00 0.00 0.00 0.00 36.38 32.59 3i4n s VAL 57 CO 0.25 0.36 -0.07 -0.89 0.00 0.00 0.00 175.10 174.75 3i4n s THR 58 N 0.81 0.65 -0.14 3.92 2.01 -0.75 -2.16 115.64 119.98 3i4n s THR 58 Ca 0.12 -1.76 -0.21 0.00 0.31 0.00 0.00 61.69 60.14 3i4n s THR 58 Cb -0.13 -1.47 0.05 0.00 0.01 0.00 0.00 72.50 70.97 3i4n s THR 58 CO 0.04 -0.78 0.55 -0.63 -0.69 0.00 0.00 174.62 173.10 3i4n s ILE 59 N -3.19 0.01 0.00 1.82 1.01 -0.67 -1.71 121.20 118.47 3i4n s ILE 59 Ca 0.07 -0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.65 3i4n s ILE 59 Cb 0.02 -0.81 0.00 0.00 0.01 0.00 0.00 42.46 41.69 3i4n s ILE 59 CO -0.04 -0.04 0.00 0.00 0.00 0.00 0.00 174.94 174.86 3i4n n ALA 60 N 2.09 0.00 -3.24 9.38 0.00 -1.21 -0.10 120.51 127.43 3i4n n ALA 60 Ca -0.16 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 52.83 3i4n n ALA 60 Cb 0.56 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.01 3i4n n ALA 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i4n s SER 61 N 0.00 7.13 0.06 0.00 1.04 -1.26 -2.28 113.70 118.38 3i4n s SER 61 Ca 0.00 -3.21 -0.28 0.00 0.48 0.00 0.00 55.95 52.94 3i4n s SER 61 Cb 0.00 -2.26 0.10 0.00 0.10 0.00 0.00 66.02 63.96 3i4n s SER 61 CO 0.00 -0.47 1.15 -0.55 0.98 0.00 0.00 173.24 174.35 3i4n s SER 62 N 1.90 -0.09 0.00 7.02 0.15 -1.26 -4.83 113.70 116.59 3i4n s SER 62 Ca 0.30 -0.29 0.00 0.00 0.70 0.00 0.00 55.95 56.67 3i4n s SER 62 Cb -0.08 0.31 0.00 0.00 -1.71 0.00 0.00 66.02 64.53 3i4n s SER 62 CO -0.07 -0.57 0.00 0.00 1.20 0.00 0.00 173.24 173.80 3i4n n LEU 63 N -0.53 0.00 -3.50 3.45 -0.00 -1.26 -4.95 117.00 110.21 3i4n n LEU 63 Ca -0.06 0.00 -0.26 0.00 -0.00 0.00 0.00 56.01 55.68 3i4n n LEU 63 Cb 0.61 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.90 3i4n n LEU 63 CO 0.14 0.00 -0.29 0.20 -0.00 0.00 0.00 177.39 177.43 3i4n s ASN 64 N -1.30 3.04 0.00 1.45 0.01 -1.26 -4.40 114.94 112.48 3i4n s ASN 64 Ca 0.00 -1.32 0.00 0.00 -0.71 0.00 0.00 52.86 50.83 3i4n s ASN 64 Cb 0.00 -0.17 0.00 0.00 0.41 0.00 0.00 41.25 41.49 3i4n s ASN 64 CO 0.00 -0.41 0.00 0.18 -1.51 0.00 0.00 177.10 175.36 3i4n n LEU 65 N 5.06 0.00 0.00 0.60 4.77 -1.26 -4.86 117.00 121.31 3i4n n LEU 65 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 3i4n n LEU 65 Cb 0.42 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 3i4n n LEU 65 CO 0.05 0.00 0.17 -0.62 -1.33 0.00 0.00 177.39 175.66 3i4n n GLU 66 N 0.00 0.00 0.00 3.23 -0.58 -1.26 -4.73 120.64 117.30 3i4n n GLU 66 Ca 0.00 0.14 0.00 0.00 -0.42 0.00 0.00 57.16 56.88 3i4n n GLU 66 Cb 0.00 -0.84 0.00 0.00 -0.57 0.00 0.00 31.44 30.03 3i4n n GLU 66 CO 0.00 0.00 0.00 -2.37 -0.48 0.00 0.00 177.13 174.28 3i4n n THR 76 N -0.48 0.00 0.00 2.62 5.66 -1.26 -4.35 114.28 116.47 3i4n n THR 76 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 