#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i4n n THR 2 N 0.00 -3.25 0.00 3.17 -1.04 -1.26 -4.68 114.28 107.22 3i4n n THR 2 Ca 0.00 1.60 0.00 0.00 -2.04 0.00 0.00 64.05 63.61 3i4n n THR 2 Cb 0.00 -2.57 0.00 0.00 -1.82 0.00 0.00 70.33 65.94 3i4n n THR 2 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 3i4n n THR 3 N -2.41 0.00 -2.06 12.58 -1.04 -1.26 -4.91 114.28 115.18 3i4n n THR 3 Ca 0.00 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 62.00 3i4n n THR 3 Cb 0.42 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 3i4n n THR 3 CO 0.00 0.00 0.00 2.22 -0.64 0.00 0.00 175.07 176.65 3i4n n PHE 4 N 0.00 -3.47 -3.96 -1.42 1.16 -1.26 -5.10 117.46 103.41 3i4n n PHE 4 Ca 0.00 -0.04 -0.10 0.00 -1.87 0.00 0.00 57.45 55.44 3i4n n PHE 4 Cb 0.00 -0.02 -0.03 0.00 -1.61 0.00 0.00 39.48 37.82 3i4n n PHE 4 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 3i4n s ARG 5 N -2.55 1.80 0.21 3.97 1.70 -1.26 -5.16 118.95 117.66 3i4n s ARG 5 Ca 0.02 -1.36 0.09 0.00 -0.47 0.00 0.00 55.73 54.01 3i4n s ARG 5 Cb -0.00 0.52 -0.04 0.00 -0.57 0.00 0.00 34.95 34.86 3i4n s ARG 5 CO 0.01 -0.78 -0.04 -0.06 -1.08 0.00 0.00 175.30 173.35 3i4n s PHE 6 N -3.45 2.71 0.32 5.89 2.99 -1.26 -3.66 117.98 121.52 3i4n s PHE 6 Ca 0.21 -0.20 -0.17 0.00 0.00 0.00 0.00 56.93 56.77 3i4n s PHE 6 Cb -0.02 -1.28 -0.09 0.00 0.00 0.00 0.00 43.02 41.62 3i4n s PHE 6 CO 0.12 0.55 0.77 0.00 -0.00 0.00 0.00 175.22 176.66 3i4n n ARG 8 N -0.17 1.67 0.00 0.00 1.85 -1.26 -2.91 116.66 115.84 3i4n n ARG 8 Ca 0.03 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.88 3i4n n ARG 8 Cb 0.53 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.94 3i4n n ARG 8 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 3i4n n ASP 9 N 0.00 0.00 -4.25 2.89 8.00 -1.26 -3.35 116.55 118.58 3i4n n ASP 9 Ca 0.00 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.08 3i4n n ASP 9 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.07 3i4n n ASP 9 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4n n ASN 11 N 2.67 -0.41 0.00 0.00 5.15 -1.15 -4.70 115.26 116.83 3i4n n ASN 11 Ca 0.22 -0.83 0.00 0.00 -0.60 0.00 0.00 54.58 53.37 3i4n n ASN 11 Cb 0.39 -0.89 0.00 0.00 -0.53 0.00 0.00 39.78 38.75 3i4n n ASN 11 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3i4n n ASN 12 N 9.73 0.00 -4.85 1.20 5.03 -1.26 -4.95 115.26 120.17 3i4n n ASN 12 Ca 0.61 0.00 -0.23 0.00 0.87 0.00 0.00 54.58 55.83 3i4n n ASN 12 Cb 0.23 0.00 -0.04 0.00 -1.02 0.00 0.00 39.78 38.95 3i4n n ASN 12 CO 0.00 0.00 0.00 -0.32 -1.83 0.00 0.00 177.26 175.11 3i4n s MET 13 N 4.16 3.02 -0.30 3.52 -2.45 -1.26 -4.34 119.30 121.65 3i4n s MET 13 Ca 0.00 -0.93 0.02 0.00 -1.25 0.00 0.00 55.69 53.53 3i4n s MET 13 Cb 0.00 -2.66 0.09 0.00 1.25 0.00 0.00 34.83 33.51 3i4n s MET 13 CO 0.00 0.43 0.03 -0.51 1.05 0.00 0.00 175.02 176.02 3i4n s LEU 14 N -3.63 3.59 0.33 4.11 1.43 -1.24 -4.49 118.68 118.78 3i4n s LEU 14 Ca 0.33 -1.77 -0.10 0.00 -1.03 0.00 0.00 54.13 51.56 3i4n s LEU 14 Cb -0.09 -1.34 -0.07 0.00 0.03 0.00 0.00 46.19 44.72 3i4n s LEU 14 CO 0.25 -0.34 0.67 -0.31 0.23 0.00 0.00 176.35 176.85 3i4n s TYR 15 N 1.20 3.45 0.12 0.29 1.51 -0.35 -4.68 117.35 118.88 3i4n s TYR 15 Ca 0.06 0.94 -0.15 0.00 -1.01 0.00 0.00 57.07 56.91 3i4n s TYR 15 Cb -0.19 -2.34 -0.07 0.00 -0.11 0.00 0.00 41.96 39.26 3i4n s TYR 15 CO -0.12 0.07 0.53 -1.25 -1.11 0.00 0.00 175.55 173.67 3i4n s PRO 16 N -3.42 3.99 0.17 -1.71 0.04 -1.26 0.71 135.00 133.52 3i4n s PRO 16 Ca 0.49 0.50 0.04 0.00 0.04 0.00 0.00 61.00 62.07 3i4n s PRO 16 Cb -0.11 -3.01 -0.05 0.00 0.04 0.00 0.00 34.50 31.38 3i4n s PRO 16 CO 0.26 0.53 -0.07 1.03 0.04 