#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i4n n ARG 3 N 0.00 1.90 -0.17 -0.14 5.12 0.08 -4.91 116.66 118.54 1i4n n ARG 3 Ca 0.00 0.00 -0.03 0.00 -1.93 0.00 0.00 57.85 55.89 1i4n n ARG 3 Cb 0.00 -0.86 0.04 0.00 -1.16 0.00 0.00 32.46 30.48 1i4n n ARG 3 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 1i4n h LEU 4 N 0.00 -0.61 -0.52 0.55 5.85 -1.74 -2.50 115.31 116.34 1i4n h LEU 4 Ca 0.00 0.17 0.10 0.00 0.84 0.00 0.00 57.88 58.99 1i4n h LEU 4 Cb 0.12 0.37 -0.08 0.00 0.37 0.00 0.00 40.66 41.45 1i4n h LEU 4 CO 0.00 -0.21 0.07 -0.25 -0.34 0.00 0.00 178.44 177.71 1i4n h TRP 5 N -0.04 0.09 -0.68 1.25 7.01 -1.95 -1.18 115.95 120.44 1i4n h TRP 5 Ca 0.25 0.03 0.06 0.00 2.11 0.00 0.00 58.89 61.34 1i4n h TRP 5 Cb 0.43 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.48 1i4n h TRP 5 CO -0.48 -0.06 0.39 1.49 -2.79 0.00 0.00 178.44 177.00 1i4n h GLU 6 N 0.19 0.70 -0.14 2.65 4.81 -1.83 -1.97 114.58 118.99 1i4n h GLU 6 Ca 0.26 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.43 1i4n h GLU 6 Cb 0.38 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 1i4n h GLU 6 CO -0.38 0.46 0.02 0.82 -0.73 0.00 0.00 179.01 179.20 1i4n h ILE 7 N 0.72 1.23 -0.82 2.32 2.04 -0.89 -2.66 117.51 119.45 1i4n h ILE 7 Ca 0.30 -0.74 0.01 0.00 1.00 0.00 0.00 64.86 65.44 1i4n h ILE 7 Cb 0.17 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.65 1i4n h ILE 7 CO -0.17 0.22 0.54 0.58 0.00 0.00 0.00 178.15 179.32 1i4n h VAL 8 N 0.01 1.20 -0.14 1.67 2.07 -1.00 -2.36 116.25 117.69 1i4n h VAL 8 Ca 0.04 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 1i4n h VAL 8 Cb 0.32 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.08 1i4n h VAL 8 CO 0.00 0.20 -0.14 -0.33 0.02 0.00 0.00 177.57 177.33 1i4n h GLU 9 N 1.10 0.22 0.00 1.57 4.39 -1.32 -1.99 114.58 118.56 1i4n h GLU 9 Ca 0.30 -0.05 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 1i4n h GLU 9 Cb -0.12 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.48 1i4n h GLU 9 CO -0.07 0.37 -0.60 0.00 -1.16 0.00 0.00 179.01 177.55 1i4n h ALA 10 N 1.65 0.91 0.00 3.43 0.00 -1.07 -3.10 119.26 121.08 1i4n h ALA 10 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1i4n h ALA 10 Cb 0.38 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1i4n h ALA 10 CO 0.02 0.75 -0.21 -0.22 0.00 0.00 0.00 179.25 179.59 1i4n h LYS 11 N 0.00 0.00 -0.11 0.00 1.63 -0.91 -2.76 116.57 114.43 1i4n h LYS 11 Ca -0.01 0.00 -0.16 0.00 -0.85 0.00 0.00 60.65 59.63 1i4n h LYS 11 Cb 1.13 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.75 1i4n h LYS 11 CO 0.08 0.00 -0.62 0.87 -3.45 0.00 0.00 179.45 176.33 1i4n h LYS 12 N 0.00 0.39 -0.13 1.90 1.57 -1.32 -2.98 116.57 116.01 1i4n h LYS 12 Ca 0.00 -0.27 -0.23 0.00 -1.87 0.00 0.00 60.65 58.28 1i4n h LYS 12 Cb 0.99 0.04 0.01 0.00 0.08 0.00 0.00 32.23 33.36 1i4n h LYS 12 CO 0.00 0.89 -0.81 0.87 -0.57 0.00 0.00 179.45 179.82 1i4n h LYS 13 N 0.28 0.75 -0.81 3.15 1.57 -1.58 -3.27 116.57 116.66 1i4n h LYS 13 Ca -0.01 -0.64 0.10 0.00 -1.87 0.00 0.00 60.65 58.24 1i4n h LYS 13 Cb 1.16 0.14 -0.08 0.00 0.08 0.00 0.00 32.23 33.53 1i4n h LYS 13 CO 0.11 1.24 0.44 -0.44 -0.57 0.00 0.00 179.45 180.23 1i4n h ASP 14 N 0.50 0.61 0.54 0.86 3.32 -1.44 -2.53 116.42 118.28 1i4n h ASP 14 Ca -0.06 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.04 1i4n h ASP 14 Cb 1.44 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.94 1i4n h ASP 14 CO 0.16 0.34 0.00 2.30 -1.72 0.00 0.00 179.24 180.32 1i4n n ILE 15 N -4.78 0.99 0.19 0.35 -5.35 -1.13 -2.47 119.36 107.16 1i4n n ILE 15 Ca 0.14 0.28 0.07 0.00 -0.27 0.00 0.00 62.75 62.97 1i4n n ILE 15 Cb 0.30 -1.14 0.28 0.00 -1.74 0.00 0.00 39.64 37.34 1i4n n ILE 15 CO 0.00 0.00 0.00 -0.07 -1.76 0.00 0.00 176.55 174.72 1i4n h LEU 16 N 0.00 0.00 -0.94 7.28 3.38 -1.59 -3.05 115.31 120.39 1i4n h LEU 16 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1i4n h LEU 16 Cb 0.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.02 1i4n h LEU 16 CO 0.00 0.30 0.00 -0.62 0.09 0.00 0.00 178.44 178.21 1i4n n GLU 17 N -3.30 1.63 -3.45 1.13 1.02 -1.03 -4.81 120.64 111.82 1i4n n GLU 17 Ca 0.01 -0.93 -0.40 0.00 -0.02 0.00 0.00 57.16 55.82 1i4n n GLU 17 Cb 0.55 -1.44 -0.10 0.00 -0.02 0.00 0.00 31.44 30.43 1i4n n GLU 17 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 1i4n s ILE 18 N -1.91 5.21 -0.97 -3.67 1.01 -1.15 -5.02 121.20 114.69 1i4n s ILE 18 Ca 0.36 0.16 -0.18 0.00 0.00 0.00 0.00 60.65 60.99 1i4n s ILE 18 Cb 0.19 -3.72 0.14 0.00 0.01 0.00 0.00 42.46 39.08 1i4n s ILE 18 CO 0.30 0.04 1.16 -1.81 0.00 0.00 0.00 174.94 174.63 1i4n s ASP 19 N 1.72 6.71 0.49 3.58 1.01 -1.26 -4.91 116.67 124.00 1i4n s ASP 19 Ca 0.11 -2.24 0.33 0.00 0.71 0.00 0.00 52.55 51.46 1i4n s ASP 19 Cb -0.16 -2.39 1.67 0.00 1.01 0.00 0.00 42.92 43.05 1i4n s ASP 19 CO 0.11 -0.98 2.00 1.23 0.21 0.00 0.00 175.17 177.74 1i4n h GLY 20 N 10.15 0.00 0.13 0.21 0.00 -1.95 -2.44 103.07 109.17 1i4n h GLY 20 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.51 1i4n h GLY 20 CO 1.11 0.00 -0.04 1.18 0.00 0.00 0.00 176.54 178.80 1i4n n GLU 21 N -2.71 1.30 -0.90 4.80 1.02 -1.26 -3.89 120.64 119.00 1i4n n GLU 21 Ca -0.01 -0.60 0.02 0.00 -0.02 0.00 0.00 57.16 56.55 1i4n n GLU 21 Cb 0.12 -1.49 0.16 0.00 -0.02 0.00 0.00 31.44 30.22 1i4n n GLU 21 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1i4n n ASN 22 N -0.33 2.02 -4.20 1.62 3.02 -0.92 -5.02 115.26 111.46 1i4n n ASN 22 Ca 0.19 -3.66 -0.33 0.00 -0.03 0.00 0.00 54.58 50.75 1i4n n ASN 22 Cb 0.29 -0.48 -0.16 0.00 -0.61 0.00 0.00 39.78 38.82 1i4n n ASN 22 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1i4n s LEU 23 N -2.96 2.35 -0.36 3.41 1.43 -1.25 -5.06 118.68 116.24 1i4n s LEU 23 Ca 0.39 -0.55 -0.21 0.00 -1.03 0.00 0.00 54.13 52.74 1i4n s LEU 23 Cb 0.38 -1.54 0.00 0.00 0.03 0.00 0.00 46.19 45.06 1i4n s LEU 23 CO -0.07 0.04 0.65 -0.63 0.23 0.00 0.00 176.35 176.57 1i4n s ILE 24 N 1.08 4.88 0.57 -0.59 1.01 -1.26 -5.05 121.20 121.84 1i4n s ILE 24 Ca -0.00 0.59 -0.13 0.00 0.00 0.00 0.00 60.65 61.10 1i4n s ILE 24 Cb -0.14 -4.09 -0.06 0.00 0.01 0.00 0.00 42.46 38.18 1i4n s ILE 24 CO -0.05 -0.33 1.01 0.68 0.00 0.00 0.00 174.94 176.24 1i4n s VAL 25 N 2.74 4.63 0.20 2.92 -7.23 -1.26 -4.21 120.40 118.19 1i4n s VAL 25 Ca 0.25 1.02 0.10 0.00 -1.81 0.00 0.00 61.98 61.53 1i4n s VAL 25 Cb -0.14 -3.80 -0.04 0.00 0.56 0.00 0.00 36.38 32.95 1i4n s VAL 25 CO 0.15 -0.94 -0.11 -1.10 -0.31 0.00 0.00 175.10 172.80 1i4n s GLN 26 N -4.67 2.00 -0.20 4.82 -0.21 -1.26 -4.92 119.66 115.22 1i4n s GLN 26 Ca 0.57 -1.36 -0.02 0.00 0.02 0.00 0.00 55.36 54.57 1i4n s GLN 26 Cb -0.10 -2.09 0.00 0.00 1.00 0.00 0.00 33.01 31.81 1i4n s GLN 26 CO 0.44 0.41 -0.11 0.50 -2.12 0.00 0.00 175.29 174.41 1i4n s ARG 27 N -2.99 3.24 0.45 2.91 6.06 -1.26 -4.86 118.95 122.50 1i4n s ARG 27 Ca 0.26 -0.70 0.03 0.00 -2.50 0.00 0.00 55.73 52.82 1i4n s ARG 27 Cb -0.08 -2.82 0.03 0.00 0.06 0.00 0.00 34.95 32.14 1i4n s ARG 27 CO 0.15 -0.17 0.26 0.54 -2.50 0.00 0.00 175.30 173.58 1i4n n ARG 28 N 4.62 0.86 -2.51 5.12 1.74 -0.63 -5.01 116.66 120.85 1i4n n ARG 28 Ca -0.19 -2.90 -0.21 0.00 -0.77 0.00 0.00 57.85 53.79 1i4n n ARG 28 Cb 0.51 0.43 0.01 0.00 -1.02 0.00 0.00 32.46 32.39 1i4n n ARG 28 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1i4n n ASN 29 N -1.72 3.67 -4.12 0.55 5.15 -1.25 -4.37 115.26 113.17 1i4n n ASN 29 Ca -0.05 -3.37 -0.29 0.00 -0.60 0.00 0.00 54.58 50.27 1i4n n ASN 29 Cb 0.52 -0.47 -0.05 0.00 -0.53 0.00 0.00 39.78 39.25 1i4n n ASN 29 CO 0.00 0.00 0.00 1.41 1.40 0.00 0.00 177.26 180.07 1i4n n HIS 30 N -0.38 -1.50 -0.15 1.20 8.25 -0.87 -4.89 115.22 116.88 1i4n n HIS 30 Ca 0.30 0.70 -0.12 0.00 -0.26 0.00 0.00 57.72 58.34 1i4n n HIS 30 Cb 0.73 -3.30 -0.01 0.00 1.12 0.00 0.00 29.99 28.54 1i4n n HIS 30 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1i4n h ARG 31 N -1.77 0.96 -0.64 -0.41 2.47 -1.89 -2.19 114.38 110.91 1i4n h ARG 31 Ca -0.64 -0.42 0.03 0.00 -1.26 0.00 0.00 59.98 57.70 1i4n h ARG 31 Cb 1.39 -0.03 -0.04 0.00 -1.65 0.00 0.00 29.97 29.63 1i4n h ARG 31 CO 0.67 1.08 0.39 0.35 0.56 0.00 0.00 179.97 183.03 1i4n h PHE 32 N 0.81 0.74 -0.33 3.04 3.04 -1.90 -2.27 116.94 120.06 1i4n h PHE 32 Ca 0.10 0.02 -0.16 0.00 3.98 0.00 0.00 57.97 61.92 1i4n h PHE 32 Cb 0.79 -0.24 -0.01 0.00 2.56 0.00 0.00 35.95 39.06 1i4n h PHE 32 CO 0.05 0.41 -0.42 1.25 -2.02 0.00 0.00 178.31 177.59 1i4n h LEU 33 N 0.77 0.90 -0.58 0.59 5.85 -1.92 -3.02 115.31 117.90 1i4n h LEU 33 Ca 0.26 -0.43 -0.05 0.00 0.84 0.00 0.00 57.88 58.50 1i4n h LEU 33 Cb 0.04 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.79 1i4n h LEU 33 CO -0.11 1.20 0.16 -0.08 -0.34 0.00 0.00 178.44 179.27 1i4n h GLU 34 N 0.68 0.91 -0.35 1.25 4.81 -1.07 -2.83 114.58 117.98 1i4n