3i4n n THR 76 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 3i4n n THR 76 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i4n n ARG 77 N 0.00 0.00 -0.71 1.09 1.74 -1.26 -5.00 116.66 112.52 3i4n n ARG 77 Ca 0.00 0.00 -0.16 0.00 -0.77 0.00 0.00 57.85 56.92 3i4n n ARG 77 Cb 0.00 0.00 0.07 0.00 -1.02 0.00 0.00 32.46 31.51 3i4n n ARG 77 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 3i4n n SER 78 N -1.43 -2.59 -3.81 0.55 2.88 -1.26 -4.97 113.62 103.00 3i4n n SER 78 Ca 0.00 -0.16 -0.29 0.00 -1.33 0.00 0.00 58.87 57.09 3i4n n SER 78 Cb 0.00 -0.63 -0.13 0.00 -0.75 0.00 0.00 64.21 62.70 3i4n n SER 78 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3i4n s TRP 79 N -2.04 2.61 0.35 0.66 -0.00 -1.26 -5.11 118.94 114.15 3i4n s TRP 79 Ca 0.24 -2.84 -0.23 0.00 -0.00 0.00 0.00 56.10 53.27 3i4n s TRP 79 Cb -0.01 -2.29 -0.15 0.00 -0.00 0.00 0.00 33.47 31.01 3i4n s TRP 79 CO 0.30 -0.73 0.32 0.54 -0.00 0.00 0.00 176.95 177.37 3i4n n ARG 80 N 3.08 0.15 0.00 5.86 5.12 -1.26 -4.99 116.66 124.62 3i4n n ARG 80 Ca 0.10 0.05 0.00 0.00 -1.93 0.00 0.00 57.85 56.08 3i4n n ARG 80 Cb 0.35 -1.12 0.00 0.00 -1.16 0.00 0.00 32.46 30.52 3i4n n ARG 80 CO 0.00 0.00 0.00 -0.35 -1.93 0.00 0.00 177.63 175.35 3i4n n PRO 81 N 1.09 0.00 0.00 5.56 -0.04 -1.26 -5.00 135.00 135.35 3i4n n PRO 81 Ca 0.13 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.59 3i4n n PRO 81 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 3i4n n PRO 81 CO 0.00 0.00 0.00 -0.35 -0.04 0.00 0.00 175.50 175.11 3i4n n PRO 82 N 0.00 0.00 0.00 0.54 -0.04 -1.26 -4.63 135.00 129.61 3i4n n PRO 82 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i4n n PRO 82 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i4n n PRO 82 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3i4n n GLN 83 N 0.00 0.00 0.00 0.54 6.02 -1.26 -4.34 117.38 118.34 3i4n n GLN 83 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 3i4n n GLN 83 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 3i4n n GLN 83 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i4n n ALA 84 N 0.00 0.98 -0.20 -1.58 0.00 -1.26 -3.06 120.51 115.38 3i4n n ALA 84 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.60 3i4n n ALA 84 Cb 0.00 -0.65 0.49 0.00 0.00 0.00 0.00 19.45 19.28 3i4n n ALA 84 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 3i4n h GLY 85 N 0.00 0.81 0.00 0.00 0.00 -1.96 -2.77 103.07 99.15 3i4n h GLY 85 Ca 0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 47.33 46.79 3i4n h GLY 85 CO 0.00 0.05 -1.90 2.09 0.00 0.00 0.00 176.54 176.78 3i4n n ASP 86 N -4.50 1.91 -1.76 0.19 5.68 -1.17 -5.05 116.55 111.86 3i4n n ASP 86 Ca 0.16 0.38 -0.17 0.00 -0.50 0.00 0.00 54.79 54.66 3i4n