0.00 0.00 177.00 178.79 3i4n s ARG 17 N -1.74 1.12 -0.00 4.56 1.81 0.27 -4.93 118.95 120.03 3i4n s ARG 17 Ca 0.35 -1.51 0.06 0.00 -1.72 0.00 0.00 55.73 52.91 3i4n s ARG 17 Cb -0.16 -0.58 -0.03 0.00 -0.45 0.00 0.00 34.95 33.73 3i4n s ARG 17 CO 0.19 0.02 -0.17 -2.00 -0.68 0.00 0.00 175.30 172.66 3i4n s GLU 18 N -3.79 2.27 -1.06 3.54 2.12 -1.26 -0.87 118.70 119.66 3i4n s GLU 18 Ca 0.20 -0.85 -0.20 0.00 0.36 0.00 0.00 54.97 54.48 3i4n s GLU 18 Cb 0.04 -2.27 0.09 0.00 0.26 0.00 0.00 34.13 32.25 3i4n s GLU 18 CO 0.03 0.58 1.41 0.34 -0.54 0.00 0.00 175.26 177.07 3i4n s ASP 19 N -1.08 6.64 0.02 -1.70 -1.08 0.13 -4.86 116.67 114.74 3i4n s ASP 19 Ca 0.13 -1.90 -0.06 0.00 -0.52 0.00 0.00 52.55 50.20 3i4n s ASP 19 Cb -0.11 -2.51 -0.02 0.00 -1.46 0.00 0.00 42.92 38.83 3i4n s ASP 19 CO 0.03 -1.27 1.09 0.11 0.52 0.00 0.00 175.17 175.65 3i4n h LYS 20 N 8.96 -0.05 0.62 4.34 1.57 -1.96 0.50 116.57 130.54 3i4n h LYS 20 Ca 0.24 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.00 3i4n h LYS 20 Cb 0.98 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.29 3i4n h LYS 20 CO 1.33 -0.03 -0.50 1.49 -0.57 0.00 0.00 179.45 181.17 3i4n h GLU 21 N -0.05 -1.04 0.00 3.15 4.81 -1.99 -3.22 114.58 116.24 3i4n h GLU 21 Ca 0.02 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.32 3i4n h GLU 21 Cb 0.10 0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.71 3i4n h GLU 21 CO -0.12 -0.70 0.00 0.09 -0.73 0.00 0.00 179.01 177.56 3i4n n ASN 22 N -5.52 0.00 -2.74 1.04 3.02 -1.22 -5.01 115.26 104.83 3i4n n ASN 22 Ca -0.13 0.19 -0.01 0.00 -0.03 0.00 0.00 54.58 54.61 3i4n n ASN 22 Cb 0.48 -0.40 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3i4n n ASN 22 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i4n n ASN 23 N -1.40 -8.01 0.00 6.41 4.13 0.17 -5.04 115.26 111.52 3i4n n ASN 23 Ca 0.10 1.35 0.00 0.00 1.68 0.00 0.00 54.58 57.71 3i4n n ASN 23 Cb 0.29 -5.26 0.00 0.00 -1.54 0.00 0.00 39.78 33.27 3i4n n ASN 23 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3i4n n ARG 24 N 0.65 0.00 -3.27 3.52 1.85 -1.21 -4.96 116.66 113.23 3i4n n ARG 24 Ca 0.01 0.00 -0.38 0.00 -1.00 0.00 0.00 57.85 56.47 3i4n n ARG 24 Cb 0.05 0.00 -0.06 0.00 -1.05 0.00 0.00 32.46 31.40 3i4n n ARG 24 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 3i4n s LEU 25 N 0.00 4.36 -0.09 2.89 2.96 -1.26 0.18 118.68 127.71 3i4n s LEU 25 Ca 0.00 0.99 0.01 0.00 -0.22 0.00 0.00 54.13 54.91 3i4n s LEU 25 Cb 0.00 -2.80 0.02 0.00 0.50 0.00 0.00 46.19 43.91 3i4n s LEU 25 CO 0.00 0.07 -0.10 -0.76 -1.32 0.00 0.00 176.35 174.23 3i4n s LEU 26 N 0.13 1.46 0.45 -0.68 1.43 -0.05 0.89 118.68 122.31 3i4n s LEU 26 Ca 0.29 -0.32 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 3i4n s LEU 26 Cb -0.17 -0.86 -0.04 0.00 0.03 0.00 0.00 46.19 45.15 3i4n s LEU 26 CO 0.14 -0.04 0.74 -0.36 0.23 0.00 0.00 176.35 177.06 3i4n s PHE 27 N 1.17 3.54 0.38 0.29 2.99 0.93 0.93 117.98 128.22 3i4n s PHE 27 Ca -0.05 0.76 -0.13 0.00 0.00 0.00 0.00 56.93 57.51 3i4n s PHE 27 Cb -0.14 -2.25 0.05 0.00 0.00 0.00 0.00 43.02 40.68 3i4n s PHE 27 CO -0.02 -0.19 0.73 -1.83 -0.00 0.00 0.00 175.22 173.91 3i4n s GLU 28 N -4.56 2.20 -0.09 0.44 -1.05 0.22 -2.09 118.70 113.77 3i4n s GLU 28 Ca 0.46 -1.53 0.04 0.00 -0.15 0.00 0.00 54.97 53.80 3i4n s GLU 28 Cb -0.10 0.59 0.00 0.00 -0.44 0.00 0.00 34.13 34.18 3i4n s GLU 28 CO 0.42 -1.01 -0.23 0.00 0.95 0.00 0.00 175.26 175.39 3i4n n ARG 30 N 3.51 4.37 -0.12 0.00 1.74 -1.26 -3.70 116.66 121.19 3i4n n ARG 30 Ca -0.19 -3.14 0.07 0.00 -0.77 0.00 0.00 57.85 53.81 3i4n n ARG 30 Cb 0.53 -2.25 0.12 0.00 -1.02 0.00 0.00 32.46 29.84 3i4n n ARG 30 CO 0.00 0.00 0.00 