h GLU 34 Ca 0.05 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 58.96 1i4n h GLU 34 Cb 1.00 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 30.24 1i4n h GLU 34 CO 0.10 0.84 -0.21 0.28 -0.73 0.00 0.00 179.01 179.28 1i4n h VAL 35 N 0.82 1.27 -0.00 0.32 2.07 -1.47 -3.08 116.25 116.18 1i4n h VAL 35 Ca 0.18 -1.28 0.00 0.00 0.82 0.00 0.00 66.70 66.42 1i4n h VAL 35 Cb 0.32 1.23 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1i4n h VAL 35 CO -0.00 0.42 -0.03 0.18 0.02 0.00 0.00 177.57 178.16 1i4n n LEU 36 N -4.12 0.04 -4.66 2.57 4.32 -1.14 -4.94 117.00 109.07 1i4n n LEU 36 Ca 0.00 0.42 -0.45 0.00 -0.02 0.00 0.00 56.01 55.96 1i4n n LEU 36 Cb 0.41 -0.44 -0.02 0.00 -1.62 0.00 0.00 43.42 41.75 1i4n n LEU 36 CO 0.43 0.01 0.92 -1.20 -1.22 0.00 0.00 177.39 176.33 1i4n n SER 37 N -1.45 2.46 0.00 -1.43 7.64 -1.08 -4.88 113.62 114.89 1i4n n SER 37 Ca 0.08 1.16 0.00 0.00 1.01 0.00 0.00 58.87 61.12 1i4n n SER 37 Cb 0.32 -1.40 0.00 0.00 -1.01 0.00 0.00 64.21 62.12 1i4n n SER 37 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i4n n GLY 38 N 1.77 -0.74 0.18 0.23 0.00 -1.26 -4.90 105.19 100.47 1i4n n GLY 38 Ca 0.10 -1.67 0.08 0.00 0.00 0.00 0.00 46.02 44.53 1i4n n GLY 38 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i4n n LYS 39 N -0.74 0.99 0.21 1.61 5.02 -1.26 -4.71 118.16 119.28 1i4n n LYS 39 Ca 0.00 -2.23 0.14 0.00 -2.02 0.00 0.00 58.31 54.20 1i4n n LYS 39 Cb 0.00 -1.27 0.43 0.00 -0.02 0.00 0.00 35.03 34.17 1i4n n LYS 39 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1i4n h GLU 40 N 0.02 0.00 -2.54 1.97 3.07 -1.93 -3.36 114.58 111.81 1i4n h GLU 40 Ca -0.00 0.00 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 1i4n h GLU 40 Cb 1.09 0.00 -0.19 0.00 -0.84 0.00 0.00 28.75 28.81 1i4n h GLU 40 CO 0.00 0.00 -0.04 0.50 -1.40 0.00 0.00 179.01 178.07 1i4n s ARG 41 N -3.37 0.87 -0.40 2.33 3.52 -1.26 -4.89 118.95 115.75 1i4n s ARG 41 Ca 0.05 0.01 -0.22 0.00 -0.13 0.00 0.00 55.73 55.44 1i4n s ARG 41 Cb 0.08 0.40 0.01 0.00 -1.56 0.00 0.00 34.95 33.88 1i4n s ARG 41 CO 0.58 -0.26 0.74 0.08 -0.81 0.00 0.00 175.30 175.63 1i4n s VAL 42 N -1.33 4.74 0.45 7.11 1.01 -0.79 -4.81 120.40 126.78 1i4n s VAL 42 Ca -0.12 0.59 -0.20 0.00 0.00 0.00 0.00 61.98 62.25 1i4n s VAL 42 Cb -0.03 -4.22 -0.10 0.00 0.00 0.00 0.00 36.38 32.03 1i4n s VAL 42 CO 0.07 -0.52 0.96 -0.54 0.00 0.00 0.00 175.10 175.07 1i4n s LYS 43 N 3.06 4.15 -0.20 2.72 3.01 -1.02 -4.84 119.74 126.63 1i4n s LYS 43 Ca 0.29 1.12 -0.07 0.00 -1.01 0.00 0.00 55.97 56.30 1i4n s LYS 43 Cb -0.13 -2.17 -0.03 0.00 -1.01 0.00 0.00 37.83 34.49 1i4n s LYS 43 CO 0.19 -0.10 0.04 0.42 0.51 0.00 0.00 175.35 176.41 1i4n s ILE 44 N -2.22 4.46 -0.33 2.17 1.01 -1.26 -1.52 121.20 123.51 1i4n s ILE 44 Ca 0.62 -0.14 -0.04 0.00 0.00 0.00 0.00 60.65 61.09 1i4n s ILE 44 Cb -0.10 -3.02 0.05 0.00 0.01 0.00 0.00 42.46 39.40 1i4n s ILE 44 CO 0.16 0.43 0.07 -0.63 0.00 0.00 0.00 174.94 174.97 1i4n s ILE 45 N 0.75 3.37 -0.11 2.92 1.01 -0.32 -1.94 121.20 126.89 1i4n s ILE 45 Ca 0.02 -1.36 -0.18 0.00 0.00 0.00 0.00 60.65 59.13 1i4n s ILE 45 Cb -0.14 -2.98 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1i4n s ILE 45 CO 0.02 -0.22 0.46 0.00 0.00 0.00 0.00 174.94 175.21 1i4n s ALA 46 N 1.30 3.50 -0.09 9.38 0.00 -0.82 -1.82 121.76 133.20 1i4n s ALA 46 Ca -0.02 -0.21 -0.02 0.00 0.00 0.00 0.00 51.96 51.71 1i4n s ALA 46 Cb -0.20 -2.62 -0.03 0.00 0.00 0.00 0.00 23.12 20.27 1i4n s ALA 46 CO 0.00 0.04 0.01 -2.00 0.00 0.00 0.00 175.76 173.81 1i4n s GLU 47 N 0.50 3.05 -0.29 0.00 2.12 -0.18 -1.12 118.70 122.79 1i4n s GLU 47 Ca 0.25 -0.40 -0.07 0.00 0.36 0.00 0.00 54.97 55.12 1i4n s GLU 47 Cb -0.15 -2.82 0.00 0.00 0.26 0.00 0.00 34.13 31.42 1i4n s GLU 47 CO 0.10 0.68 0.07 0.12 -0.54 0.00 0.00 175.26 175.69 1i4n s PHE 48 N -0.80 3.13 -0.18 5.30 5.36 -0.05 -4.63 117.98 126.11 1i4n s PHE 48 Ca 0.12 -0.93 -0.07 0.00 -0.96 0.00 0.00 56.93 55.09 1i4n s PHE 48 Cb -0.11 -2.24 0.08 0.00 -0.34 0.00 0.00 43.02 40.41 1i4n s PHE 48 CO 0.02 -0.56 0.39 -1.59 -1.46 0.00 0.00 175.22 172.03 1i4n s LYS 49 N 1.51 0.30 0.30 10.12 -2.85 -1.26 -3.14 119.74 124.71 1i4n s LYS 49 Ca 0.03 0.95 0.16 0.00 -1.00 0.00 0.00 55.97 56.11 1i4n s LYS 49 Cb -0.17 0.23 0.27 0.00 -2.06 0.00 0.00 37.83 36.09 1i4n s LYS 49 CO 0.02 -0.24 1.53 0.87 0.10 0.00 0.00 175.35 177.63 1i4n h LYS 50 N 8.03 0.00 -3.61 1.78 1.57 -1.83 -3.43 116.57 119.09 1i4n h LYS 50 Ca -0.19 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.54 1i4n h LYS 50 Cb 1.12 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.34 1i4n h LYS 50 CO 0.15 0.51 -0.11 0.00 -0.57 0.00 0.00 179.45 179.43 1i4n s ALA 51 N -3.17 -0.33 0.07 3.86 0.00 -1.16 -1.71 121.76 119.33 1i4n s ALA 51 Ca 0.02 -0.79 -0.23 0.00 0.00 0.00 0.00 51.96 50.97 1i4n s ALA 51 Cb 0.09 1.02 0.06 0.00 0.00 0.00 0.00 23.12 24.29 1i4n s ALA 51 CO 0.73 -0.83 0.55 -1.54 0.00 0.00 0.00 175.76 174.67 1i4n s SER 52 N -2.99 -0.48 0.30 0.00 1.04 -0.68 -4.35 113.70 106.53 1i4n s SER 52 Ca 0.20 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.79 1i4n s SER 52 Cb -0.00 0.52 0.49 0.00 0.10 0.00 0.00 66.02 67.13 1i4n s SER 52 CO 0.07 -0.79 1.86 1.55 0.98 0.00 0.00 173.24 176.91 1i4n h PRO 53 N 2.56 0.74 -0.01 4.02 0.13 -1.88 -1.84 132.00 135.73 1i4n h PRO 53 Ca -0.32 -0.14 0.02 0.00 -0.87 0.00 0.00 66.00 64.69 1i4n h PRO 53 Cb 1.23 -0.12 -0.05 0.00 0.13 0.00 0.00 31.00 32.20 1i4n h PRO 53 CO 0.41 0.67 -0.45 1.03 -0.23 0.00 0.00 178.00 179.42 1i4n h SER 54 N 0.72 -1.40 0.00 1.44 0.87 -1.97 -3.39 113.55 109.82 1i4n h SER 54 Ca 0.16 0.16 0.00 0.00 -1.23 0.00 0.00 61.79 60.88 1i4n h SER 54 Cb 0.25 0.53 0.00 0.00 -0.44 0.00 0.00 62.40 62.75 1i4n h SER 54 CO -0.00 -0.44 0.00 0.00 -0.53 0.00 0.00 176.83 175.85 1i4n n ALA 55 N -2.90 0.50 0.00 6.23 0.00 -1.23 -5.13 120.51 117.99 1i4n n ALA 55 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1i4n n ALA 55 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1i4n n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i4n n GLY 56 N 3.04 -0.52 3.61 0.00 0.00 -0.69 -4.92 105.19 105.70 1i4n n GLY 56 Ca 0.00 0.14 -0.44 0.00 0.00 0.00 0.00 46.02 45.72 1i4n n GLY 56 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i4n n ASP 57 N 0.00 3.40 -0.10 1.61 10.43 -1.26 -1.69 116.55 128.94 1i4n n ASP 57 Ca 0.00 0.44 -0.14 0.00 2.57 0.00 0.00 54.79 57.67 1i4n n ASP 57 Cb 0.00 -1.51 -0.05 0.00 1.84 0.00 0.00 41.12 41.40 1i4n n ASP 57 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 1i4n n ILE 58 N 6.99 1.48 -3.24 0.53 5.41 -0.69 -4.88 119.36 124.96 1i4n n ILE 58 Ca 0.28 0.04 -0.17 0.00 1.00 0.00 0.00 62.75 63.90 1i4n n ILE 58 Cb 0.41 -2.23 -0.06 0.00 -0.71 0.00 0.00 39.64 37.05 1i4n n ILE 58 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1i4n s ASN 59 N -6.30 0.66 0.39 4.38 3.84 -1.02 -4.84 114.94 112.05 1i4n s ASN 59 Ca -0.26 -2.08 0.08 0.00 0.21 0.00 0.00 52.86 50.81 1i4n s ASN 59 Cb 0.06 0.55 0.81 0.00 -0.55 0.00 0.00 41.25 42.11 1i4n s ASN 59 CO 0.40 -0.18 1.97 0.00 -2.79 0.00 0.00 177.10 176.49 1i4n h ALA 60 N 6.17 1.58 -0.50 1.71 0.00 -1.90 -3.10 119.26 123.21 1i4n h ALA 60 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1i4n h ALA 60 Cb 1.02 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1i4n h ALA 60 CO 0.21 0.32 0.00 -0.25 0.00 0.00 0.00 179.25 179.53 1i4n n ASP 61 N -4.36 3.34 -4.71 0.00 8.00 -1.26 -5.00 116.55 112.56 1i4n n ASP 61 Ca 0.01 -1.97 -0.43 0.00 0.71 0.00 0.00 54.79 53.10 1i4n n ASP 61 Cb 0.19 -0.33 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1i4n n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1i4n n ALA 62 N 1.36 1.89 -2.64 2.24 0.00 -1.17 -4.98 120.51 117.21 1i4n n ALA 62 Ca 0.20 0.40 -0.39 0.00 0.00 0.00 0.00 53.44 53.66 1i4n n ALA 62 Cb 0.56 -2.38 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 1i4n n ALA 62 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i4n s SER 63 N 0.51 6.84 0.20 0.00 0.15 -1.26 -4.97 113.70 115.16 1i4n s SER 63 Ca 0.68 1.00 0.01 0.00 0.70 0.00 0.00 55.95 58.34 1i4n s SER 63 Cb -0.57 -2.33 0.13 0.00 -1.71 0.00 0.00 66.02 61.53 1i4n s SER 63 CO 0.47 0.02 1.48 0.17 1.20 0.00 0.00 173.24 176.58 1i4n h LEU 64 N 6.31 0.40 -0.52 3.45 8.10 -1.99 -2.77 115.31 128.28 1i4n h LEU 64 Ca -0.43 -0.25 -0.04 0.00 0.11 0.00 0.00 57.88 57.27 1i4n h LEU 64 Cb 1.19 -0.12 -0.02 0.00 -0.44 0.00 0.00 40.66 41.27 1i4n h LEU 64 CO 0.73 0.96 0.18 -0.08 -4.11 0.00 0.00 178.44 176.12 1i4n h GLU 65 N 0.24 0.79 -0.46 0.17 4.81 -1.99 0.35 114.58 118.50 1i4n h GLU 65 Ca -0.02 -0.16 -0.09 0.00 -0.13 0.00 0.00 59.36 58.96 1i4n h GLU 65 Cb 1.23 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 30.47 1i4n h GLU 65 CO 0.11 0.72 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.62 