n ASP 86 Cb 0.56 -0.88 0.01 0.00 -1.14 0.00 0.00 41.12 39.67 3i4n n ASP 86 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 3i4n n ARG 87 N -4.34 0.00 -1.75 0.11 1.74 -1.05 -4.82 116.66 106.54 3i4n n ARG 87 Ca -0.43 0.00 -0.39 0.00 -0.77 0.00 0.00 57.85 56.26 3i4n n ARG 87 Cb 0.77 -0.44 0.04 0.00 -1.02 0.00 0.00 32.46 31.81 3i4n n ARG 87 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 3i4n s SER 88 N -0.44 5.38 -0.44 0.55 1.04 -1.26 -4.98 113.70 113.55 3i4n s SER 88 Ca 0.16 2.84 0.07 0.00 0.48 0.00 0.00 55.95 59.51 3i4n s SER 88 Cb 0.02 -2.64 0.24 0.00 0.10 0.00 0.00 66.02 63.74 3i4n s SER 88 CO 0.31 -1.50 0.55 0.18 0.98 0.00 0.00 173.24 173.75 3i4n n LEU 89 N -0.83 0.85 -0.95 2.42 4.77 -1.26 -4.86 117.00 117.14 3i4n n LEU 89 Ca 0.09 -4.82 0.00 0.00 -0.03 0.00 0.00 56.01 51.25 3i4n n LEU 89 Cb 0.44 0.37 0.00 0.00 -2.33 0.00 0.00 43.42 41.90 3i4n n LEU 89 CO 0.55 2.05 0.04 0.00 -1.33 0.00 0.00 177.39 178.70 3i4n n ALA 90 N 1.39 1.54 -0.11 -1.18 0.00 -1.26 -3.19 120.51 117.69 3i4n n ALA 90 Ca 0.23 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.75 3i4n n ALA 90 Cb 0.50 -1.00 0.28 0.00 0.00 0.00 0.00 19.45 19.24 3i4n n ALA 90 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3i4n n ASP 91 N 0.90 3.77 -2.94 0.00 5.75 -1.26 -4.81 116.55 117.96 3i4n n ASP 91 Ca 0.00 -2.29 0.00 0.00 -0.01 0.00 0.00 54.79 52.49 3i4n n ASP 91 Cb 0.04 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 39.64 3i4n n ASP 91 CO 0.00 0.00 0.00 0.47 -0.11 0.00 0.00 177.20 177.56 3i4n n ASP 92 N 0.93 0.00 -0.31 -1.12 8.00 -1.19 -4.46 116.55 118.40 3i4n n ASP 92 Ca 0.20 -1.47 0.00 0.00 0.71 0.00 0.00 54.79 54.23 3i4n n ASP 92 Cb 0.69 -0.25 0.00 0.00 -0.02 0.00 0.00 41.12 41.55 3i4n n ASP 92 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 3i4n n TYR 93 N 3.79 -0.22 0.00 1.24 4.02 -1.26 -4.99 117.16 119.74 3i4n n TYR 93 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 3i4n n TYR 93 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 3i4n n TYR 93 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 176.86 175.60 3i4n n ASP 94 N -0.48 0.00 -4.69 7.72 8.00 0.74 -4.98 116.55 122.86 3i4n n ASP 94 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3i4n n ASP 94 Cb 0.00 -0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 40.90 3i4n n ASP 94 CO 0.00 0.00 0.00 -0.47 -0.39 0.00 0.00 177.20 176.34 3i4n s TYR 95 N -0.97 3.53 -0.41 1.24 6.04 -0.94 -4.92 117.35 120.91 3i4n s TYR 95 Ca 0.00 1.48 0.03 0.00 0.04 0.00 0.00 57.07 58.63 3i4n s TYR 95 Cb 0.00 -3.08 0.17 0.00 -1.04 0.00 0.00 41.96 38.00 3i4n s TYR 95 CO 0.00 -0.15 0.32 0.08 -1.54 0.00 0.00 175.55 174.27 3i4n s VAL 96 N 1.70 0.38 0.52 3.14 1.01 -1.26 -0.95 120.40 124.95 3i4n s VAL 