2.41 -1.52 0.00 0.00 177.63 178.52 3i4n n THR 31 N 0.25 1.63 0.00 0.55 -1.04 -1.26 -5.03 114.28 109.39 3i4n n THR 31 Ca 0.34 -1.75 0.00 0.00 -2.04 0.00 0.00 64.05 60.60 3i4n n THR 31 Cb 1.30 0.02 0.00 0.00 -1.82 0.00 0.00 70.33 69.83 3i4n n THR 31 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4n n SER 33 N 0.00 0.47 -4.32 0.00 7.64 -1.26 -4.83 113.62 111.32 3i4n n SER 33 Ca 0.00 -0.74 -0.39 0.00 1.01 0.00 0.00 58.87 58.75 3i4n n SER 33 Cb 0.00 0.42 0.02 0.00 -1.01 0.00 0.00 64.21 63.63 3i4n n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4n n TYR 34 N -0.42 -2.13 -3.94 1.43 9.36 -1.26 -4.85 117.16 115.35 3i4n n TYR 34 Ca 0.00 0.47 -0.09 0.00 3.32 0.00 0.00 57.90 61.60 3i4n n TYR 34 Cb 0.02 -1.78 -0.05 0.00 -0.63 0.00 0.00 39.34 36.90 3i4n n TYR 34 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 3i4n s VAL 35 N -1.88 0.01 0.00 2.97 1.01 -1.26 -3.25 120.40 118.00 3i4n s VAL 35 Ca 0.61 -1.28 0.00 0.00 0.00 0.00 0.00 61.98 61.31 3i4n s VAL 35 Cb -0.50 -2.07 0.00 0.00 0.00 0.00 0.00 36.38 33.81 3i4n s VAL 35 CO 0.62 -0.04 0.00 -1.84 0.00 0.00 0.00 175.10 173.84 3i4n n GLU 36 N -0.37 0.00 -0.86 2.72 0.28 -0.89 -4.99 120.64 116.53 3i4n n GLU 36 Ca -0.03 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 56.65 3i4n n GLU 36 Cb 0.62 0.00 0.15 0.00 1.43 0.00 0.00 31.44 33.64 3i4n n GLU 36 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 177.13 175.14 3i4n s GLU 37 N -0.53 1.30 0.59 3.44 -1.05 -1.26 -0.05 118.70 121.15 3i4n s GLU 37 Ca 0.00 1.56 -0.19 0.00 -0.15 0.00 0.00 54.97 56.19 3i4n s GLU 37 Cb 0.00 -1.76 -0.05 0.00 -0.44 0.00 0.00 34.13 31.88 3i4n s GLU 37 CO 0.00 -2.42 1.01 0.00 0.95 0.00 0.00 175.26 174.80 3i4n n ALA 38 N -3.93 0.33 0.58 -0.84 0.00 0.26 -4.60 120.51 112.30 3i4n n ALA 38 Ca 0.12 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.69 3i4n n ALA 38 Cb 0.52 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.79 3i4n n ALA 38 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4n n GLY 39 N 1.23 -1.12 3.61 0.00 0.00 -1.26 -4.96 105.19 102.68 3i4n n GLY 39 Ca 0.13 -0.47 -0.08 0.00 0.00 0.00 0.00 46.02 45.61 3i4n n GLY 39 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i4n s SER 40 N -3.80 -0.29 0.00 1.61 0.15 -1.26 -5.03 113.70 105.09 3i4n s SER 40 Ca 0.03 0.40 0.10 0.00 0.70 0.00 0.00 55.95 57.19 3i4n s SER 40 Cb 0.15 0.36 0.62 0.00 -1.71 0.00 0.00 66.02 65.44 3i4n s SER 40 CO 0.83 -0.20 1.06 -0.81 1.20 0.00 0.00 173.24 175.33 3i4n n PRO 41 N 1.14 0.51 -2.93 5.44 -0.04 -1.26 -4.50 135.00 133.35 3i4n n PRO 41 Ca -0.09 0.00 -0.44 0.00 -0.04 0.00 0.00 63.50 62.93 3i4n n PRO 41 Cb 0.57 -1.32 -0.02 0.00 -0.04 0.00 0.00 33.50 32.69 3i4n n PRO 41 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 3i4n s LEU 42 N -1.64 5.07 0.19 1.53 2.96 -1.26 -4.86 118.68 120.66 3i4n s LEU 42 Ca 0.16 -2.16 -0.03 0.00 -0.22 0.00 0.00 54.13 51.87 3i4n s LEU 42 Cb 0.07 -2.40 0.11 0.00 0.50 0.00 0.00 46.19 44.48 3i4n s LEU 42 CO 0.12 -1.02 1.51 0.58 -1.32 0.00 0.00 176.35 176.22 3i4n h VAL 43 N 5.69 1.32 -1.69 1.68 2.07 -1.86 -3.43 116.25 120.02 3i4n h VAL 43 Ca 0.18 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.96 3i4n h VAL 43 Cb 1.01 1.74 -0.23 0.00 -1.52 0.00 0.00 31.29 32.29 3i4n h VAL 43 CO 1.12 0.55 0.42 -0.47 0.02 0.00 0.00 177.57 179.21 3i4n s TYR 44 N -4.03 -0.48 0.03 1.57 5.04 -1.26 -4.63 117.35 113.58 3i4n s TYR 44 Ca -0.07 0.94 0.02 0.00 -2.44 0.00 0.00 57.07 55.51 3i4n s TYR 44 Cb 0.11 0.41 -0.02 0.00 0.35 0.00 0.00 41.96 42.82 3i4n s TYR 44 CO 0.84 -0.38 -0.06 0.50 -1.34 0.00 0.00 175.55 175.12 3i4n s ARG 45 N -0.73 0.43 -0.11 4.97 3.52 -1.26 -4.59 