1i4n h ASP 66 N 0.71 0.84 -0.35 1.04 3.32 -1.98 -2.68 116.42 117.32 1i4n h ASP 66 Ca 0.17 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 56.78 1i4n h ASP 66 Cb 0.25 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 1i4n h ASP 66 CO -0.01 0.98 -0.18 -0.26 -1.72 0.00 0.00 179.24 178.05 1i4n h PHE 67 N 0.69 0.85 -0.55 4.55 -1.00 -1.32 -2.86 116.94 117.29 1i4n h PHE 67 Ca 0.12 -0.21 -0.06 0.00 2.81 0.00 0.00 57.97 60.63 1i4n h PHE 67 Cb 0.58 -0.20 -0.02 0.00 3.61 0.00 0.00 35.95 39.92 1i4n h PHE 67 CO 0.04 0.94 0.12 0.82 -1.61 0.00 0.00 178.31 178.62 1i4n h ILE 68 N 0.52 1.25 0.00 -0.55 1.08 -0.94 0.11 117.51 118.98 1i4n h ILE 68 Ca 0.08 -0.91 -0.07 0.00 -0.39 0.00 0.00 64.86 63.57 1i4n h ILE 68 Cb 0.72 0.78 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1i4n h ILE 68 CO 0.05 0.33 -0.33 0.08 -0.69 0.00 0.00 178.15 177.60 1i4n h ARG 69 N 0.79 0.00 -0.11 2.37 0.11 -1.54 0.18 114.38 116.19 1i4n h ARG 69 Ca 0.17 0.00 -0.16 0.00 0.10 0.00 0.00 59.98 60.09 1i4n h ARG 69 Cb 0.37 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.45 1i4n h ARG 69 CO 0.00 0.33 -0.57 1.98 0.10 0.00 0.00 179.97 181.81 1i4n h MET 70 N 0.00 0.58 -0.06 0.08 4.05 -1.25 -2.92 114.93 115.41 1i4n h MET 70 Ca -0.00 -0.48 -0.07 0.00 -0.28 0.00 0.00 59.70 58.87 1i4n h MET 70 Cb 0.69 0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 31.58 1i4n h MET 70 CO 0.04 1.10 -0.28 1.88 0.23 0.00 0.00 176.91 179.88 1i4n h TYR 71 N 0.20 0.11 -0.11 1.39 0.99 -0.66 -1.72 116.97 117.18 1i4n h TYR 71 Ca -0.04 -0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.58 1i4n h TYR 71 Cb 1.22 -0.03 -0.01 0.00 1.00 0.00 0.00 36.73 38.91 1i4n h TYR 71 CO 0.11 0.38 -0.36 0.22 -0.00 0.00 0.00 178.16 178.51 1i4n h ASP 72 N 0.09 0.22 0.18 3.88 3.58 -0.95 0.73 116.42 124.15 1i4n h ASP 72 Ca 0.01 -0.08 -0.29 0.00 0.42 0.00 0.00 57.03 57.09 1i4n h ASP 72 Cb 0.55 -0.06 0.02 0.00 1.72 0.00 0.00 39.33 41.56 1i4n h ASP 72 CO 0.04 0.57 -1.35 -0.08 -2.88 0.00 0.00 179.24 175.53 1i4n h GLU 73 N 0.19 0.38 0.00 0.28 4.81 -1.22 -3.41 114.58 115.60 1i4n h GLU 73 Ca 0.02 -0.66 0.00 0.00 -0.13 0.00 0.00 59.36 58.60 1i4n h GLU 73 Cb 0.73 0.24 0.00 0.00 0.63 0.00 0.00 28.75 30.35 1i4n h GLU 73 CO 0.05 1.31 -1.18 1.28 -0.73 0.00 0.00 179.01 179.75 1i4n n LEU 74 N -3.84 0.39 -4.62 1.64 4.77 -0.70 -5.04 117.00 109.60 1i4n n LEU 74 Ca -0.20 -0.27 -0.24 0.00 -0.03 0.00 0.00 56.01 55.27 1i4n n LEU 74 Cb 0.98 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.99 1i4n n LEU 74 CO 0.51 0.10 -0.35 0.00 -1.33 0.00 0.00 177.39 176.32 1i4n s ALA 75 N -2.75 3.11 0.08 -1.18 0.00 0.25 -4.97 121.76 116.29 1i4n s ALA 75 Ca 0.00 -1.60 0.06 0.00 0.00 0.00 0.00 51.96 50.42 1i4n s ALA 75 Cb 0.11 -0.76 -0.23 0.00 0.00 0.00 0.00 23.12 22.24 1i4n s ALA 75 CO 0.64 0.32 1.13 -0.44 0.00 0.00 0.00 175.76 177.42 1i4n h ASP 76 N 2.17 0.08 -5.09 0.00 3.32 -1.64 -3.44 116.42 111.82 1i4n h ASP 76 Ca -0.45 -0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.46 1i4n h ASP 76 Cb 1.24 -0.03 -0.12 0.00 0.22 0.00 0.00 39.33 40.64 1i4n h ASP 76 CO 0.59 1.08 -0.06 0.00 -1.72 0.00 0.00 179.24 179.12 1i4n s ALA 77 N -2.68 -0.88 0.01 3.45 0.00 -1.03 -4.53 121.76 116.11 1i4n s ALA 77 Ca -0.01 -0.13 0.07 0.00 0.00 0.00 0.00 51.96 51.89 1i4n s ALA 77 Cb 0.09 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.93 1i4n s ALA 77 CO 0.83 -0.68 -0.21 0.42 0.00 0.00 0.00 175.76 176.12 1i4n s ILE 78 N -3.83 1.68 -0.15 0.00 1.01 -0.64 -1.95 121.20 117.31 1i4n s ILE 78 Ca 0.05 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.66 1i4n s ILE 78 Cb 0.01 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.06 1i4n s ILE 78 CO -0.09 0.35 -0.15 -0.55 0.00 0.00 0.00 174.94 174.50 1i4n s SER 79 N -0.81 3.67 -0.15 3.58 0.15 -0.27 -0.57 113.70 119.30 1i4n s SER 79 Ca 0.08 -0.46 0.00 0.00 0.70 0.00 0.00 55.95 56.27 1i4n s SER 79 Cb -0.08 -1.56 0.02 0.00 -1.71 0.00 0.00 66.02 62.69 1i4n s SER 79 CO 0.00 0.09 -0.14 -0.63 1.20 0.00 0.00 173.24 173.76 1i4n s ILE 80 N 0.76 1.59 0.06 6.45 1.01 -0.23 -0.87 121.20 129.97 1i4n s ILE 80 Ca -0.06 -0.64 -0.31 0.00 0.00 0.00 0.00 60.65 59.64 1i4n s ILE 80 Cb -0.15 -1.48 -0.06 0.00 0.01 0.00 0.00 42.46 40.77 1i4n s ILE 80 CO 0.01 0.46 1.31 -0.76 0.00 0.00 0.00 174.94 175.96 1i4n s LEU 81 N 1.47 4.35 0.00 2.97 2.01 -1.19 -1.61 118.68 126.68 1i4n s LEU 81 Ca 0.05 2.13 0.07 0.00 0.01 0.00 0.00 54.13 56.39 1i4n s LEU 81 Cb -0.13 -3.58 0.10 0.00 0.01 0.00 0.00 46.19 42.59 1i4n s LEU 81 CO -0.11 -0.60 0.85 0.35 1.01 0.00 0.00 176.35 177.85 1i4n n THR 82 N 4.15 0.26 -2.48 5.49 -2.24 -0.66 -3.75 114.28 115.05 1i4n n THR 82 Ca 0.11 -0.63 -0.42 0.00 -2.27 0.00 0.00 64.05 60.84 1i4n n THR 82 Cb 0.44 0.99 -0.03 0.00 -2.10 0.00 0.00 70.33 69.63 1i4n n THR 82 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1i4n s GLU 83 N -0.72 4.47 -0.11 -0.78 -6.30 -1.26 -3.81 118.70 110.18 1i4n s GLU 83 Ca 0.11 1.70 -0.13 0.00 -2.50 0.00 0.00 54.97 54.14 1i4n s GLU 83 Cb 0.07 -3.36 -0.27 0.00 0.00 0.00 0.00 34.13 30.57 1i4n s GLU 83 CO 0.10 -0.20 0.48 -0.22 0.02 0.00 0.00 175.26 175.44 1i4n h LYS 84 N 6.70 0.24 -0.06 4.30 3.64 -1.93 0.30 116.57 129.76 1i4n h LYS 84 Ca -0.42 -0.42 -0.23 0.00 -1.27 0.00 0.00 60.65 58.32 1i4n h LYS 84 Cb 1.22 0.16 0.01 0.00 -0.41 0.00 0.00 32.23 33.20 1i4n h LYS 84 CO 0.79 1.20 -0.88 0.45 -2.27 0.00 0.00 179.45 178.75 1i4n h HIS 85 N -0.22 0.85 0.00 1.91 3.86 -1.93 -3.00 115.15 116.62 1i4n h HIS 85 Ca -0.35 -0.42 -0.26 0.00 -1.16 0.00 0.00 60.37 58.18 1i4n h HIS 85 Cb 1.83 -0.11 -0.05 0.00 1.06 0.00 0.00 27.41 30.14 1i4n h HIS 85 CO 0.11 1.24 -2.00 0.66 0.86 0.00 0.00 177.93 178.80 1i4n n TYR 86 N -3.85 0.00 0.49 2.45 4.01 -1.26 -4.60 117.16 114.41 1i4n n TYR 86 Ca -0.08 0.00 0.10 0.00 -0.16 0.00 0.00 57.90 57.77 1i4n n TYR 86 Cb 0.80 -0.71 -0.14 0.00 -0.31 0.00 0.00 39.34 38.98 1i4n n TYR 86 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1i4n n PHE 87 N -2.60 0.00 -2.67 -0.72 3.72 -1.25 -3.50 117.46 110.43 1i4n n PHE 87 Ca -0.25 0.00 -0.16 0.00 -0.05 0.00 0.00 57.45 56.99 1i4n n PHE 87 Cb 0.95 -0.23 0.02 0.00 -0.94 0.00 0.00 39.48 39.28 1i4n n PHE 87 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1i4n n LYS 88 N -1.84 -2.97 -1.69 -1.08 5.02 -1.13 -2.97 118.16 111.50 1i4n n LYS 88 Ca 0.00 0.68 -0.06 0.00 -2.02 0.00 0.00 58.31 56.92 1i4n n LYS 88 Cb 0.43 -5.03 0.01 0.00 -0.02 0.00 0.00 35.03 30.42 1i4n n LYS 88 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1i4n n GLY 89 N -1.24 2.18 3.55 0.72 0.00 0.08 -4.87 105.19 105.62 1i4n n GLY 89 Ca -0.11 -2.17 -0.15 0.00 0.00 0.00 0.00 46.02 43.60 1i4n n GLY 89 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i4n s ASP 90 N -1.98 -0.56 0.61 1.61 -1.08 -1.25 -3.66 116.67 110.37 1i4n s ASP 90 Ca 0.15 0.68 0.37 0.00 -0.52 0.00 0.00 52.55 53.24 1i4n s ASP 90 Cb -0.01 0.55 2.01 0.00 -1.46 0.00 0.00 42.92 44.01 1i4n s ASP 90 CO 0.10 -0.47 2.25 -0.65 0.52 0.00 0.00 175.17 176.92 1i4n h PRO 91 N 3.08 0.00 0.00 4.34 0.11 -1.90 -2.66 132.00 134.96 1i4n h PRO 91 Ca -0.24 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.80 1i4n h PRO 91 Cb 1.15 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 1i4n h PRO 91 CO 0.32 0.02 -0.30 0.00 -0.21 0.00 0.00 178.00 177.83 1i4n h ALA 92 N 1.98 1.39 -0.75 -0.75 0.00 -1.96 -2.78 119.26 116.38 1i4n h ALA 92 Ca -0.00 -0.27 0.10 0.00 0.00 0.00 0.00 54.91 54.74 1i4n h ALA 92 Cb 0.13 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1i4n h ALA 92 CO 0.00 0.38 0.49 0.74 0.00 0.00 0.00 179.25 180.86 1i4n h PHE 93 N 0.00 0.68 -0.20 0.00 0.05 -1.87 0.18 116.94 115.78 1i4n h PHE 93 Ca -0.00 0.02 -0.17 0.00 3.82 0.00 0.00 57.97 61.63 1i4n h PHE 93 Cb 0.57 -0.22 -0.00 0.00 2.00 0.00 0.00 35.95 38.30 1i4n h PHE 93 CO 0.00 0.31 -0.57 0.28 -0.18 0.00 0.00 178.31 178.15 1i4n h VAL 94 N 0.63 1.31 -0.29 -0.55 2.07 -1.67 -1.54 116.25 116.20 1i4n h VAL 94 Ca 0.35 -1.82 -0.03 0.00 0.82 0.00 0.00 66.70 66.02 1i4n h VAL 94 Cb 0.51 1.78 -0.01 0.00 -1.52 0.00 0.00 31.29 32.05 1i4n h VAL 94 CO -0.13 0.57 0.07 -0.09 0.02 0.00 0.00 177.57 178.02 1i4n h ARG 95 N 0.47 0.47 -0.77 1.57 2.43 -0.89 -0.63 114.38 117.02 1i4n h ARG 95 Ca 0.00 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.03 1i4n h ARG 95 Cb 1.14 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.59 1i4n h ARG 95 CO 0.11 0.54 0.36 0.00 -1.51 0.00 0.00 179.97 179.48 1i4n h ALA 96 N 0.90 1.00 0.00 2.80 0.00 -0.76 -3.01 119.26 120.19 1i4n h ALA 96 Ca 0.09 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1i4n h ALA 96 Cb 0.28 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1i4n h ALA 96 CO 0.00 0.57 -0.48 0.00 0.00 0.00 0.00 179.25 179.33 1i4n h ALA 97 N 1.19 0.76 -0.73 0.00 0.00 -1.20 -3.34 119.26 115.93 1i4n h ALA 97 Ca 0.26 -0.44 0.12 0.00 0.00 0.00 0.00 54.91 54.85 1i4n h ALA 97 Cb 0.13 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 1i4n h ALA 97 CO -0.03 0.61 0.48 -0.09 0.00 0.00 0.00 179.25 180.22 1i4n h ARG 98 N 0.00 0.51 0.00 0.00 9.65 -0.96 -1.48 114.38 122.09 1i4n h ARG 98 Ca -0.00 -0.03 0.00 0.00 -1.10 0.00 0.00 59.98 58.84 1i4n h ARG 98 Cb 1.25 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 29.71 1i4n h ARG 98 CO 0.06 0.33 -0.01 -0.91 2.80 0.00 0.00 179.97 182.24 1i4n h ASN 99 N 0.52 0.00 0.88 -3.80 -0.26 -1.71 -3.29 115.58 107.93 1i4n h ASN 99 Ca 0.35 -0.00 0.00 0.00 -0.56 0.00 0.00 56.30 56.08 1i4n h ASN 99 Cb 0.63 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.89 1i4n h ASN 99 CO -0.12 0.00 -0.44 0.18 -1.06 0.00 0.00 177.43 175.99 1i4n n LEU 100 N -2.62 0.59 -3.72 1.61 4.32 -0.56 -4.95 117.00 111.67 1i4n n LEU 100 Ca 0.05 0.26 -0.14 0.00 -0.02 0.00 0.00 56.01 56.15 1i4n n LEU 100 Cb 0.47 -0.25 -0.08 0.00 -1.62 0.00 0.00 43.42 41.94 1i4n n LEU 100 CO 0.32 -0.03 0.10 0.28 -1.22 0.00 0.00 177.39 176.84 1i4n s THR 101 N -3.10 0.05 -1.42 -5.08 -1.32 -1.18 -4.88 115.64 98.70 1i4n s THR 101 Ca 0.09 -0.39 0.15 0.00 -1.21 0.00 0.00 61.69 60.32 1i4n s THR 101 Cb 0.15 -0.69 0.35 0.00 -1.51 0.00 0.00 72.50 70.79 1i4n s THR 101 CO 0.68 -0.22 1.27 0.00 -2.21 0.00 0.00 174.62 174.14 1i4n s ARG 103 N -1.06 4.31 0.26 0.00 0.52 -1.26 -4.99 118.95 116.73 1i4n s ARG 103 Ca 0.29 1.41 -0.31 0.00 -0.52 0.00 0.00 55.73 56.60 1i4n s ARG 103 Cb 0.16 -2.59 -0.13 0.00 0.52 0.00 0.00 34.95 32.91 1i4n s ARG 103 CO 0.21 0.01 1.48 -2.30 0.02 0.00 0.00 175.30 174.73 1i4n n PRO 104 N 0.08 2.29 -4.76 3.54 -0.02 -1.26 -4.80 135.00 130.06 1i4n n PRO 104 Ca 0.04 0.81 -0.33 0.00 -2.02 0.00 0.00 63.50 62.01 1i4n n PRO 104 Cb 0.50 -2.52 -0.15 0.00 -0.02 0.00 0.00 33.50 31.32 1i4n n PRO 104 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1i4n s ILE 105 N -0.01 2.99 -0.25 4.25 1.01 -1.26 -1.63 121.20 126.30 1i4n s ILE 105 Ca 0.67 -0.68 -0.11 0.00 0.00 0.00 0.00 60.65 60.53 1i4n s ILE 105 Cb -0.59 -2.25 -0.05 0.00 0.01 0.00 0.00 42.46 39.58 1i4n s ILE 105 CO 0.49 0.52 0.19 -0.22 0.00 0.00 0.00 174.94 175.92 1i4n s LEU 106 N 0.40 4.08 -0.92 2.97 2.96 0.27 -0.48 118.68 127.96 1i4n s LEU 106 Ca -0.11 0.10 -0.17 0.00 -0.22 0.00 0.00 54.13 53.73 1i4n s LEU 106 Cb -0.16 -2.14 0.16 0.00 0.50 0.00 0.00 46.19 44.55 1i4n s LEU 106 CO 0.05 0.01 1.05 0.00 -1.32 0.00 0.00 176.35 176.14 1i4n s ALA 107 N 1.34 3.63 -0.21 5.97 0.00 -0.51 -1.06 121.76 130.91 1i4n s ALA 107 Ca 0.08 -2.98 -0.29 0.00 0.00 0.00 0.00 51.96 48.78 1i4n s ALA 107 Cb -0.14 -3.90 -0.03 0.00 0.00 0.00 0.00 23.12 19.05 1i4n s ALA 107 CO 0.07 -2.77 1.60 0.21 0.00 0.00 0.00 175.76 174.87 1i4n s LYS 108 N 1.86 3.83 0.32 0.00 2.47 -0.64 -4.31 119.74 123.27 1i4n s LYS 108 Ca 0.29 1.68 -0.18 0.00 -1.56 0.00 0.00 55.97 56.20 1i4n s LYS 108 Cb -0.06 -4.02 0.05 0.00 -1.46 0.00 0.00 37.83 32.33 1i4n s LYS 108 CO -0.09 -1.25 0.80 0.34 0.16 0.00 0.00 175.35 175.31 1i4n s ASP 109 N 4.08 -0.09 -0.72 1.43 3.68 -1.26 -1.65 116.67 122.14 1i4n s ASP 109 Ca 0.71 -0.89 -0.17 0.00 2.13 0.00 0.00 52.55 54.32 1i4n s ASP 109 Cb -0.25 0.76 0.14 0.00 -1.45 0.00 0.00 42.92 42.12 1i4n s ASP 109 CO 0.29 -1.48 0.80 -0.36 0.13 0.00 0.00 175.17 174.55 1i4n s PHE 110 N -2.87 3.23 -0.26 -5.34 0.40 -1.26 -4.70 117.98 107.18 1i4n s PHE 110 Ca 0.14 -1.33 -0.27 0.00 -0.60 0.00 0.00 56.93 54.88 1i4n s PHE 110 Cb -0.05 -4.01 0.01 0.00 0.51 0.00 0.00 43.02 39.47 1i4n s PHE 110 CO 0.09 -1.25 0.94 0.71 0.70 0.00 0.00 175.22 176.42 1i4n s TYR 111 N 2.00 3.28 0.00 0.36 1.51 -1.26 -4.90 117.35 118.34 1i4n s TYR 111 Ca 0.17 1.23 0.00 0.00 -1.01 0.00 0.00 57.07 57.46 1i4n s TYR 111 Cb -0.17 -3.26 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1i4n s TYR 111 CO -0.01 -0.51 0.02 0.44 -1.11 0.00 0.00 175.55 174.38 1i4n n ILE 112 N 5.42 0.00 -3.89 2.71 -5.35 -1.26 -4.80 119.36 112.19 1i4n n ILE 112 Ca 0.09 -0.26 -0.11 0.00 -0.27 0.00 0.00 62.75 62.19 1i4n n ILE 112 Cb 0.47 1.04 -0.12 0.00 -1.74 0.00 0.00 39.64 39.29 1i4n n ILE 112 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 1i4n s ASP 113 N -0.48 0.04 0.60 7.28 -1.08 -1.26 -5.05 116.67 116.72 1i4n s ASP 113 Ca 0.00 -0.12 0.32 0.00 -0.52 0.00 0.00 52.55 52.23 1i4n s ASP 113 Cb 0.00 0.13 1.87 0.00 -1.46 0.00 0.00 42.92 43.47 1i4n s ASP 113 CO 0.00 -0.17 2.23 0.71 0.52 0.00 0.00 175.17 178.47 1i4n h THR 114 N 4.79 0.43 -0.73 1.71 1.35 -1.97 -1.95 112.91 116.54 1i4n h THR 114 Ca -0.28 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.62 1i4n h THR 114 Cb 1.20 0.96 -0.04 0.00 -1.73 0.00 0.00 68.15 68.54 1i4n h THR 114 CO 0.44 0.00 0.48 1.62 -0.25 0.00 0.00 175.52 177.81 1i4n h VAL 115 N 0.00 1.11 0.00 6.82 3.04 -2.01 -1.51 116.25 123.70 1i4n h VAL 115 Ca 0.02 -0.30 -0.01 0.00 -1.01 0.00 0.00 66.70 65.40 1i4n h VAL 115 Cb 0.12 0.15 -0.00 0.00 -2.01 0.00 0.00 31.29 29.55 1i4n h VAL 115 CO -0.00 0.16 -0.05 1.56 -1.01 0.00 0.00 177.57 178.23 1i4n h GLN 116 N 0.88 0.00 0.00 4.17 4.20 -1.79 -1.11 115.11 121.47 1i4n h GLN 116 Ca 0.29 0.00 -0.07 0.00 0.06 0.00 0.00 58.65 58.93 1i4n h GLN 116 Cb 0.06 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.83 1i4n h GLN 116 CO -0.08 0.05 -0.37 -0.39 -0.67 0.00 0.00 178.83 177.37 1i4n h VAL 117 N 0.00 0.52 -0.08 -0.54 -1.51 -1.42 -2.71 116.25 110.51 1i4n h VAL 117 Ca -0.00 -1.74 -0.12 0.00 -1.23 0.00 0.00 66.70 63.61 1i4n h VAL 117 Cb 0.14 2.23 0.01 0.00 -2.13 0.00 0.00 31.29 31.54 1i4n h VAL 117 CO 0.01 0.29 -0.43 0.11 -1.23 0.00 0.00 177.57 176.32 1i4n h LYS 118 N 0.00 0.44 -0.59 5.19 1.57 -1.20 -1.38 116.57 120.61 1i4n h LYS 118 Ca -0.01 -0.36 0.03 0.00 -1.87 0.00 0.00 60.65 58.44 1i4n h LYS 118 Cb 1.24 0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.59 1i4n h LYS 118 CO 0.04 1.00 0.36 1.25 -0.57 0.00 0.00 179.45 181.52 1i4n h LEU 119 N -0.01 0.58 -0.65 2.94 5.85 -1.47 0.75 115.31 123.30 1i4n h LEU 119 Ca -0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1i4n h LEU 119 Cb 1.08 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.97 1i4n h LEU 119 CO 0.09 0.40 0.25 0.00 -0.34 0.00 0.00 178.44 178.84 1i4n h ALA 120 N 1.26 0.85 -0.07 1.25 0.00 -1.43 -2.54 119.26 118.58 1i4n h ALA 120 Ca 0.24 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 1i4n h ALA 120 Cb 0.03 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1i4n h ALA 120 CO -0.10 0.48 0.04 1.03 0.00 0.00 0.00 179.25 180.70 1i4n h SER 121 N 0.92 0.08 -0.03 0.00 0.87 -0.79 -2.72 113.55 111.88 1i4n h SER 121 Ca 0.22 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 1i4n h SER 121 Cb 0.23 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.17 1i4n h SER 121 CO -0.01 0.14 0.07 0.77 -0.53 0.00 0.00 176.83 177.26 1i4n h SER 122 N 0.02 0.00 -0.24 6.23 4.64 -0.47 -2.24 113.55 121.49 1i4n h SER 122 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1i4n h SER 122 Cb 0.07 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.16 1i4n h SER 122 CO -0.00 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.29 1i4n n VAL 123 N -3.36 0.29 -0.04 0.95 0.24 -0.99 -4.94 118.33 110.48 1i4n n VAL 123 Ca -0.02 -0.64 0.00 0.00 -2.04 0.00 0.00 64.34 61.64 1i4n n VAL 123 Cb 0.14 1.20 0.00 0.00 -1.47 0.00 0.00 33.84 33.71 1i4n n VAL 123 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1i4n n GLY 124 N 1.45 0.79 3.76 7.63 0.00 -0.84 -3.71 105.19 114.26 1i4n n GLY 124 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1i4n n GLY 124 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i4n s ALA 125 N -2.04 2.45 -0.29 4.61 0.00 -1.04 -4.89 121.76 120.56 1i4n s ALA 125 Ca 0.00 0.77 0.21 0.00 0.00 0.00 0.00 51.96 52.94 1i4n s ALA 125 Cb 0.00 -3.39 -0.30 0.00 0.00 0.00 0.00 23.12 19.43 1i4n s ALA 125 CO 0.00 -1.28 0.58 -0.25 0.00 0.00 0.00 175.76 174.81 1i4n n ASP 126 N -2.09 0.37 -3.68 0.00 9.92 0.37 -4.79 116.55 116.66 1i4n n ASP 126 Ca 0.12 -0.27 -0.14 0.00 -0.53 0.00 0.00 54.79 53.97 1i4n n ASP 126 Cb 0.51 1.70 -0.07 0.00 -0.64 0.00 0.00 41.12 42.62 1i4n n ASP 126 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1i4n s ALA 127 N -3.33 -1.03 0.51 2.24 0.00 -0.98 -1.93 121.76 117.24 1i4n s ALA 127 Ca -0.03 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.40 1i4n s ALA 127 Cb 0.14 0.18 0.00 0.00 0.00 0.00 0.00 23.12 23.45 1i4n s ALA 127 CO 0.87 -0.36 0.02 0.44 0.00 0.00 0.00 175.76 176.73 1i4n n ILE 128 N 0.87 0.00 -4.51 0.00 -5.35 -0.54 -1.42 119.36 108.41 1i4n n ILE 128 Ca -0.20 -2.40 -0.29 0.00 -0.27 0.00 0.00 62.75 59.60 1i4n n ILE 128 Cb 0.58 0.46 -0.17 0.00 -1.74 0.00 0.00 39.64 38.77 1i4n n ILE 128 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 1i4n s