96 Ca 0.45 -2.56 -0.06 0.00 0.00 0.00 0.00 61.98 59.81 3i4n s VAL 96 Cb -0.18 -1.28 0.11 0.00 0.00 0.00 0.00 36.38 35.03 3i4n s VAL 96 CO 0.18 -1.19 0.71 0.23 0.00 0.00 0.00 175.10 175.03 3i4n n MET 97 N 3.00 -0.39 -3.64 2.72 2.81 -1.21 -4.85 117.12 115.57 3i4n n MET 97 Ca 0.27 -1.38 -0.04 0.00 -1.81 0.00 0.00 57.70 54.74 3i4n n MET 97 Cb 0.46 -0.64 -0.07 0.00 -0.71 0.00 0.00 33.22 32.26 3i4n n MET 97 CO 0.00 0.00 0.00 -0.47 1.51 0.00 0.00 175.97 177.01 3i4n s TYR 98 N -2.32 -0.79 0.00 2.03 5.04 -1.26 -1.48 117.35 118.56 3i4n s TYR 98 Ca 0.42 1.57 0.00 0.00 -2.44 0.00 0.00 57.07 56.63 3i4n s TYR 98 Cb -0.02 0.47 0.00 0.00 0.35 0.00 0.00 41.96 42.77 3i4n s TYR 98 CO 0.29 -0.39 0.00 0.41 -1.34 0.00 0.00 175.55 174.52 3i4n n GLY 99 N 3.99 4.01 3.45 8.97 0.00 -1.26 -4.46 105.19 119.90 3i4n n GLY 99 Ca -0.19 -0.59 -0.22 0.00 0.00 0.00 0.00 46.02 45.02 3i4n n GLY 99 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i4n s THR 100 N -0.26 1.53 -0.20 2.61 2.01 0.77 -4.14 115.64 117.96 3i4n s THR 100 Ca 0.00 -2.07 -0.02 0.00 0.31 0.00 0.00 61.69 59.91 3i4n s THR 100 Cb 0.00 -2.61 0.00 0.00 0.01 0.00 0.00 72.50 69.90 3i4n s THR 100 CO 0.00 -0.18 -0.10 0.00 -0.69 0.00 0.00 174.62 173.65 3i4n s ALA 101 N -3.07 2.65 0.00 7.40 0.00 -1.25 0.23 121.76 127.72 3i4n s ALA 101 Ca 0.32 -1.16 0.00 0.00 0.00 0.00 0.00 51.96 51.12 3i4n s ALA 101 Cb 0.06 -1.50 0.00 0.00 0.00 0.00 0.00 23.12 21.68 3i4n s ALA 101 CO 0.14 -0.35 0.00 2.48 0.00 0.00 0.00 175.76 178.03 3i4n n TYR 102 N 4.64 0.00 -3.70 0.00 -0.00 0.70 -4.77 117.16 114.02 3i4n n TYR 102 Ca -0.19 0.00 -0.29 0.00 -0.00 0.00 0.00 57.90 57.42 3i4n n TYR 102 Cb 0.51 -0.01 -0.04 0.00 -0.00 0.00 0.00 39.34 39.80 3i4n n TYR 102 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 176.86 177.07 3i4n s LYS 103 N -0.04 3.54 -0.69 -3.48 2.20 -1.26 -4.91 119.74 115.11 3i4n s LYS 103 Ca 0.00 -0.27 0.02 0.00 -0.36 0.00 0.00 55.97 55.36 3i4n s LYS 103 Cb 0.00 -2.85 0.17 0.00 -1.51 0.00 0.00 37.83 33.63 3i4n s LYS 103 CO 0.00 0.43 0.48 -0.06 -0.36 0.00 0.00 175.35 175.85 3i4n s PHE 104 N -1.78 3.51 0.72 4.03 0.40 -1.26 -1.09 117.98 122.51 3i4n s PHE 104 Ca 0.39 -3.15 -0.11 0.00 -0.60 0.00 0.00 56.93 53.46 3i4n s PHE 104 Cb -0.11 -2.92 0.03 0.00 0.51 0.00 0.00 43.02 40.52 3i4n s PHE 104 CO 0.28 -0.68 1.11 -2.00 0.70 0.00 0.00 175.22 174.63 3i4n s GLU 105 N -0.94 2.69 -0.49 0.44 2.12 -0.65 -4.95 118.70 116.91 3i4n s GLU 105 Ca 0.22 0.39 0.06 0.00 0.36 0.00 0.00 54.97 56.00 3i4n s GLU 105 Cb -0.13 -2.01 0.21 0.00 0.26 0.00 0.00 34.13 32.46 3i4n s GLU 105 CO -0.10 -1.14 0.48 0.39 -0.54 0.00 0.00 175.26 174.36 3i4n n GLU 106 N -3.06 0.99 -0.95 4.30 1.02 -1.26 -2.60 120.64 119.08 3i4n n GLU 106 Ca 0.07 -3.65 -0.40 0.00 -0.02 0.00 0.00 57.16 53.17 3i4n n GLU 106 Cb 0.58 -1.73 -0.10 0.00 -0.02 0.00 0.00 31.44 30.17 3i4n n GLU 106 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3i4n n VAL 107 N 1.96 0.72 -1.09 2.62 0.31 -1.22 -4.80 118.33 116.83 3i4n n VAL 107 Ca 0.25 -0.66 0.14 0.00 -0.01 0.00 0.00 64.34 64.06 3i4n n VAL 107 Cb 0.46 -2.11 -0.04 0.00 -0.91 0.00 0.00 33.84 31.24 3i4n n VAL 107 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3i4n n SER 108 N 10.19 -6.09 0.00 4.52 3.41 -1.26 -4.06 113.62 120.33 3i4n n SER 108 Ca 0.47 0.55 0.00 0.00 -0.26 0.00 0.00 58.87 59.63 3i4n n SER 108 Cb 0.42 -3.47 0.00 0.00 -0.26 0.00 0.00 64.21 60.90 3i4n n SER 108 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3i4n n LYS 109 N -3.36 0.00 -0.75 4.33 5.02 -1.26 -0.95 118.16 121.20 3i4n n LYS 109 Ca -0.01 0.00 -0.04 0.00 -2.02 0.00 0.00 58.31 56.25 3i4n n LYS 109 Cb 0.62 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.60 3i4n n LYS 109 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 3i4n n ASP 110 N 3.05 -0.51 -3.53 4.39 5.75 -1.26 -5.02 116.55 119.42 3i4n n ASP 110 Ca 0.00 -1.04 -0.40 0.00 -0.01 0.00 0.00 54.79 53.34 3i4n n ASP 110 Cb 0.00 0.15 0.01 0.00 -1.03 0.00 0.00 41.12 40.25 3i4n n ASP 110 CO 0.00 0.00 0.00 0.18 -0.11 0.00 0.00 177.20 177.27 3i4n n LEU 111 N 0.00 7.78 -4.59 -2.12 4.77 -0.12 -4.31 117.00 118.40 3i4n n LEU 111 Ca -0.14 -5.08 -0.33 0.00 -0.03 0.00 0.00 56.01 50.43 3i4n n LEU 111 Cb 0.48 -1.28 0.13 0.00 -2.33 0.00 0.00 43.42 40.42 3i4n n LEU 111 CO -0.07 2.06 0.45 -0.38 -1.33 0.00 0.00 177.39 178.12 3i4n n ILE 112 N 1.00 0.81 -3.67 -0.08 5.41 -1.24 -3.41 119.36 118.18 3i4n n ILE 112 Ca 0.56 -0.15 -0.11 0.00 1.00 0.00 0.00 62.75 64.05 3i4n n ILE 112 Cb 0.25 -0.94 -0.11 0.00 -0.71 0.00 0.00 39.64 38.13 3i4n n ILE 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i4n s ALA 113 N -2.35 -0.85 0.10 -1.39 0.00 -1.07 -1.90 121.76 114.30 3i4n s ALA 113 Ca 0.66 1.23 0.03 0.00 0.00 0.00 0.00 51.96 53.89 3i4n s ALA 113 Cb -0.26 -1.12 -0.04 0.00 0.00 0.00 0.00 23.12 21.70 3i4n s ALA 113 CO 0.58 -0.64 0.10 0.14 0.00 0.00 0.00 175.76 175.94 3i4n s VAL 114 N 2.36 4.54 -0.19 0.00 -7.23 -1.25 -1.63 120.40 117.01 3i4n s VAL 114 Ca -0.01 -0.84 -0.04 0.00 -1.81 0.00 0.00 61.98 59.27 3i4n s VAL 114 Cb -0.12 -3.22 -0.02 0.00 0.56 0.00 0.00 36.38 33.58 3i4n s VAL 114 CO -0.11 0.06 -0.02 -0.31 -0.31 0.00 0.00 175.10 174.42 3i4n s TYR 115 N -1.49 3.02 -0.23 2.82 1.51 -0.25 -1.96 117.35 120.77 3i4n s TYR 115 Ca 0.30 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.92 3i4n s TYR 115 Cb -0.12 -2.04 0.04 0.00 -0.11 0.00 0.00 41.96 39.73 3i4n s TYR 115 CO 0.23 -0.20 -0.12 0.71 -1.11 0.00 0.00 175.55 175.05 3i4n s TYR 116 N 0.82 3.06 -0.00 2.71 