118.95 121.18 3i4n s ARG 45 Ca -0.03 -0.55 -0.10 0.00 -0.13 0.00 0.00 55.73 54.92 3i4n s ARG 45 Cb -0.02 -0.23 -0.03 0.00 -1.56 0.00 0.00 34.95 33.11 3i4n s ARG 45 CO 0.02 0.04 -0.20 1.58 -0.81 0.00 0.00 175.30 175.93 3i4n n HIS 46 N 1.93 0.08 -1.37 5.12 -0.00 -1.26 -4.35 115.22 115.37 3i4n n HIS 46 Ca -0.20 0.03 0.00 0.00 -0.00 0.00 0.00 57.72 57.55 3i4n n HIS 46 Cb 0.56 -0.34 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 3i4n n HIS 46 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 3i4n n GLU 47 N -3.69 -3.56 0.01 1.57 2.13 -1.26 -5.05 120.64 110.79 3i4n n GLU 47 Ca -0.08 2.63 -0.01 0.00 0.66 0.00 0.00 57.16 60.36 3i4n n GLU 47 Cb 0.30 -2.77 -0.00 0.00 0.27 0.00 0.00 31.44 29.23 3i4n n GLU 47 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3i4n n LEU 48 N 0.67 0.55 -4.52 4.31 4.77 -1.26 -4.84 117.00 116.68 3i4n n LEU 48 Ca 0.00 0.07 -0.43 0.00 -0.03 0.00 0.00 56.01 55.62 3i4n n LEU 48 Cb 0.00 -0.18 -0.01 0.00 -2.33 0.00 0.00 43.42 40.91 3i4n n LEU 48 CO 0.00 -0.30 1.57 -0.63 -1.33 0.00 0.00 177.39 176.71 3i4n s ILE 49 N -2.03 4.52 1.14 -0.08 1.01 -1.26 -4.98 121.20 119.52 3i4n s ILE 49 Ca -0.02 -2.02 -0.13 0.00 0.00 0.00 0.00 60.65 58.49 3i4n s ILE 49 Cb 0.01 -5.02 0.27 0.00 0.01 0.00 0.00 42.46 37.73 3i4n s ILE 49 CO 0.02 -1.80 1.04 -0.89 0.00 0.00 0.00 174.94 173.31 3i4n s THR 50 N 3.11 2.03 0.00 2.92 2.01 -1.26 -5.00 115.64 119.44 3i4n s THR 50 Ca 0.46 0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.47 3i4n s THR 50 Cb -0.00 -2.12 0.00 0.00 0.01 0.00 0.00 72.50 70.39 3i4n s THR 50 CO 0.01 -0.01 0.00 0.59 -0.69 0.00 0.00 174.62 174.52 3i4n n ASN 51 N -4.82 0.00 -4.59 3.53 4.13 -1.26 -5.09 115.26 107.16 3i4n n ASN 51 Ca 0.03 -0.06 -0.43 0.00 1.68 0.00 0.00 54.58 55.80 3i4n n ASN 51 Cb 0.55 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.75 3i4n n ASN 51 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 3i4n s ILE 52 N 0.00 4.42 0.00 2.41 -4.36 -1.26 -2.90 121.20 119.50 3i4n s ILE 52 Ca 0.00 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.49 3i4n s ILE 52 Cb 0.00 -4.46 0.00 0.00 1.25 0.00 0.00 42.46 39.25 3i4n s ILE 52 CO 0.00 -0.79 0.00 0.61 0.24 0.00 0.00 174.94 175.00 3i4n n GLY 53 N 4.67 1.24 0.40 6.27 0.00 -1.26 -4.93 105.19 111.59 3i4n n GLY 53 Ca 0.09 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3i4n n GLY 53 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3i4n h GLU 54 N 0.00 0.00 0.00 1.61 5.08 -1.88 -2.49 114.58 116.91 3i4n h GLU 54 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i4n h GLU 54 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i4n h GLU 54 CO 0.00 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.42 3i4n n THR 55 N -2.96 0.00 -0.71 1.13 -1.04 -1.26 -3.50 114.28 105.94 3i4n n THR 55 Ca 0.08 0.00 -0.24 0.00 -2.04 0.00 0.00 64.05 61.85 3i4n n THR 55 Cb 1.02 0.77 -0.01 0.00 -1.82 0.00 0.00 70.33 70.29 3i4n n THR 55 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i4n n ALA 56 N 0.00 -2.10 -2.15 2.41 0.00 -0.94 -4.25 120.51 113.48 3i4n n ALA 56 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 53.44 53.59 3i4n n ALA 56 Cb 0.12 -0.81 0.00 0.00 0.00 0.00 0.00 19.45 18.76 3i4n n ALA 56 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i4n n GLY 57 N 1.14 -3.40 2.37 0.00 0.00 -1.26 -5.00 105.19 99.04 3i4n n GLY 57 Ca 0.08 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 46.10 3i4n n GLY 57 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3i4n n VAL 58 N 0.31 -0.31 -0.72 1.61 0.31 -1.26 -5.09 118.33 113.17 3i4n n VAL 58 Ca 0.01 -3.35 -0.32 0.00 -0.01 0.00 0.00 64.34 60.67 3i4n n VAL 58 Cb 