LEU 129 N 0.00 1.76 -0.40 7.28 2.96 -1.26 -2.14 118.68 126.88 1i4n s LEU 129 Ca 0.02 -0.44 -0.07 0.00 -0.22 0.00 0.00 54.13 53.42 1i4n s LEU 129 Cb -0.00 -1.11 0.08 0.00 0.50 0.00 0.00 46.19 45.66 1i4n s LEU 129 CO 0.01 0.03 0.21 -0.63 -1.32 0.00 0.00 176.35 174.65 1i4n s ILE 130 N 0.93 3.93 -0.79 6.68 1.01 -0.91 -4.24 121.20 127.80 1i4n s ILE 130 Ca -0.08 -1.47 -0.18 0.00 0.00 0.00 0.00 60.65 58.92 1i4n s ILE 130 Cb -0.15 -3.42 0.13 0.00 0.01 0.00 0.00 42.46 39.03 1i4n s ILE 130 CO -0.01 -0.47 0.93 -0.63 0.00 0.00 0.00 174.94 174.77 1i4n s ILE 131 N 1.36 4.87 0.23 2.92 1.01 -1.26 -0.16 121.20 130.18 1i4n s ILE 131 Ca 0.03 -1.45 -0.11 0.00 0.00 0.00 0.00 60.65 59.11 1i4n s ILE 131 Cb -0.22 -4.64 0.29 0.00 0.01 0.00 0.00 42.46 37.90 1i4n s ILE 131 CO 0.01 -1.32 1.61 0.00 0.00 0.00 0.00 174.94 175.25 1i4n h ALA 132 N 8.81 0.54 0.00 9.38 0.00 -1.88 -2.49 119.26 133.63 1i4n h ALA 132 Ca -0.02 0.27 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i4n h ALA 132 Cb 1.05 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1i4n h ALA 132 CO 1.05 -0.42 0.14 2.89 0.00 0.00 0.00 179.25 182.91 1i4n n ARG 133 N -5.45 0.04 -0.05 0.00 1.85 -1.26 -1.48 116.66 110.31 1i4n n ARG 133 Ca 0.11 0.47 0.03 0.00 -1.00 0.00 0.00 57.85 57.46 1i4n n ARG 133 Cb 0.39 -1.78 0.06 0.00 -1.05 0.00 0.00 32.46 30.08 1i4n n ARG 133 CO 0.00 0.00 0.00 0.44 -0.01 0.00 0.00 177.63 178.06 1i4n n ILE 134 N -1.68 0.52 -4.47 8.89 -5.35 -0.94 -5.03 119.36 111.31 1i4n n ILE 134 Ca -0.00 -0.76 -0.25 0.00 -0.27 0.00 0.00 62.75 61.46 1i4n n ILE 134 Cb 0.15 0.80 -0.13 0.00 -1.74 0.00 0.00 39.64 38.72 1i4n n ILE 134 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1i4n s LEU 135 N -0.78 2.24 0.58 7.28 1.43 -0.55 -5.10 118.68 123.79 1i4n s LEU 135 Ca 0.11 -0.62 -0.11 0.00 -1.03 0.00 0.00 54.13 52.47 1i4n s LEU 135 Cb 0.06 -0.96 -0.05 0.00 0.03 0.00 0.00 46.19 45.27 1i4n s LEU 135 CO 0.09 0.12 0.99 0.42 0.23 0.00 0.00 176.35 178.19 1i4n s THR 136 N -0.99 4.71 0.40 5.49 -4.23 -1.26 -4.86 115.64 114.90 1i4n s THR 136 Ca 0.08 0.84 0.15 0.00 -1.18 0.00 0.00 61.69 61.58 1i4n s THR 136 Cb -0.09 -3.84 0.36 0.00 1.34 0.00 0.00 72.50 70.26 1i4n s THR 136 CO 0.03 -1.02 1.86 0.00 -0.54 0.00 0.00 174.62 174.95 1i4n h ALA 137 N -0.02 2.09 -0.04 3.99 0.00 -1.94 -1.32 119.26 122.02 1i4n h ALA 137 Ca -0.45 0.02 -0.24 0.00 0.00 0.00 0.00 54.91 54.24 1i4n h ALA 137 Cb 1.19 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.94 1i4n h ALA 137 CO 0.62 -0.36 -0.94 0.93 0.00 0.00 0.00 179.25 179.50 1i4n h GLU 138 N 0.48 0.62 -0.78 0.00 3.07 -1.96 -2.84 114.58 113.17 1i4n h GLU 138 Ca 0.46 -0.62 -0.00 0.00 -0.50 0.00 0.00 59.36 58.70 1i4n h GLU 138 Cb 1.02 0.16 -0.04 0.00 -0.84 0.00 0.00 28.75 29.06 1i4n h GLU 138 CO -0.19 1.23 0.47 1.96 -1.40 0.00 0.00 179.01 181.08 1i4n h GLN 139 N 0.37 1.06 -0.90 2.33 4.20 -1.66 -2.42 115.11 118.09 1i4n h GLN 139 Ca -0.09 -0.10 0.07 0.00 0.06 0.00 0.00 58.65 58.59 1i4n h GLN 139 Cb 1.58 -0.22 -0.07 0.00 0.30 0.00 0.00 27.48 29.07 1i4n h GLN 139 CO 0.18 0.75 0.56 0.82 -0.67 0.00 0.00 178.83 180.47 1i4n h ILE 140 N 1.07 1.03 -0.18 2.54 2.04 -1.22 -2.44 117.51 120.35 1i4n h ILE 140 Ca 0.28 -0.34 -0.19 0.00 1.00 0.00 0.00 64.86 65.61 1i4n h ILE 140 Cb -0.04 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 35.98 1i4n h ILE 140 CO -0.05 0.18 -0.65 0.50 0.00 0.00 0.00 178.15 178.13 1i4n h LYS 141 N 1.00 0.67 -0.04 2.37 3.64 -1.21 -2.37 116.57 120.63 1i4n h LYS 141 Ca 0.40 -0.48 -0.17 0.00 -1.27 0.00 0.00 60.65 59.13 1i4n h LYS 141 Cb 0.20 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 1i4n h LYS 141 CO -0.18 1.10 -0.73 1.05 -2.27 0.00 0.00 179.45 178.42 1i4n h GLU 142 N 0.49 0.25 -0.27 1.90 4.11 -1.29 -1.96 114.58 117.80 1i4n h GLU 142 Ca -0.02 -0.21 -0.18 0.00 0.07 0.00 0.00 59.36 59.02 1i4n h GLU 142 Cb 1.24 0.05 -0.00 0.00 0.50 0.00 0.00 28.75 30.54 1i4n h GLU 142 CO 0.13 0.87 -0.56 0.82 0.07 0.00 0.00 179.01 180.35 1i4n h ILE 143 N 0.17 1.28 -0.14 -1.06 2.04 -1.48 -1.28 117.51 117.03 1i4n h ILE 143 Ca -0.02 -1.75 -0.01 0.00 1.00 0.00 0.00 64.86 64.07 1i4n h ILE 143 Cb 1.29 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 39.03 1i4n h ILE 143 CO 0.11 0.57 0.04 0.22 0.00 0.00 0.00 178.15 179.09 1i4n h TYR 144 N 0.63 0.23 -0.70 1.37 3.20 -1.40 -2.95 116.97 117.36 1i4n h TYR 144 Ca 0.01 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1i4n h TYR 144 Cb 1.16 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 39.33 1i4n h TYR 144 CO 0.07 0.35 0.28 0.93 -1.64 0.00 0.00 178.16 178.15 1i4n h GLU 145 N 0.05 1.02 -0.57 1.82 5.08 -1.31 -2.22 114.58 118.44 1i4n h GLU 145 Ca 0.05 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.23 1i4n h GLU 145 Cb 0.23 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 1i4n h GLU 145 CO -0.00 0.83 0.32 0.00 -1.00 0.00 0.00 179.01 179.15 1i4n h ALA 146 N 1.30 0.73 -0.19 3.43 0.00 -1.16 -2.60 119.26 120.78 1i4n h ALA 146 Ca 0.24 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1i4n h ALA 146 Cb 0.18 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 1i4n h ALA 146 CO -0.02 0.25 -0.41 0.00 0.00 0.00 0.00 179.25 179.06 1i4n h ALA 147 N 1.14 0.94 -0.55 0.00 0.00 -1.37 -3.15 119.26 116.28 1i4n h ALA 147 Ca 0.20 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 1i4n h ALA 147 Cb 0.04 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 1i4n h ALA 147 CO -0.03 0.63 0.26 1.49 0.00 0.00 0.00 179.25 181.59 1i4n h GLU 148 N 0.36 0.76 -0.00 0.00 4.57 -1.02 -1.98 114.58 117.28 1i4n h GLU 148 Ca 0.03 -0.09 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1i4n h GLU 148 Cb 0.88 -0.15 0.00 0.00 -0.16 0.00 0.00 28.75 29.32 1i4n h GLU 148 CO 0.07 0.60 -0.01 -0.85 -1.18 0.00 0.00 179.01 177.64 1i4n n GLU 149 N -4.37 0.98 -0.00 1.92 0.28 -1.09 -2.84 120.64 115.52 1i4n n GLU 149 Ca 0.05 -0.15 0.09 0.00 -0.16 0.00 0.00 57.16 56.99 1i4n n GLU 149 Cb 0.13 -1.50 0.08 0.00 1.43 0.00 0.00 31.44 31.58 1i4n n GLU 149 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1i4n n LEU 150 N -0.88 2.53 0.00 -1.84 4.77 -0.78 -4.97 117.00 115.84 1i4n n LEU 150 Ca 0.21 -1.01 0.00 0.00 -0.03 0.00 0.00 56.01 55.18 1i4n n LEU 150 Cb 0.18 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 1i4n n LEU 150 CO 0.19 0.45 0.00 0.61 -1.33 0.00 0.00 177.39 177.31 1i4n n GLY 151 N 1.03 0.67 3.95 -0.72 0.00 -1.13 -1.60 105.19 107.39 1i4n n GLY 151 Ca 0.11 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.90 1i4n n GLY 151 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1i4n s MET 152 N -0.23 2.36 0.23 1.61 -1.94 -0.99 -2.04 119.30 118.30 1i4n s MET 152 Ca 0.00 -0.56 0.10 0.00 -1.71 0.00 0.00 55.69 53.52 1i4n s MET 152 Cb 0.00 -2.34 -0.04 0.00 2.01 0.00 0.00 34.83 34.46 1i4n s MET 152 CO 0.00 -0.97 -0.08 -0.51 -0.01 0.00 0.00 175.02 173.44 1i4n s ASP 153 N -4.48 4.22 -0.12 3.03 1.01 -0.81 -4.37 116.67 115.15 1i4n s ASP 153 Ca 0.59 -0.69 0.02 0.00 0.71 0.00 0.00 52.55 53.17 1i4n s ASP 153 Cb -0.10 -0.68 0.01 0.00 1.01 0.00 0.00 42.92 43.16 1i4n s ASP 153 CO 0.41 0.05 -0.17 -0.44 0.21 0.00 0.00 175.17 175.23 1i4n s SER 154 N -3.26 2.63 -0.66 0.27 0.01 -1.26 -1.47 113.70 109.96 1i4n s SER 154 Ca 0.28 -0.48 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 1i4n s SER 154 Cb -0.07 -1.19 0.10 0.00 0.21 0.00 0.00 66.02 65.06 1i4n s SER 154 CO 0.17 0.04 0.84 -0.22 0.41 0.00 0.00 173.24 174.48 1i4n s LEU 155 N 0.91 5.03 -0.40 2.44 2.96 -0.91 -4.45 118.68 124.26 1i4n s LEU 155 Ca -0.07 -1.37 -0.29 0.00 -0.22 0.00 0.00 54.13 52.18 1i4n s LEU 155 Cb -0.15 -2.35 0.02 0.00 0.50 0.00 0.00 46.19 44.21 1i4n s LEU 155 CO -0.01 -1.22 1.17 -0.69 -1.32 0.00 0.00 176.35 174.28 1i4n s VAL 156 N 3.12 4.25 -0.21 1.68 1.01 -1.05 -2.15 120.40 127.03 1i4n s VAL 156 Ca 0.18 1.34 -0.15 0.00 0.00 0.00 0.00 61.98 63.35 1i4n s VAL 156 Cb -0.19 -4.45 -0.04 0.00 0.00 0.00 0.00 36.38 31.69 1i4n s VAL 156 CO 0.06 -0.77 0.36 -0.70 0.00 0.00 0.00 175.10 174.04 1i4n s GLU 157 N 4.26 4.15 0.19 2.72 2.12 0.78 -0.22 118.70 132.68 1i4n s GLU 157 Ca 0.50 0.11 0.10 0.00 0.36 0.00 0.00 54.97 56.04 1i4n s GLU 157 Cb -0.10 -3.54 -0.04 0.00 0.26 0.00 0.00 34.13 30.70 1i4n s GLU 157 CO 0.26 -0.03 -0.15 0.14 -0.54 0.00 0.00 175.26 174.93 1i4n s VAL 158 N 1.31 2.85 0.00 3.70 -7.23 -0.22 -2.78 120.40 118.03 1i4n s VAL 158 Ca 0.17 -1.81 0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1i4n s VAL 158 Cb -0.15 -2.40 0.00 0.00 0.56 0.00 0.00 36.38 34.40 1i4n s VAL 158 CO 0.07 -0.11 0.00 1.57 -0.31 0.00 0.00 175.10 176.32 1i4n n HIS 159 N 0.13 0.00 -4.13 2.82 -0.00 -1.26 -1.60 115.22 111.17 1i4n n HIS 159 Ca -0.11 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 57.93 1i4n n HIS 159 Cb 0.56 0.00 -0.07 0.00 -0.12 