1.51 -0.37 -0.22 117.35 124.87 3i4n s TYR 116 Ca -0.00 -1.92 -0.02 0.00 -1.01 0.00 0.00 57.07 54.12 3i4n s TYR 116 Cb -0.14 -1.96 -0.04 0.00 -0.11 0.00 0.00 41.96 39.70 3i4n s TYR 116 CO 0.02 -0.82 0.17 0.45 -1.11 0.00 0.00 175.55 174.26 3i4n s SER 117 N 1.22 6.25 -0.71 2.29 0.15 0.63 -0.98 113.70 122.55 3i4n s SER 117 Ca -0.02 0.31 0.04 0.00 0.70 0.00 0.00 55.95 56.98 3i4n s SER 117 Cb -0.17 -1.93 0.17 0.00 -1.71 0.00 0.00 66.02 62.38 3i4n s SER 117 CO -0.07 0.26 0.51 -0.36 1.20 0.00 0.00 173.24 174.77 3i4n s PHE 118 N -1.32 3.59 0.00 3.44 0.40 0.45 0.27 117.98 124.81 3i4n s PHE 118 Ca 0.27 -3.31 0.00 0.00 -0.60 0.00 0.00 56.93 53.30 3i4n s PHE 118 Cb -0.13 -2.77 0.00 0.00 0.51 0.00 0.00 43.02 40.64 3i4n s PHE 118 CO 0.19 -0.57 0.00 0.41 0.70 0.00 0.00 175.22 175.94 3i4n n GLY 119 N 2.06 0.00 0.00 4.36 0.00 -1.26 -2.13 105.19 108.22 3i4n n GLY 119 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 3i4n n GLY 119 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i4n n GLY 120 N -0.25 0.00 3.88 -0.02 0.00 -1.26 -5.13 105.19 102.42 3i4n n GLY 120 Ca 0.00 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 3i4n n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i4n s LEU 121 N -0.36 4.34 0.48 0.99 1.43 -0.91 -5.11 118.68 119.54 3i4n s LEU 121 Ca 0.00 0.39 0.08 0.00 -1.03 0.00 0.00 54.13 53.57 3i4n s LEU 121 Cb 0.00 -2.31 0.03 0.00 0.03 0.00 0.00 46.19 43.94 3i4n s LEU 121 CO 0.00 0.34 0.58 -0.76 0.23 0.00 0.00 176.35 176.74 3i4n s LEU 122 N -1.46 3.34 -0.04 1.79 1.43 -1.26 0.17 118.68 122.65 3i4n s LEU 122 Ca 0.21 -0.70 -0.29 0.00 -1.03 0.00 0.00 54.13 52.31 3i4n s LEU 122 Cb -0.12 -2.08 0.08 0.00 0.03 0.00 0.00 46.19 44.11 3i4n s LEU 122 CO 0.11 -0.94 0.75 -0.32 0.23 0.00 0.00 176.35 176.17 3i4n s MET 123 N -4.39 0.98 -0.11 1.70 -2.45 -0.15 -2.95 119.30 111.93 3i4n s MET 123 Ca 0.53 0.08 -0.09 0.00 -1.25 0.00 0.00 55.69 54.96 3i4n s MET 123 Cb -0.06 0.46 0.03 0.00 1.25 0.00 0.00 34.83 36.51 3i4n s MET 123 CO 0.32 -0.34 0.28 0.50 1.05 0.00 0.00 175.02 176.83 3i4n s ARG 124 N -1.73 0.31 0.53 4.11 3.52 -0.12 -1.24 118.95 124.33 3i4n s ARG 124 Ca -0.06 0.42 0.00 0.00 -0.13 0.00 0.00 55.73 55.96 3i4n s ARG 124 Cb -0.00 0.11 0.00 0.00 -1.56 0.00 0.00 34.95 33.49 3i4n s ARG 124 CO 0.03 -0.06 0.00 -0.11 -0.81 0.00 0.00 175.30 174.35 3i4n n LEU 125 N 3.18 0.00 -3.63 -0.88 7.94 -0.83 -0.29 117.00 122.50 3i4n n LEU 125 Ca -0.15 -3.32 -0.07 0.00 -1.11 0.00 0.00 56.01 51.36 3i4n n LEU 125 Cb 0.57 0.37 -0.06 0.00 0.53 0.00 0.00 43.42 44.83 3i4n n LEU 125 CO 0.16 -0.47 0.90 -0.70 -1.11 0.00 0.00 177.39 176.18 3i4n s GLU 126 N -3.91 0.36 0.00 1.96 2.12 -1.12 -3.78 118.70 114.34 3i4n s GLU 126 Ca 0.00 0.29 0.00 0.00 0.36 0.00 0.00 54.97 55.62 