0.02 -0.32 0.15 0.00 -0.91 0.00 0.00 33.84 32.79 3i4n n VAL 58 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 3i4n n VAL 59 N 0.97 0.00 0.29 2.52 0.31 -1.26 -4.78 118.33 116.38 3i4n n VAL 59 Ca 0.18 -0.21 0.17 0.00 -0.01 0.00 0.00 64.34 64.47 3i4n n VAL 59 Cb 0.61 -0.71 0.87 0.00 -0.91 0.00 0.00 33.84 33.71 3i4n n VAL 59 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3i4n h GLN 60 N -1.85 0.00 0.00 5.55 5.75 -2.04 -0.51 115.11 122.02 3i4n h GLN 60 Ca -0.48 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.02 3i4n h GLN 60 Cb 1.30 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.85 3i4n h GLN 60 CO 0.38 0.04 0.00 -0.25 -2.65 0.00 0.00 178.83 176.35 3i4n n ASP 61 N -3.29 0.00 0.00 -0.69 8.00 -1.26 -3.64 116.55 115.67 3i4n n ASP 61 Ca -0.01 0.11 0.00 0.00 0.71 0.00 0.00 54.79 55.60 3i4n n ASP 61 Cb 0.20 -0.32 0.00 0.00 -0.02 0.00 0.00 41.12 40.99 3i4n n ASP 61 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3i4n n ILE 62 N -1.32 0.84 0.44 0.53 3.06 -0.20 0.29 119.36 122.99 3i4n n ILE 62 Ca 0.07 0.37 0.11 0.00 -2.50 0.00 0.00 62.75 60.80 3i4n n ILE 62 Cb 0.14 -1.37 0.16 0.00 0.54 0.00 0.00 39.64 39.11 3i4n n ILE 62 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 3i4n n GLY 63 N -1.15 1.39 0.01 4.50 0.00 -1.24 -4.29 105.19 104.40 3i4n n GLY 63 Ca 0.00 -0.65 0.09 0.00 0.00 0.00 0.00 46.02 45.46 3i4n n GLY 63 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i4n n SER 64 N 1.28 0.76 -4.55 1.61 3.41 0.82 -4.86 113.62 112.09 3i4n n SER 64 Ca 0.16 -0.39 -0.36 0.00 -0.26 0.00 0.00 58.87 58.02 3i4n n SER 64 Cb 0.55 1.50 -0.03 0.00 -0.26 0.00 0.00 64.21 65.97 3i4n n SER 64 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4n s ASP 65 N -3.57 5.19 0.51 4.04 -1.08 -1.24 -4.78 116.67 115.74 3i4n s ASP 65 Ca -0.01 0.23 0.18 0.00 -0.52 0.00 0.00 52.55 52.43 3i4n s ASP 65 Cb 0.13 -2.53 1.26 0.00 -1.46 0.00 0.00 42.92 40.32 3i4n s ASP 65 CO 0.77 -2.47 2.07 1.55 0.52 0.00 0.00 175.17 177.61 3i4n h PRO 66 N 14.67 0.08 -0.81 4.34 0.13 -1.96 -1.09 132.00 147.37 3i4n h PRO 66 Ca -0.21 -0.00 0.16 0.00 -0.87 0.00 0.00 66.00 65.08 3i4n h PRO 66 Cb 1.14 -0.02 -0.06 0.00 0.13 0.00 0.00 31.00 32.20 3i4n h PRO 66 CO 1.21 0.05 0.54 1.79 -0.23 0.00 0.00 178.00 181.36 3i4n h THR 67 N 0.09 0.77 -3.75 1.56 1.35 -2.01 -3.42 112.91 107.51 3i4n h THR 67 Ca 0.13 -0.15 -0.50 0.00 -0.55 0.00 0.00 66.41 65.34 3i4n h THR 67 Cb 0.43 0.28 0.01 0.00 -1.73 0.00 0.00 68.15 67.13 3i4n h THR 67 CO -0.01 0.08 0.44 -0.76 -0.25 0.00 0.00 175.52 175.02 3i4n s LEU 68 N -9.43 4.57 0.82 3.87 1.43 -0.41 -5.04 118.68 114.48 3i4n s LEU 68 Ca -0.08 2.15 -0.11 0.00 -1.03 0.00 0.00 54.13 55.06 3i4n s LEU 68 Cb 0.22 -3.62 0.08 0.00 0.03 0.00 0.00 46.19 42.90 3i4n s LEU 68 CO 0.77 -0.08 1.09 -2.16 0.23 0.00 0.00 176.35 176.21 3i4n s PRO 69 N -1.18 1.88 -0.08 1.29 0.04 -1.26 -4.99 135.00 130.69 3i4n s PRO 69 Ca 0.44 1.10 0.03 0.00 0.04 0.00 0.00 61.00 62.61 3i4n s PRO 69 Cb -0.30 -1.86 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 3i4n s PRO 69 CO 0.38 -1.89 -0.17 1.03 0.04 0.00 0.00 177.00 176.39 3i4n s ARG 70 N -4.89 2.84 0.05 4.56 1.81 -1.26 -3.71 118.95 118.34 3i4n s ARG 70 Ca 0.62 -0.75 0.08 0.00 -1.72 0.00 0.00 55.73 53.96 3i4n s ARG 70 Cb -0.18 -2.41 -0.03 0.00 -0.45 0.00 0.00 34.95 31.89 3i4n s ARG 70 CO 0.56 0.41 -0.21 -1.54 -0.68 0.00 0.00 175.30 173.84 3i4n s SER 71 N -0.18 2.55 -0.52 0.23 1.04 -0.53 -4.98 113.70 111.31 3i4n s SER 71 Ca -0.01 -0.55 0.03 0.00 0.48 0.00 0.00 55.95 55.90 3i4n s SER 71 Cb -0.13 -0.21 0.43 0.00 0.10 0.00 0.00 66.02 66.21 3i4n s SER 71 CO 0.03 0.16 1.54 -0.90 0.98 0.00 0.00 173.24 