0.00 0.00 29.99 30.36 1i4n n HIS 159 CO 0.00 0.00 0.00 -1.54 0.46 0.00 0.00 176.34 175.26 1i4n s SER 160 N -0.84 0.60 0.39 0.26 1.04 -1.26 -4.97 113.70 108.92 1i4n s SER 160 Ca 0.00 -1.38 0.18 0.00 0.48 0.00 0.00 55.95 55.23 1i4n s SER 160 Cb 0.00 0.55 0.78 0.00 0.10 0.00 0.00 66.02 67.44 1i4n s SER 160 CO 0.00 -1.09 1.79 -0.09 0.98 0.00 0.00 173.24 174.83 1i4n h ARG 161 N 2.29 0.00 -0.71 4.02 2.43 -2.00 -2.25 114.38 118.17 1i4n h ARG 161 Ca -0.29 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.88 1i4n h ARG 161 Cb 1.24 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.76 1i4n h ARG 161 CO 0.42 0.35 0.45 0.93 -1.51 0.00 0.00 179.97 180.61 1i4n h GLU 162 N 0.00 0.95 -0.28 0.20 4.39 -2.00 -1.69 114.58 116.15 1i4n h GLU 162 Ca -0.00 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.60 1i4n h GLU 162 Cb 0.79 -0.21 -0.01 0.00 -0.10 0.00 0.00 28.75 29.22 1i4n h GLU 162 CO 0.05 0.65 0.06 -0.44 -1.16 0.00 0.00 179.01 178.17 1i4n h ASP 163 N 0.97 0.43 -0.59 1.42 3.45 -1.82 -2.70 116.42 117.57 1i4n h ASP 163 Ca 0.26 -0.24 -0.05 0.00 0.43 0.00 0.00 57.03 57.43 1i4n h ASP 163 Cb -0.08 -0.11 -0.02 0.00 -0.56 0.00 0.00 39.33 38.55 1i4n h ASP 163 CO -0.05 0.56 0.17 0.25 -1.57 0.00 0.00 179.24 178.60 1i4n h LEU 164 N 0.28 0.87 -0.08 1.55 5.85 -1.27 -2.68 115.31 119.83 1i4n h LEU 164 Ca 0.09 -0.22 -0.00 0.00 0.84 0.00 0.00 57.88 58.59 1i4n h LEU 164 Cb 0.30 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 41.10 1i4n h LEU 164 CO 0.00 0.86 0.04 -0.33 -0.34 0.00 0.00 178.44 178.66 1i4n h GLU 165 N 0.84 0.12 -0.18 1.25 5.08 -1.30 -2.45 114.58 117.94 1i4n h GLU 165 Ca 0.19 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 58.57 1i4n h GLU 165 Cb 0.31 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1i4n h GLU 165 CO -0.00 0.23 0.13 -0.22 -1.00 0.00 0.00 179.01 178.15 1i4n h LYS 166 N -0.01 0.03 -0.01 2.33 3.64 -1.43 -2.51 116.57 118.61 1i4n h LYS 166 Ca 0.03 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1i4n h LYS 166 Cb 0.15 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 31.96 1i4n h LYS 166 CO -0.00 0.02 -0.07 0.28 -2.27 0.00 0.00 179.45 177.41 1i4n h VAL 167 N 0.03 1.55 0.00 2.00 2.07 -1.15 -3.30 116.25 117.46 1i4n h VAL 167 Ca 0.08 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 65.88 1i4n h VAL 167 Cb 0.30 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 1i4n h VAL 167 CO -0.00 0.46 0.00 -0.26 0.02 0.00 0.00 177.57 177.78 1i4n h PHE 168 N -0.62 0.00 0.00 1.57 0.04 -1.16 -2.03 116.94 114.73 1i4n h PHE 168 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1i4n h PHE 168 Cb 0.79 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.94 1i4n h PHE 168 CO 0.17 0.00 0.00 -1.13 -0.60 0.00 0.00 178.31 176.75 1i4n n SER 169 N -2.52 0.00 0.00 2.17 3.41 -0.97 -4.14 113.62 111.57 1i4n n SER 169 Ca 0.00 -1.12 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 1i4n n SER 169 Cb 0.18 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.13 1i4n n SER 169 CO 0.00 0.00 0.00 0.55 -0.16 0.00 0.00 175.04 175.43 1i4n n VAL 170 N -0.93 0.00 -4.06 -3.33 3.14 -0.87 -5.12 118.33 107.16 1i4n n VAL 170 Ca 0.20 0.00 -0.10 0.00 -2.96 0.00 0.00 64.34 61.48 1i4n n VAL 170 Cb 0.09 -0.12 -0.08 0.00 -1.06 0.00 0.00 33.84 32.68 1i4n n VAL 170 CO 0.00 0.00 0.00 0.27 -6.46 0.00 0.00 176.83 170.64 1i4n s ILE 171 N -1.13 0.04 -0.62 1.55 -4.36 -0.82 -5.02 121.20 110.84 1i4n s ILE 171 Ca 0.00 -1.64 0.02 0.00 -0.26 0.00 0.00 60.65 58.76 1i4n s ILE 171 Cb 0.00 -2.13 0.15 0.00 1.25 0.00 0.00 42.46 41.73 1i4n s ILE 171 CO 0.00 -0.18 0.40 -0.13 0.24 0.00 0.00 174.94 175.27 1i4n s ARG 172 N -4.04 2.35 0.56 0.37 0.52 -1.26 -4.25 118.95 113.19 1i4n s ARG 172 Ca 0.25 -2.78 -0.21 0.00 -0.52 0.00 0.00 55.73 52.47 1i4n s ARG 172 Cb 0.04 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.95 1i4n s ARG 172 CO 0.05 -1.17 1.21 -0.35 0.02 0.00 0.00 175.30 175.06 1i4n n PRO 173 N 2.95 1.37 -0.01 3.54 -0.04 -1.26 -4.97 135.00 136.58 1i4n n PRO 173 Ca 0.10 0.51 -0.10 0.00 -0.04 0.00 0.00 63.50 63.97 1i4n n PRO 173 Cb 0.35 -2.40 -0.14 0.00 -0.04 0.00 0.00 33.50 31.26 1i4n n PRO 173 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1i4n h LYS 174 N 1.08 0.04 -3.84 0.54 1.79 -1.95 -3.46 116.57 110.77 1i4n h LYS 174 Ca -0.50 -0.06 -0.44 0.00 -2.18 0.00 0.00 60.65 57.47 1i4n h LYS 174 Cb 1.33 0.02 -0.37 0.00 -1.58 0.00 0.00 32.23 31.63 1i4n h LYS 174 CO 0.55 0.61 -0.77 0.42 -1.08 0.00 0.00 179.45 179.18 1i4n s ILE 175 N -2.60 0.49 -0.06 1.86 1.01 -1.26 -1.71 121.20 118.92 1i4n s ILE 175 Ca -0.07 0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.64 1i4n s ILE 175 Cb 0.08 -0.59 -0.02 0.00 0.01 0.00 0.00 42.46 41.93 1i4n s ILE 175 CO 0.82 0.26 -0.16 -0.63 0.00 0.00 0.00 174.94 175.23 1i4n s ILE 176 N 1.67 2.86 -0.05 2.92 1.01 -0.11 -2.54 121.20 126.96 1i4n s ILE 176 Ca 0.01 -0.78 0.05 0.00 0.00 0.00 0.00 60.65 59.93 1i4n s ILE 176 Cb -0.13 -2.12 -0.02 0.00 0.01 0.00 0.00 42.46 40.20 1i4n s ILE 176 CO -0.04 0.57 -0.21 -0.83 0.00 0.00 0.00 174.94 174.43 1i4n s GLY 177 N -0.43 1.37 -0.28 6.18 0.00 0.69 -2.29 107.32 112.57 1i4n s GLY 177 Ca 0.05 -1.03 -0.06 0.00 0.00 0.00 0.00 44.72 43.68 1i4n s GLY 177 CO 0.02 -0.69 0.05 -0.42 0.00 0.00 0.00 173.10 172.06 1i4n s ILE 178 N -0.35 3.82 -0.24 0.90 1.01 -0.54 -1.06 121.20 124.74 1i4n s ILE 178 Ca 0.02 -0.65 -0.12 0.00 0.00 0.00 0.00 60.65 59.90 1i4n s ILE 178 Cb -0.12 -2.92 -0.05 0.00 0.01 0.00 0.00 42.46 39.38 1i4n s ILE 178 CO 0.02 0.16 0.21 0.21 0.00 0.00 0.00 174.94 175.54 1i4n s ASN 179 N 1.49 6.17 0.12 3.58 3.84 -0.63 -1.35 114.94 128.16 1i4n s ASN 179 Ca 0.03 0.18 0.26 0.00 0.21 0.00 0.00 52.86 53.54 1i4n s ASN 179 Cb -0.17 -2.13 0.74 0.00 -0.55 0.00 0.00 41.25 39.14 1i4n s ASN 179 CO 0.01 0.02 1.65 0.35 -2.79 0.00 0.00 177.10 176.34 1i4n n THR 180 N 4.40 0.35 -3.40 -5.21 -2.24 -1.00 -4.63 114.28 102.55 1i4n n THR 180 Ca -0.13 -0.20 -0.38 0.00 -2.27 0.00 0.00 64.05 61.07 1i4n n THR 180 Cb 0.52 -0.36 -0.06 0.00 -2.10 0.00 0.00 70.33 68.33 1i4n n THR 180 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 1i4n s ARG 181 N -3.09 4.11 -0.42 -0.78 3.52 -1.26 -1.24 118.95 119.79 1i4n s ARG 181 Ca 0.10 0.48 -0.26 0.00 -0.13 0.00 0.00 55.73 55.92 1i4n s ARG 181 Cb 0.14 -3.30 0.02 0.00 -1.56 0.00 0.00 34.95 30.26 1i4n s ARG 181 CO 0.63 0.50 0.95 0.34 -0.81 0.00 0.00 175.30 176.91 1i4n s ASP 182 N -0.49 6.60 0.00 -2.12 2.15 -0.19 -4.93 116.67 117.69 1i4n s ASP 182 Ca 0.25 0.39 0.06 0.00 0.43 0.00 0.00 52.55 53.68 1i4n s ASP 182 Cb -0.17 -2.47 0.33 0.00 -0.30 0.00 0.00 42.92 40.32 1i4n s ASP 182 CO 0.13 -0.98 0.72 0.18 -0.17 0.00 0.00 175.17 175.05 1i4n n LEU 183 N 7.06 0.00 -0.06 -1.34 4.77 -1.26 -0.93 117.00 125.23 1i4n n LEU 183 Ca 0.07 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.95 1i4n n LEU 183 Cb 0.48 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.52 1i4n n LEU 183 CO 0.62 0.00 -0.93 -0.67 -1.33 0.00 0.00 177.39 175.09 1i4n n ASP 184 N -0.81 2.24 -0.07 -1.43 2.03 -1.26 -4.17 116.55 113.08 1i4n n ASP 184 Ca 0.04 0.02 -0.10 0.00 0.52 0.00 0.00 54.79 55.27 1i4n n ASP 184 Cb 0.02 -0.27 -0.15 0.00 -0.72 0.00 0.00 41.12 40.00 1i4n n ASP 184 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 1i4n n THR 185 N -3.14 1.49 -0.92 5.18 -2.24 -1.21 -0.74 114.28 112.68 1i4n n THR 185 Ca -0.24 -0.82 0.00 0.00 -2.27 0.00 0.00 64.05 60.72 1i4n n THR 185 Cb 0.72 -0.74 0.00 0.00 -2.10 0.00 0.00 70.33 68.20 1i4n n THR 185 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1i4n n PHE 186 N -2.90 0.00 -3.19 4.78 3.01 -0.11 -4.82 117.46 114.23 1i4n n PHE 186 Ca -0.27 0.00 -0.31 0.00 1.01 0.00 0.00 57.45 57.88 1i4n n PHE 186 Cb 1.11 -0.46 -0.05 0.00 -0.01 0.00 0.00 39.48 40.07 1i4n n PHE 186 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1i4n s GLU 187 N -1.88 3.83 -0.00 -1.08 2.02 -1.26 -4.80 118.70 115.54 1i4n s GLU 187 Ca 0.00 0.39 0.04 0.00 0.02 0.00 0.00 54.97 55.43 1i4n s GLU 187 Cb 0.00 -2.52 -0.03 0.00 0.10 0.00 0.00 34.13 31.68 1i4n s GLU 187 CO 0.00 0.17 -0.12 0.96 0.02 0.00 0.00 175.26 176.29 1i4n s ILE 188 N -2.04 3.25 -0.32 -1.63 -4.36 -1.26 -1.02 121.20 113.82 1i4n s ILE 188 Ca 0.50 -0.87 -0.00 0.00 -0.26 0.00 0.00 60.65 60.02 1i4n s ILE 188 Cb -0.11 -2.36 0.10 0.00 1.25 0.00 0.00 42.46 41.34 1i4n s ILE 188 CO 0.24 0.43 0.10 -0.54 0.24 0.00 0.00 174.94 175.41 1i4n s LYS 189 N -1.23 0.83 0.19 0.37 1.02 -0.38 -4.99 119.74 115.55 1i4n s LYS 189 Ca 0.15 -1.22 -0.16 0.00 0.02 0.00 0.00 55.97 54.76 1i4n s LYS 189 Cb -0.11 -2.15 0.16 0.00 -0.52 0.00 0.00 37.83 35.21 1i4n s LYS 189 CO 0.05 -0.99 1.65 0.87 -0.92 0.00 0.00 175.35 176.00 1i4n h LYS 190 N 7.97 -0.01 -0.60 1.68 1.79 -1.99 -2.90 116.57 122.50 1i4n h LYS 190 Ca -0.12 0.00 0.17 0.00 -2.18 0.00 0.00 60.65 58.53 1i4n h LYS 190 Cb 1.01 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.64 1i4n h LYS 190 CO 0.48 -0.01 0.65 -2.95 -1.08 0.00 0.00 179.45 176.54 1i4n h ASN 191 N -0.01 0.00 -0.58 0.86 -1.07 -1.97 -2.48 115.58 110.33 1i4n h ASN 191 Ca 0.24 0.00 0.14 0.00 0.07 0.00 0.00 56.30 56.75 1i4n h ASN 191 Cb 0.38 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.60 1i4n h ASN 191 CO -0.53 0.00 0.40 0.58 0.07 0.00 0.00 177.43 177.95 1i4n h VAL 192 N 0.00 0.78 0.33 6.14 2.07 -1.90 -1.82 116.25 121.85 1i4n h VAL 192 Ca 0.29 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.73 1i4n h VAL 192 Cb 1.58 0.61 0.00 0.00 -1.52 0.00 0.00 31.29 31.96 1i4n h VAL 192 CO -0.00 0.03 -0.16 0.25 0.02 0.00 0.00 177.57 177.71 1i4n h LEU 193 N 0.16 -0.38 -1.84 2.57 6.46 -1.68 -2.81 115.31 117.79 1i4n h LEU 193 Ca 0.28 -0.13 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 1i4n h LEU 193 Cb 0.87 0.10 -0.00 0.00 -0.73 0.00 0.00 40.66 40.90 1i4n h LEU 193 CO -0.04 -0.07 -0.09 -0.50 -0.62 0.00 0.00 178.44 177.13 1i4n h TRP 194 N -0.70 0.00 0.02 1.25 4.06 -1.54 -2.68 115.95 116.35 1i4n h TRP 194 Ca -0.05 0.00 -0.00 0.00 2.06 0.00 0.00 58.89 60.90 1i4n h TRP 194 Cb 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.65 1i4n h TRP 194 CO 0.01 0.09 -0.01 1.05 -3.56 0.00 0.00 178.44 176.02 1i4n h GLU 195 N 0.00 -0.02 0.00 0.49 4.11 -1.43 -3.37 114.58 114.35 1i4n h GLU 195 Ca -0.00 0.00 -0.05 0.00 0.07 0.00 0.00 59.36 59.38 1i4n h GLU 195 Cb 0.15 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1i4n h GLU 195 CO 0.01 0.76 -0.25 -0.07 0.07 0.00 0.00 179.01 179.53 1i4n h LEU 196 N -0.90 0.00 -0.83 3.06 4.07 -1.43 -3.36 115.31 115.92 1i4n h LEU 196 Ca -0.00 0.00 0.12 0.00 0.08 0.00 0.00 57.88 58.08 1i4n h LEU 196 Cb 0.79 0.00 -0.08 0.00 1.08 0.00 0.00 40.66 42.44 1i4n h LEU 196 CO 0.00 0.25 0.45 0.25 -1.08 0.00 0.00 178.44 178.31 1i4n h LEU 197 N 0.00 0.58 -1.21 1.67 6.46 -1.65 -2.12 115.31 119.05 1i4n h LEU 197 Ca -0.00 0.07 -0.02 0.00 -0.12 0.00 0.00 57.88 57.81 1i4n h LEU 197 Cb 0.56 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.43 1i4n h LEU 197 CO 0.03 0.29 0.26 -0.65 -0.62 0.00 0.00 178.44 177.76 1i4n h PRO 198 N 0.69 0.81 0.00 5.25 0.11 -1.81 -2.92 132.00 134.13 1i4n h PRO 198 Ca 0.43 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 66.43 1i4n h PRO 198 Cb 0.51 -0.15 0.00 0.00 0.11 0.00 0.00 31.00 31.47 1i4n h PRO 198 CO -0.31 0.64 0.00 1.28 -0.21 0.00 0.00 178.00 179.40 1i4n n LEU 199 N -4.35 0.58 -4.67 2.35 4.32 -0.80 -4.67 117.00 109.76 1i4n n LEU 199 Ca 0.05 0.74 -0.39 0.00 -0.02 0.00 0.00 56.01 56.40 1i4n n LEU 199 Cb 0.14 -0.78 -0.07 0.00 -1.62 0.00 0.00 43.42 41.09 1i4n n LEU 199 CO 0.38 -0.88 0.22 -0.69 -1.22 0.00 0.00 177.39 175.20 1i4n s VAL 200 N -3.51 5.13 0.82 4.08 1.01 -1.10 -5.07 120.40 121.76 1i4n s VAL 200 Ca -0.01 0.93 -0.15 0.00 0.00 0.00 0.00 61.98 62.76 1i4n s VAL 200 Cb 0.07 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.61 1i4n s VAL 200 CO 0.24 0.21 0.45 -2.65 0.00 0.00 0.00 175.10 173.35 1i4n n PRO 201 N 4.55 0.07 0.22 2.72 -0.02 -1.26 -4.91 135.00 136.36 1i4n n PRO 201 Ca -0.05 0.07 0.11 0.00 -2.02 0.00 0.00 63.50 61.60 1i4n n PRO 201 Cb 0.51 -1.82 0.36 0.00 -0.02 0.00 0.00 33.50 32.53 1i4n n PRO 201 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1i4n h ASP 202 N -0.85 0.00 -0.00 2.55 3.45 -1.97 -3.10 116.42 116.49 1i4n h ASP 202 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 1i4n h ASP 202 Cb 1.32 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.09 1i4n h ASP 202 CO 0.39 0.16 -0.01 -0.67 -1.57 0.00 0.00 179.24 177.54 1i4n n ASP 203 N -3.22 1.60 -4.90 6.45 -0.08 -1.26 -4.93 116.55 110.21 1i4n n ASP 203 Ca 0.02 -1.51 -0.30 0.00 -1.51 0.00 0.00 54.79 51.48 1i4n n ASP 203 Cb 0.48 0.01 -0.04 0.00 2.34 0.00 0.00 41.12 43.90 1i4n n ASP 203 CO 0.00 0.00 0.00 -0.89 0.12 0.00 0.00 177.20 176.43 1i4n s THR 204 N -2.03 5.16 -0.09 5.18 2.01 -1.18 -5.05 115.64 119.64 1i4n s THR 204 Ca 0.36 -0.04 -0.21 0.00 0.31 0.00 0.00 61.69 62.11 1i4n s THR 204 Cb 0.21 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 69.02 1i4n s THR 204 CO 0.34 -0.04 0.62 -0.69 -0.69 0.00 0.00 174.62 174.16 1i4n s VAL 205 N -1.74 5.10 -0.12 3.82 1.01 -0.70 -4.98 120.40 122.78 1i4n s VAL 205 Ca 0.41 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.67 1i4n s VAL 205 Cb -0.12 -3.96 -0.01 0.00 0.00 0.00 0.00 36.38 32.30 1i4n s VAL 205 CO 0.26 0.27 -0.18 -0.69 0.00 0.00 0.00 175.10 174.77 1i4n s VAL 206 N 0.77 2.60 -0.13 2.92 1.01 -1.26 -0.93 120.40 125.39 1i4n s VAL 206 Ca 0.33 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1i4n s VAL 206 Cb -0.17 -2.06 -0.01 0.00 0.00 0.00 0.00 36.38 34.14 1i4n s VAL 206 CO 0.15 0.54 -0.15 -0.69 0.00 0.00 0.00 175.10 174.94 1i4n s VAL 207 N 0.43 2.84 -0.21 2.92 1.01 -0.97 -0.89 120.40 125.54 1i4n s VAL 207 Ca -0.13 -0.74 -0.18 0.00 0.00 0.00 0.00 61.98 60.94 1i4n s VAL 207 Cb -0.17 -2.18 -0.03 0.00 0.00 0.00 0.00 36.38 34.01 1i4n s VAL 207 CO 0.06 0.53 0.49 0.00 0.00 0.00 0.00 175.10 176.18 1i4n s ALA 208 N 0.38 3.55 -0.04 5.51 0.00 -0.53 -1.47 121.76 129.16 1i4n s ALA 208 Ca -0.12 -0.46 0.02 0.00 0.00 0.00 0.00 51.96 51.40 1i4n s ALA 208 Cb -0.16 -2.78 -0.03 0.00 0.00 0.00 0.00 23.12 20.14 1i4n s ALA 208 CO 0.06 -0.45 -0.09 -1.21 0.00 0.00 0.00 175.76 174.07 1i4n s GLU 209 N 1.66 2.62 0.33 0.00 2.02 -0.46 -2.31 118.70 122.56 1i4n s GLU 209 Ca 0.23 -0.64 0.00 0.00 0.02 0.00 0.00 54.97 54.58 1i4n s GLU 209 Cb -0.15 -2.51 0.00 0.00 0.10 0.00 0.00 34.13 31.57 1i4n s GLU 209 CO 0.09 0.64 0.00 0.43 0.02 0.00 0.00 175.26 176.44 1i4n n SER 210 N 2.06 -4.09 0.00 -0.19 7.64 -1.23 -2.38 113.62 115.42 1i4n n SER 210 Ca -0.17 0.78 0.00 0.00 1.01 0.00 0.00 58.87 60.49 1i4n n SER 210 Cb 0.53 -2.56 0.00 0.00 -1.01 0.00 0.00 64.21 61.17 1i4n n SER 210 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1i4n n GLY 211 N -3.14 2.65 3.66 0.23 0.00 -1.26 -4.82 105.19 102.50 1i4n n GLY 211 Ca -0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1i4n n GLY 211 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1i4n s ILE 212 N -2.30 3.14 -0.00 -0.61 1.01 -1.26 -4.83 121.20 116.35 1i4n s ILE 212 Ca 0.00 0.17 0.01 0.00 0.00 0.00 0.00 60.65 60.84 1i4n s ILE 212 Cb 0.00 -3.11 -0.02 0.00 0.01 0.00 0.00 42.46 39.34 1i4n s ILE 212 CO 0.00 -0.02 0.03 0.29 0.00 0.00 0.00 174.94 175.24 1i4n n LYS 213 N 7.46 0.85 -4.19 2.79 5.02 -1.26 -4.58 118.16 124.26 1i4n n LYS 213 Ca 0.19 -0.01 -0.27 0.00 -2.02 0.00 0.00 58.31 56.21 1i4n n LYS 213 Cb 0.41 -1.03 -0.17 0.00 -0.02 0.00 0.00 35.03 34.22 1i4n n LYS 213 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1i4n s ASP 214 N -2.38 2.15 0.51 4.39 3.68 -1.26 -5.04 116.67 118.73 1i4n s ASP 214 Ca -0.01 -0.34 0.26 0.00 2.13 0.00 0.00 52.55 54.59 1i4n s ASP 214 Cb 0.01 -0.91 1.36 0.00 -1.45 0.00 0.00 42.92 41.93 1i4n s ASP 214 CO 0.06 -0.05 1.94 -0.65 0.13 0.00 0.00 175.17 176.60 1i4n h PRO 215 N 7.71 0.07 -0.01 4.34 0.11 -1.94 -0.53 132.00 141.76 1i4n h PRO 215 Ca -0.31 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1i4n h PRO 215 Cb 1.15 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.25 1i4n h PRO 215 CO 0.45 0.05 0.01 0.00 -0.21 0.00 0.00 178.00 178.30 1i4n h ARG 216 N 0.08 0.00 -0.67 1.05 -0.00 -1.96 -2.87 114.38 110.01 1i4n h ARG 216 Ca 0.34 0.00 0.17 0.00 -0.50 0.00 0.00 59.98 59.99 1i4n h ARG 216 Cb 1.23 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.16 1i4n h ARG 216 CO -0.03 0.00 0.47 0.93 0.00 0.00 0.00 179.97 181.34 1i4n h GLU 217 N 0.00 0.12 0.00 0.04 5.08 -1.51 -1.12 114.58 117.19 1i4n h GLU 217 Ca 0.00 -0.01 -0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1i4n h GLU 217 Cb 0.02 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1i4n h GLU 217 CO -0.00 0.08 -0.01 -0.07 -1.00 0.00 0.00 179.01 178.01 1i4n h LEU 218 N 0.12 0.00 -0.82 1.33 4.07 -1.72 -2.82 115.31 115.47 1i4n h LEU 218 Ca 0.32 0.00 0.04 0.00 0.08 0.00 0.00 57.88 58.32 1i4n h LEU 218 Cb 1.11 0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.79 1i4n h LEU 218 CO -0.04 0.01 0.52 0.50 -1.08 0.00 0.00 178.44 178.35 1i4n h LYS 219 N 0.00 0.97 0.00 1.13 3.64 -1.29 -2.19 116.57 118.82 1i4n h LYS 219 Ca -0.00 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1i4n h LYS 219 Cb 0.14 -0.22 -0.00 0.00 -0.41 0.00 0.00 32.23 31.74 1i4n h LYS 219 CO 0.00 0.64 -0.01 -0.44 -2.27 0.00 0.00 179.45 177.37 1i4n h ASP 220 N 1.00 0.00 1.73 4.20 3.32 -1.69 -3.25 116.42 121.72 1i4n h ASP 220 Ca 0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.38 1i4n h ASP 220 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1i4n h ASP 220 CO -0.13 0.01 0.00 -0.07 -1.72 