3i4n s GLU 126 Cb -0.00 0.17 0.00 0.00 0.26 0.00 0.00 34.13 34.56 3i4n s GLU 126 CO 0.00 -0.07 0.00 0.41 -0.54 0.00 0.00 175.26 175.06 3i4n n GLY 127 N 1.50 -0.81 0.00 -1.50 0.00 -0.80 -3.45 105.19 100.13 3i4n n GLY 127 Ca -0.10 0.30 0.00 0.00 0.00 0.00 0.00 46.02 46.22 3i4n n GLY 127 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i4n n ASN 128 N 0.00 0.00 -1.71 1.61 2.85 -1.26 -3.59 115.26 113.16 3i4n n ASN 128 Ca 0.00 0.00 -0.04 0.00 -0.11 0.00 0.00 54.58 54.43 3i4n n ASN 128 Cb 0.00 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.26 3i4n n ASN 128 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 3i4n n TYR 129 N 0.00 1.88 -1.19 1.20 0.18 -1.26 -3.82 117.16 114.15 3i4n n TYR 129 Ca 0.00 -0.93 -0.18 0.00 1.88 0.00 0.00 57.90 58.68 3i4n n TYR 129 Cb 0.00 -0.56 0.22 0.00 -0.38 0.00 0.00 39.34 38.62 3i4n n TYR 129 CO 0.00 0.00 0.00 0.54 -2.08 0.00 0.00 176.86 175.32 3i4n n ARG 130 N -0.00 2.65 0.00 -3.48 3.00 -1.26 -4.77 116.66 112.79 3i4n n ARG 130 Ca 0.31 -3.05 0.00 0.00 -0.01 0.00 0.00 57.85 55.10 3i4n n ARG 130 Cb 1.14 -2.17 0.00 0.00 0.00 0.00 0.00 32.46 31.43 3i4n n ARG 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 3i4n n ASN 131 N -0.87 0.00 -0.56 0.55 3.02 -1.25 0.39 115.26 116.55 3i4n n ASN 131 Ca 0.53 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 3i4n n ASN 131 Cb 1.56 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 40.73 3i4n n ASN 131 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3i4n n LEU 132 N 0.00 0.64 0.01 3.41 4.77 -1.26 -3.31 117.00 121.26 3i4n n LEU 132 Ca 0.00 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.66 3i4n n LEU 132 Cb 0.00 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 3i4n n LEU 132 CO 0.00 0.14 -0.39 0.59 -1.33 0.00 0.00 177.39 176.40 3i4n n ASN 133 N 0.31 0.23 -4.55 -1.43 3.02 -1.21 -4.97 115.26 106.66 3i4n n ASN 133 Ca 0.00 0.03 -0.39 0.00 -0.03 0.00 0.00 54.58 54.19 3i4n n ASN 133 Cb 0.14 -0.07 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 3i4n n ASN 133 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 3i4n s ASN 134 N -5.21 5.99 0.70 6.41 3.84 0.16 -4.82 114.94 122.01 3i4n s ASN 134 Ca 0.00 -0.53 -0.12 0.00 0.21 0.00 0.00 52.86 52.42 3i4n s ASN 134 Cb 0.00 -2.56 0.02 0.00 -0.55 0.00 0.00 41.25 38.16 3i4n s ASN 134 CO 0.00 -1.94 1.07 -0.76 -2.79 0.00 0.00 177.10 172.69 3i4n s LEU 135 N 6.54 3.18 0.28 3.21 1.43 -1.26 -4.89 118.68 127.16 3i4n s LEU 135 Ca 0.46 1.75 0.25 0.00 -1.03 0.00 0.00 54.13 55.56 3i4n s LEU 135 Cb -0.07 -4.52 0.62 0.00 0.03 0.00 0.00 46.19 42.25 3i4n s LEU 135 CO 0.09 -1.62 1.68 0.11 0.23 0.00 0.00 176.35 176.85 3i4n h LYS 136 N -0.60 0.00 -5.58 1.70 1.57 -1.96 -3.48 116.57 108.22 3i4n h LYS 136 Ca -0.44 