175.06 3i4n n ASP 72 N 1.75 6.07 -4.78 7.02 5.75 -1.25 -1.04 116.55 130.07 3i4n n ASP 72 Ca -0.17 -3.77 -0.39 0.00 -0.01 0.00 0.00 54.79 50.45 3i4n n ASP 72 Cb 0.53 -0.67 -0.06 0.00 -1.03 0.00 0.00 41.12 39.90 3i4n n ASP 72 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3i4n s ARG 73 N -3.73 4.34 -0.37 0.11 0.52 -1.26 -4.65 118.95 113.91 3i4n s ARG 73 Ca 0.54 0.84 -0.29 0.00 -0.52 0.00 0.00 55.73 56.31 3i4n s ARG 73 Cb 0.44 -3.30 -0.00 0.00 0.52 0.00 0.00 34.95 32.60 3i4n s ARG 73 CO -0.11 0.47 1.55 -1.83 0.02 0.00 0.00 175.30 175.40 3i4n s GLU 74 N -0.58 3.52 1.18 3.54 -1.05 -1.05 -4.14 118.70 120.12 3i4n s GLU 74 Ca 0.32 1.15 -0.16 0.00 -0.15 0.00 0.00 54.97 56.14 3i4n s GLU 74 Cb -0.20 -4.08 0.23 0.00 -0.44 0.00 0.00 34.13 29.64 3i4n s GLU 74 CO 0.20 -1.63 0.58 0.00 0.95 0.00 0.00 175.26 175.36 3i4n h PRO 76 N -2.54 0.00 0.00 0.00 0.11 -1.97 -3.29 132.00 124.31 3i4n h PRO 76 Ca -0.58 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.53 3i4n h PRO 76 Cb 1.34 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.45 3i4n h PRO 76 CO 0.44 0.00 0.00 1.63 -0.21 0.00 0.00 178.00 179.86 3i4n n LYS 77 N -2.82 0.00 0.00 1.05 5.02 -1.26 -4.84 118.16 115.31 3i4n n LYS 77 Ca -0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3i4n n LYS 77 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 3i4n n LYS 77 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i4n n HIS 79 N 0.39 0.00 -1.24 0.00 8.25 -1.24 -4.79 115.22 116.59 3i4n n HIS 79 Ca 0.00 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.28 3i4n n HIS 79 Cb 0.38 0.00 0.13 0.00 1.12 0.00 0.00 29.99 31.63 3i4n n HIS 79 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 3i4n n SER 80 N 0.55 -0.66 -1.26 0.41 7.64 -1.26 -4.55 113.62 114.48 3i4n n SER 80 Ca 0.00 -1.12 0.02 0.00 1.01 0.00 0.00 58.87 58.78 3i4n n SER 80 Cb 0.00 -0.60 0.01 0.00 -1.01 0.00 0.00 64.21 62.60 3i4n n SER 80 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3i4n n ARG 81 N -3.02 0.00 -3.77 1.43 1.74 -1.26 -2.54 116.66 109.25 3i4n n ARG 81 Ca 0.10 -1.68 -0.34 0.00 -0.77 0.00 0.00 57.85 55.16 3i4n n ARG 81 Cb 0.35 -0.02 -0.10 0.00 -1.02 0.00 0.00 32.46 31.66 3i4n n ARG 81 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3i4n s GLU 82 N 0.00 2.56 0.25 5.56 2.02 -1.26 -3.93 118.70 123.91 3i4n s GLU 82 Ca 0.24 -2.79 0.09 0.00 0.02 0.00 0.00 54.97 52.53 3i4n s GLU 82 Cb 0.27 -3.65 -0.05 0.00 0.10 0.00 0.00 34.13 30.80 3i4n s GLU 82 CO -0.12 -1.19 -0.14 -0.80 0.02 0.00 0.00 175.26 173.03 3i4n s ASN 83 N 0.07 2.99 -0.35 -0.19 0.01 -0.20 0.60 114.94 117.87 3i4n s ASN 83 Ca 0.20 -1.08 0.01 0.00 -0.71 0.00 0.00 52.86 51.28 3i4n s ASN 83 Cb -0.17 -0.21 0.14 0.00 0.41 0.00 0.00 41.25 41.42 3i4n s ASN 83 CO -0.06 -0.15 0.28 0.54 -1.51 0.00 0.00 177.10 176.20 3i4n s VAL 84 N -2.82 -0.10 0.72 1.60 0.11 -0.98 -1.45 120.40 117.48 3i4n s VAL 84 Ca 0.27 -1.28 -0.11 0.00 -2.93 0.00 0.00 61.98 57.93 3i4n s VAL 84 Cb -0.01 -0.92 0.03 0.00 -1.53 0.00 0.00 36.38 33.96 3i4n s VAL 84 CO 0.11 -0.78 1.11 0.72 -3.33 0.00 0.00 175.10 172.93 3i4n s PHE 85 N 1.37 3.25 0.07 1.54 -0.00 -1.24 -3.92 117.98 119.04 3i4n s PHE 85 Ca 0.16 0.98 -0.04 0.00 -0.00 0.00 0.00 56.93 58.03 3i4n s PHE 85 Cb -0.19 -3.15 0.01 0.00 -0.00 0.00 0.00 43.02 39.69 3i4n s PHE 85 CO -0.05 -1.30 0.20 1.97 -0.00 0.00 0.00 175.22 176.04 3i4n n PHE 86 N -3.06 -1.05 -3.82 3.49 1.16 -1.20 -4.46 117.46 108.52 3i4n n PHE 86 Ca 0.07 -0.35 -0.24 0.00 -1.87 0.00 0.00 57.45 55.06 3i4n n PHE 86 Cb 0.58 0.17 -0.02 0.00 -1.61 0.00 0.00 39.48 38.60 3i4n n PHE 86 CO 0.00 0.00 0.00 -0.65 -1.87 0.00 0.00 176.76 174.24 3i4n s