0.00 0.00 179.24 177.33 1i4n h LEU 221 N 0.00 0.00 -9.33 1.55 4.07 -1.49 -3.46 115.31 106.66 1i4n h LEU 221 Ca -0.00 0.00 -0.65 0.00 0.08 0.00 0.00 57.88 57.31 1i4n h LEU 221 Cb 0.88 0.00 0.05 0.00 1.08 0.00 0.00 40.66 42.68 1i4n h LEU 221 CO 0.00 0.00 0.55 0.54 -1.08 0.00 0.00 178.44 178.46 1i4n n ARG 222 N -2.89 1.42 0.00 1.13 1.74 -1.18 -1.54 116.66 115.34 1i4n n ARG 222 Ca 0.04 0.51 0.00 0.00 -0.77 0.00 0.00 57.85 57.63 1i4n n ARG 222 Cb 0.47 -2.19 0.00 0.00 -1.02 0.00 0.00 32.46 29.72 1i4n n ARG 222 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1i4n n GLY 223 N 2.79 2.38 0.09 -0.13 0.00 -1.26 -4.77 105.19 104.29 1i4n n GLY 223 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.13 1i4n n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1i4n n LYS 224 N -1.91 0.67 -4.17 1.61 4.76 -0.59 -5.01 118.16 113.53 1i4n n LYS 224 Ca 0.00 0.05 -0.15 0.00 -2.87 0.00 0.00 58.31 55.35 1i4n n LYS 224 Cb 0.00 -1.59 -0.11 0.00 -1.84 0.00 0.00 35.03 31.49 1i4n n LYS 224 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 1i4n s VAL 225 N -2.62 0.92 0.06 -0.18 0.11 -1.07 -5.02 120.40 112.60 1i4n s VAL 225 Ca -0.08 -1.56 -0.13 0.00 -2.93 0.00 0.00 61.98 57.28 1i4n s VAL 225 Cb 0.07 -1.26 -0.29 0.00 -1.53 0.00 0.00 36.38 33.37 1i4n s VAL 225 CO 0.83 -0.51 1.11 0.78 -3.33 0.00 0.00 175.10 173.99 1i4n h ASN 226 N 3.72 0.80 -5.29 3.54 4.21 -1.30 -3.44 115.58 117.83 1i4n h ASN 226 Ca -0.38 -0.76 0.14 0.00 1.21 0.00 0.00 56.30 56.52 1i4n h ASN 226 Cb 1.19 -0.25 -0.05 0.00 -1.12 0.00 0.00 38.32 38.08 1i4n h ASN 226 CO 0.50 1.57 0.47 0.00 -1.29 0.00 0.00 177.43 178.68 1i4n s ALA 227 N -2.93 -1.48 0.08 -0.83 0.00 -1.16 -2.44 121.76 112.99 1i4n s ALA 227 Ca -0.08 -0.17 0.06 0.00 0.00 0.00 0.00 51.96 51.77 1i4n s ALA 227 Cb 0.06 0.70 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1i4n s ALA 227 CO 0.93 -1.04 -0.17 0.08 0.00 0.00 0.00 175.76 175.55 1i4n s VAL 228 N -2.86 1.36 -0.24 0.00 1.01 -0.58 -1.45 120.40 117.64 1i4n s VAL 228 Ca 0.16 -1.36 -0.02 0.00 0.00 0.00 0.00 61.98 60.76 1i4n s VAL 228 Cb -0.03 -1.26 0.02 0.00 0.00 0.00 0.00 36.38 35.11 1i4n s VAL 228 CO 0.05 -0.12 -0.08 -0.22 0.00 0.00 0.00 175.10 174.73 1i4n s LEU 229 N -1.72 3.03 -0.03 3.92 0.20 -0.98 -1.17 118.68 121.94 1i4n s LEU 229 Ca 0.02 -0.79 0.05 0.00 0.69 0.00 0.00 54.13 54.09 1i4n s LEU 229 Cb -0.10 -1.65 -0.01 0.00 -0.43 0.00 0.00 46.19 44.01 1i4n s LEU 229 CO 0.03 -0.10 -0.17 -0.69 -0.29 0.00 0.00 176.35 175.13 1i4n s VAL 230 N 1.34 1.35 0.00 1.68 1.01 -0.76 -3.57 120.40 121.45 1i4n s VAL 230 Ca 0.01 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1i4n s VAL 230 Cb -0.16 -1.15 0.00 0.00 0.00 0.00 0.00 36.38 35.07 1i4n s VAL 230 CO -0.05 0.39 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1i4n n GLY 231 N 2.95 -0.08 0.28 4.51 0.00 -1.26 -1.01 105.19 110.58 1i4n n GLY 231 Ca -0.17 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.80 1i4n n GLY 231 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1i4n h THR 232 N 0.00 0.34 -0.99 2.61 2.02 -1.94 -0.93 112.91 114.01 1i4n h THR 232 Ca 0.00 0.00 0.22 0.00 0.77 0.00 0.00 66.41 67.40 1i4n h THR 232 Cb 0.00 0.34 -0.12 0.00 -1.74 0.00 0.00 68.15 66.63 1i4n h THR 232 CO 0.00 0.00 0.59 0.28 0.37 0.00 0.00 175.52 176.76 1i4n h SER 233 N -0.15 0.70 -0.05 4.18 0.02 -1.94 0.51 113.55 116.82 1i4n h SER 233 Ca 0.21 0.12 -0.10 0.00 -0.84 0.00 0.00 61.79 61.18 1i4n h SER 233 Cb 0.48 0.01 0.01 0.00 0.14 0.00 0.00 62.40 63.03 1i4n h SER 233 CO -0.54 0.16 -0.38 0.40 -1.14 0.00 0.00 176.83 175.34 1i4n h ILE 234 N 0.64 1.44 -0.56 3.27 2.04 -1.56 -2.34 117.51 120.44 1i4n h ILE 234 Ca 0.61 -1.84 -0.02 0.00 1.00 0.00 0.00 64.86 64.62 1i4n h ILE 234 Cb 1.09 2.44 -0.03 0.00 -0.74 0.00 0.00 36.82 39.58 1i4n h ILE 234 CO -0.44 0.53 0.27 0.24 0.00 0.00 0.00 178.15 178.74 1i4n h MET 235 N -0.18 0.79 0.00 2.37 2.86 -0.60 -2.94 114.93 117.23 1i4n h MET 235 Ca -0.03 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 1i4n h MET 235 Cb 1.05 -0.15 0.00 0.00 0.06 0.00 0.00 31.60 32.56 1i4n h MET 235 CO 0.08 0.61 -0.52 0.87 1.06 0.00 0.00 176.91 179.01 1i4n h LYS 236 N 0.79 0.00 -6.71 1.72 1.57 -0.99 -3.46 116.57 109.50 1i4n h LYS 236 Ca 0.20 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.40 1i4n h LYS 236 Cb 0.08 0.00 0.12 0.00 0.08 0.00 0.00 32.23 32.51 1i4n h LYS 236 CO -0.03 0.00 0.36 0.00 -0.57 0.00 0.00 179.45 179.22 1i4n n ALA 237 N -2.06 0.81 -0.13 3.86 0.00 -0.88 -4.92 120.51 117.19 1i4n n ALA 237 Ca 0.02 0.31 -0.12 0.00 0.00 0.00 0.00 53.44 53.65 1i4n n ALA 237 Cb 0.51 -2.18 -0.01 0.00 0.00 0.00 0.00 19.45 17.78 1i4n n ALA 237 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1i4n h GLU 238 N 2.09 0.94 -3.19 0.00 4.39 -1.91 -3.36 114.58 113.54 1i4n h GLU 238 Ca -0.45 -0.46 -0.62 0.00 0.34 0.00 0.00 59.36 58.16 1i4n h GLU 238 Cb 1.31 0.00 -0.40 0.00 -0.10 0.00 0.00 28.75 29.55 1i4n h GLU 238 CO 0.60 1.12 -0.69 1.21 -1.16 0.00 0.00 179.01 180.09 1i4n s ASN 239 N -6.81 3.94 0.19 1.42 3.84 -1.26 -5.00 114.94 111.27 1i4n s ASN 239 Ca -0.11 -2.75 -0.12 0.00 0.21 0.00 0.00 52.86 50.09 1i4n s ASN 239 Cb 0.12 -1.28 0.23 0.00 -0.55 0.00 0.00 41.25 39.76 1i4n s ASN 239 CO 0.88 -0.26 1.70 -0.65 -2.79 0.00 0.00 177.10 175.98 1i4n h PRO 240 N 6.68 0.19 -0.73 0.43 0.11 -1.85 -2.71 132.00 134.12 1i4n h PRO 240 Ca -0.04 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 66.05 1i4n h PRO 240 Cb 0.92 -0.04 -0.04 0.00 0.11 0.00 0.00 31.00 31.95 1i4n h PRO 240 CO 0.57 0.13 0.41 -0.09 -0.21 0.00 0.00 178.00 178.80 1i4n h ARG 241 N 0.19 1.00 -0.42 1.05 2.43 -1.95 -2.40 114.38 114.29 1i4n h ARG 241 Ca 0.27 -0.10 -0.06 0.00 -0.81 0.00 0.00 59.98 59.28 1i4n h ARG 241 Cb 0.40 -0.21 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 1i4n h ARG 241 CO -0.39 0.73 0.04 0.00 -1.51 0.00 0.00 179.97 178.84 1i4n h ARG 242 N 1.02 0.72 0.12 0.20 2.47 -1.92 -1.91 114.38 115.07 1i4n h ARG 242 Ca 0.26 -0.21 0.01 0.00 -1.26 0.00 0.00 59.98 58.79 1i4n h ARG 242 Cb 0.00 -0.08 -0.03 0.00 -1.65 0.00 0.00 29.97 28.22 1i4n h ARG 242 CO -0.04 0.77 -0.21 0.35 0.56 0.00 0.00 179.97 181.40 1i4n h PHE 243 N 0.57 -0.55 -0.64 3.04 3.57 -1.32 -0.10 116.94 121.51 1i4n h PHE 243 Ca 0.12 0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1i4n h PHE 243 Cb 0.42 0.23 -0.03 0.00 2.79 0.00 0.00 35.95 39.36 1i4n h PHE 243 CO 0.03 -0.30 0.27 -0.07 -2.23 0.00 0.00 178.31 176.01 1i4n h LEU 244 N -0.40 0.84 -0.37 0.59 3.38 -1.41 -1.11 115.31 116.83 1i4n h LEU 244 Ca 0.02 -0.10 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1i4n h LEU 244 Cb 0.41 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1i4n h LEU 244 CO -0.11 0.74 -0.05 -0.33 0.09 0.00 0.00 178.44 178.79 1i4n h GLU 245 N 0.92 0.68 -0.51 1.13 5.08 -1.09 -1.95 114.58 118.84 1i4n h GLU 245 Ca 0.22 -0.24 -0.06 0.00 -1.00 0.00 0.00 59.36 58.28 1i4n h GLU 245 Cb 0.15 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1i4n h GLU 245 CO -0.02 0.81 0.08 1.49 -1.00 0.00 0.00 179.01 180.37 1i4n h GLU 246 N 0.49 0.84 -0.50 2.33 4.81 -0.81 -1.90 114.58 119.84 1i4n h GLU 246 Ca 0.10 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.15 1i4n h GLU 246 Cb 0.53 -0.10 -0.05 0.00 0.63 0.00 0.00 28.75 29.77 1i4n h GLU 246 CO 0.03 0.83 0.23 0.52 -0.73 0.00 0.00 179.01 179.89 1i4n h MET 247 N 0.72 0.43 -0.47 1.92 2.86 -1.15 -2.36 114.93 116.88 1i4n h MET 247 Ca 0.15 -0.03 0.04 0.00 -2.06 0.00 0.00 59.70 57.81 1i4n h MET 247 Cb 0.40 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.92 1i4n h MET 247 CO 0.01 0.29 0.23 -0.09 1.06 0.00 0.00 176.91 178.40 1i4n h ARG 248 N 0.45 0.43 -0.97 1.72 2.43 -1.12 -2.11 114.38 115.21 1i4n h ARG 248 Ca 0.22 -0.03 0.16 0.00 -0.81 0.00 0.00 59.98 59.53 1i4n h ARG 248 Cb 0.17 -0.10 -0.09 0.00 -0.42 0.00 0.00 29.97 29.53 1i4n h ARG 248 CO -0.18 0.29 0.61 0.00 -1.51 0.00 0.00 179.97 179.18 1i4n h ALA 249 N 1.26 1.73 -0.05 2.80 0.00 -0.84 -1.80 119.26 122.37 1i4n h ALA 249 Ca 0.21 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1i4n h ALA 249 Cb 0.13 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1i4n h ALA 249 CO -0.16 -0.03 0.00 0.91 0.00 0.00 0.00 179.25 179.97 1i4n n TRP 250 N -4.64 0.03 0.21 0.00 7.02 -0.93 -4.42 117.44 114.71 1i4n n TRP 250 Ca 0.20 -0.02 0.09 0.00 -1.02 0.00 0.00 57.50 56.76 1i4n n TRP 250 Cb 0.50 0.00 0.30 0.00 -2.42 0.00 0.00 31.31 29.69 1i4n n TRP 250 CO 0.00 0.00 0.00 0.66 -2.02 0.00 0.00 177.69 176.33 1i4n h SER 251 N 3.38 0.00 0.00 -0.99 4.64 -0.67 -3.31 113.55 116.60 1i4n h SER 251 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1i4n h SER 251 Cb 0.72 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.81 1i4n h SER 251 CO 0.00 0.22 0.00 -1.84 -0.87 0.00 0.00 176.83 174.34