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.81 3i4n h LYS 136 Cb 1.22 0.00 0.20 0.00 0.08 0.00 0.00 32.23 33.74 3i4n h LYS 136 CO 0.55 0.00 -1.51 1.04 -0.57 0.00 0.00 179.45 178.96 3i4n n GLN 137 N -2.53 0.00 0.06 3.15 6.02 -1.26 -4.69 117.38 118.13 3i4n n GLN 137 Ca 0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 57.01 3i4n n GLN 137 Cb 0.47 -0.93 -0.01 0.00 1.02 0.00 0.00 30.24 30.78 3i4n n GLN 137 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3i4n h GLU 138 N -0.61 -0.19 -4.78 -1.09 4.81 -1.89 -3.35 114.58 107.47 3i4n h GLU 138 Ca -0.40 0.01 -0.52 0.00 -0.13 0.00 0.00 59.36 58.33 3i4n h GLU 138 Cb 1.26 0.04 0.10 0.00 0.63 0.00 0.00 28.75 30.78 3i4n h GLU 138 CO 0.27 -0.13 -0.57 0.09 -0.73 0.00 0.00 179.01 177.95 3i4n n ASN 139 N -3.58 -1.57 0.00 1.04 3.02 -1.26 -3.80 115.26 109.11 3i4n n ASN 139 Ca -0.02 0.79 0.00 0.00 -0.03 0.00 0.00 54.58 55.31 3i4n n ASN 139 Cb 0.08 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.51 3i4n n ASN 139 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i4n n ALA 140 N -0.36 0.00 -1.77 5.41 0.00 -1.26 -4.74 120.51 117.79 3i4n n ALA 140 Ca 0.12 0.00 -0.40 0.00 0.00 0.00 0.00 53.44 53.16 3i4n n ALA 140 Cb 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.69 3i4n n ALA 140 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.50 178.21 3i4n s TYR 141 N 0.00 2.98 0.21 0.00 1.51 -0.97 -4.02 117.35 117.06 3i4n s TYR 141 Ca 0.00 1.46 0.05 0.00 -1.01 0.00 0.00 57.07 57.57 3i4n s TYR 141 Cb 0.00 -3.60 -0.04 0.00 -0.11 0.00 0.00 41.96 38.22 3i4n s TYR 141 CO 0.00 -1.78 0.23 -1.17 -1.11 0.00 0.00 175.55 171.71 3i4n s LEU 142 N -2.19 4.00 -0.11 -1.29 2.96 -0.55 -3.30 118.68 118.19 3i4n s LEU 142 Ca 0.54 -0.08 -0.11 0.00 -0.22 0.00 0.00 54.13 54.26 3i4n s LEU 142 Cb -0.37 -2.56 0.03 0.00 0.50 0.00 0.00 46.19 43.79 3i4n s LEU 142 CO 0.48 0.00 0.32 -0.76 -1.32 0.00 0.00 176.35 175.07 3i4n s LEU 143 N -3.54 0.79 0.03 -0.68 1.02 -0.69 -3.31 118.68 112.30 3i4n s LEU 143 Ca 0.33 0.60 0.00 0.00 0.02 0.00 0.00 54.13 55.08 3i4n s LEU 143 Cb -0.09 1.10 -0.02 0.00 0.02 0.00 0.00 46.19 47.20 3i4n s LEU 143 CO 0.26 -0.14 -0.04 -0.63 0.02 0.00 0.00 176.35 175.82 3i4n s ILE 144 N 0.06 0.23 0.03 -0.59 1.01 -0.12 -1.81 121.20 120.01 3i4n s ILE 144 Ca -0.01 -1.06 -0.25 0.00 0.00 0.00 0.00 60.65 59.32 3i4n s ILE 144 Cb -0.02 -0.50 0.06 0.00 0.01 0.00 0.00 42.46 42.01 3i4n s ILE 144 CO 0.01 -0.53 0.59 0.00 0.00 0.00 0.00 174.94 175.00 3i4n s ARG 145 N -1.79 1.08 0.00 2.79 1.70 -1.21 -0.19 118.95 121.33 3i4n s ARG 145 Ca -0.12 -0.09 0.00 0.00 -0.47 0.00 0.00 55.73 55.05 3i4n s ARG 145 Cb -0.08 0.50 0.00 0.00 -0.57 0.00 0.00 34.95 34.80 3i4n s ARG 145 CO -0.02 -0.38 0.00 0.54 -1.08 0.00 0.00 175.30 174.36