GLN 87 N -2.02 2.32 0.27 3.97 -0.21 -1.26 -2.83 119.66 119.90 3i4n s GLN 87 Ca 0.04 -1.86 -0.30 0.00 0.02 0.00 0.00 55.36 53.26 3i4n s GLN 87 Cb -0.01 -2.16 -0.14 0.00 1.00 0.00 0.00 33.01 31.70 3i4n s GLN 87 CO 0.02 -0.44 1.26 0.45 -2.12 0.00 0.00 175.29 174.46 3i4n n SER 88 N -1.64 2.24 -0.50 5.90 2.88 -1.26 -4.84 113.62 116.40 3i4n n SER 88 Ca 0.00 1.17 0.13 0.00 -1.33 0.00 0.00 58.87 58.84 3i4n n SER 88 Cb 0.64 -1.38 0.49 0.00 -0.75 0.00 0.00 64.21 63.21 3i4n n SER 88 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3i4n n GLN 89 N 1.33 1.69 -2.72 -1.46 1.13 -1.22 -4.71 117.38 111.42 3i4n n GLN 89 Ca 0.10 -1.00 -0.42 0.00 -1.94 0.00 0.00 57.00 53.73 3i4n n GLN 89 Cb 0.32 -1.46 -0.03 0.00 0.11 0.00 0.00 30.24 29.17 3i4n n GLN 89 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3i4n s GLN 90 N -1.96 3.21 -0.41 -1.09 0.74 -1.25 -4.90 119.66 113.99 3i4n s GLN 90 Ca 0.37 -0.44 -0.04 0.00 0.05 0.00 0.00 55.36 55.30 3i4n s GLN 90 Cb 0.20 -4.16 -0.09 0.00 1.10 0.00 0.00 33.01 30.06 3i4n s GLN 90 CO 0.32 -1.87 2.06 0.54 -0.55 0.00 0.00 175.29 175.79 3i4n n ARG 91 N 8.33 1.46 -3.78 1.67 5.12 -1.26 -4.82 116.66 123.38 3i4n n ARG 91 Ca 0.01 -0.94 -0.37 0.00 -1.93 0.00 0.00 57.85 54.62 3i4n n ARG 91 Cb 0.47 -2.08 -0.13 0.00 -1.16 0.00 0.00 32.46 29.57 3i4n n ARG 91 CO 0.00 0.00 0.00 0.50 -1.93 0.00 0.00 177.63 176.20 3i4n s ARG 92 N 2.75 2.88 0.09 5.56 3.52 -1.26 -5.00 118.95 127.48 3i4n s ARG 92 Ca 0.35 -1.00 -0.01 0.00 -0.13 0.00 0.00 55.73 54.94 3i4n s ARG 92 Cb 0.13 -3.36 0.17 0.00 -1.56 0.00 0.00 34.95 30.33 3i4n s ARG 92 CO -0.02 -0.52 0.46 1.63 -0.81 0.00 0.00 175.30 176.04 3i4n n LYS 93 N 4.82 -0.03 -0.18 5.12 5.02 -1.26 -0.18 118.16 131.48 3i4n n LYS 93 Ca -0.14 0.45 -0.03 0.00 -2.02 0.00 0.00 58.31 56.57 3i4n n LYS 93 Cb 0.47 -0.69 0.06 0.00 -0.02 0.00 0.00 35.03 34.85 3i4n n LYS 93 CO 0.00 0.00 0.00 0.38 -0.52 0.00 0.00 177.40 177.26 3i4n h ASP 94 N 0.00 0.38 -0.28 4.39 2.03 -1.96 -3.46 116.42 117.53 3i4n h ASP 94 Ca 0.15 0.03 -0.10 0.00 -0.73 0.00 0.00 57.03 56.39 3i4n h ASP 94 Cb 0.27 -0.04 0.03 0.00 -0.83 0.00 0.00 39.33 38.76 3i4n h ASP 94 CO -0.29 0.26 -0.16 0.41 -1.03 0.00 0.00 179.24 178.43 3i4n n THR 95 N -4.88 0.07 -1.84 1.15 -1.04 0.75 -4.99 114.28 103.51 3i4n n THR 95 Ca 0.05 -0.08 0.00 0.00 -2.04 0.00 0.00 64.05 61.99 3i4n n THR 95 Cb 0.15 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.66 3i4n n THR 95 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 3i4n n SER 96 N 0.37 0.00 -2.08 8.00 3.41 -1.26 -5.06 113.62 117.00 3i4n n SER 96 Ca 0.02 -0.65 -0.09 0.00 -0.26 0.00 0.00 58.87 57.89 3i4n n SER 96 Cb 0.07 0.00 0.05 0.00 -0.26 0.00 0.00 64.21 64.07 3i4n n SER 96 CO 0.00 0.00 0.00 0.23 -0.16 0.00 0.00 175.04 175.11 3i4n n MET 97 N -0.65 2.37 -1.77 4.33 2.81 -1.26 -4.79 117.12 118.17 3i4n n MET 97 Ca 0.00 -3.63 -0.29 0.00 -1.81 0.00 0.00 57.70 51.97 3i4n n MET 97 Cb 0.00 -1.75 0.09 0.00 -0.71 0.00 0.00 33.22 30.85 3i4n n MET 97 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 3i4n s VAL 98 N -3.72 2.45 0.32 2.03 1.01 -1.26 -5.04 120.40 116.17 3i4n s VAL 98 Ca 0.39 0.15 0.10 0.00 0.00 0.00 0.00 61.98 62.62 3i4n s VAL 98 Cb 0.37 -3.05 -0.05 0.00 0.00 0.00 0.00 36.38 33.65 3i4n s VAL 98 CO -0.02 -0.19 -0.04 -0.76 0.00 0.00 0.00 175.10 174.09 3i4n s LEU 99 N -5.66 2.93 -0.14 3.92 1.43 -1.26 -4.47 118.68 115.43 3i4n s LEU 99 Ca 0.61 -0.95 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3i4n s LEU 99 Cb -0.12 -1.35 0.02 0.00 0.03 0.00 0.00 46.19 44.77 3i4n s LEU 99 CO 0.51 -0.14 -0.13 -0.36 0.23 0.00 0.00 176.35 176.46 3i4n s PHE 100 N -2.49 2.06 -0.20 0.29 0.40 -1.13 -2.83 117.98 114.08 3i4n s PHE 100 Ca 0.33 -1.13 -0.07 0.00 -0.60 0.00 0.00 56.93 55.46 3i4n s PHE 100 Cb -0.02 -1.53 -0.04 0.00 0.51 0.00 0.00 43.02 41.94 3i4n s PHE 100 CO 0.18 -0.64 0.06 -0.06 0.70 0.00 0.00 175.22 175.47 3i4n s PHE 101 N 1.49 3.17 -0.22 0.36 0.40 0.83 -3.21 117.98 120.81 3i4n s PHE 101 Ca 0.04 -0.11 -0.07 0.00 -0.60 0.00 0.00 56.93 56.20 3i4n s PHE 101 Cb -0.13 -2.12 -0.03 0.00 0.51 0.00 0.00 43.02 41.24 3i4n s PHE 101 CO -0.10 -0.03 0.06 0.08 0.70 0.00 0.00 175.22 175.93 3i4n s VAL 102 N 0.79 4.41 0.33 -0.44 1.01 -1.25 -2.30 120.40 122.95 3i4n s VAL 102 Ca 0.03 -0.15 -0.27 0.00 0.00 0.00 0.00 61.98 61.59 3i4n s VAL 102 Cb -0.14 -3.02 -0.09 0.00 0.00 0.00 0.00 36.38 33.13 3i4n s VAL 102 CO 0.02 0.39 1.03 0.00 0.00 0.00 0.00 175.10 176.54 3i4n n LEU 104 N 0.57 0.62 -2.28 0.00 4.77 0.20 -2.07 117.00 118.82 3i4n n LEU 104 Ca 0.02 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.72 3i4n n LEU 104 Cb 0.48 -0.16 0.09 0.00 -2.33 0.00 0.00 43.42 41.50 3i4n n LEU 104 CO 0.48 0.05 1.35 -1.20 -1.33 0.00 0.00 177.39 176.73 3i4n n SER 105 N -1.85 6.91 0.00 -1.43 7.64 -1.26 -4.64 113.62 118.98 3i4n n SER 105 Ca 0.03 -3.76 0.00 0.00 1.01 0.00 0.00 58.87 56.15 3i4n n SER 105 Cb 0.40 -0.92 0.00 0.00 -1.01 0.00 0.00 64.21 62.69 3i4n n SER 105 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3i4n n SER 107 N 0.00 -2.17 -4.95 0.00 7.64 -0.88 -5.03 113.62 108.23 3i4n n SER 107 Ca 0.00 -0.01 -0.21 0.00 1.01 0.00 0.00 58.87 59.66 3i4n n SER 107 Cb 0.00 -0.94 0.01 0.00 -1.01 0.00 0.00 64.21 62.26 3i4n n SER 107 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3i4n s HIS 108 N -3.00 2.16 -0.33 1.43 5.04 -1.25 -4.85 115.29 114.49 3i4n s HIS 108 Ca 0.01 -0.61 0.17 0.00 -1.54 0.00 0.00 55.06 53.09 3i4n s HIS 108 Cb -0.00 -2.17 0.45 0.00 0.04 0.00 0.00 32.58 30.90 3i4n s HIS 108 CO 0.02 -0.53 0.99 -0.89 -2.34 0.00 0.00 174.74 172.00 3i4n n ILE 109 N -1.84 0.85 -1.99 0.89 5.41 -1.24 -2.98 119.36 118.47 3i4n n ILE 109 Ca 0.07 -2.90 -0.32 0.00 1.00 0.00 0.00 62.75 60.59 3i4n n ILE 109 Cb 0.62 0.69 0.01 0.00 -0.71 0.00 0.00 39.64 40.25 3i4n n ILE 109 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 176.55 177.27 3i4n s PHE 110 N -2.72 3.03 0.37 1.39 -0.12 -0.97 -4.67 117.98 114.29 3i4n s PHE 110 Ca 0.27 1.49 0.08 0.00 -0.05 0.00 0.00 56.93 58.72 3i4n s PHE 110 Cb 0.45 -2.98 -0.05 0.00 -0.63 0.00 0.00 43.02 39.81 3i4n s PHE 110 CO 0.02 -1.09 0.08 0.99 -0.05 0.00 0.00 175.22 175.17 3i4n s THR 111 N -2.55 2.56 -0.23 -4.49 2.01 -1.26 -0.12 115.64 111.55 3i4n s THR 111 Ca 0.62 -1.85 0.14 0.00 0.31 0.00 0.00 61.69 60.92 3i4n s THR 111 Cb -0.15 -2.90 0.67 0.00 0.01 0.00 0.00 72.50 70.13 3i4n s THR 111 CO 0.39 -0.13 1.61 -1.54 -0.69 0.00 0.00 174.62 174.26 3i4n n SER 112 N -1.07 4.64 -4.77 3.53 3.41 -1.13 -4.96 113.62 113.27 3i4n n SER 112 Ca -0.03 -3.06 -0.36 0.00 -0.26 0.00 0.00 58.87 55.15 3i4n n SER 112 Cb 0.63 -0.63 -0.00 0.00 -0.26 0.00 0.00 64.21 63.94 3i4n n SER 112 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i4n s ASP 113 N -1.42 5.95 -0.25 4.04 -1.08 -1.26 -4.85 116.67 117.79 3i4n s ASP 113 Ca 0.49 2.25 0.16 0.00 -0.52 0.00 0.00 52.55 54.93 3i4n s ASP 113 Cb 0.39 -2.59 0.48 0.00 -1.46 0.00 0.00 42.92 39.74 3i4n s ASP 113 CO 0.12 -1.07 1.15 0.00 0.52 0.00 0.00 175.17 175.89 3i4n n GLN 114 N -0.88 2.39 0.00 4.34 6.02 -1.26 -4.70 117.38 123.29 3i4n n GLN 114 Ca 0.09 -3.68 0.00 0.00 -0.01 0.00 0.00 57.00 53.41 3i4n n GLN 114 Cb 0.49 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.97 3i4n n GLN 114 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 3i4n n LYS 115 N -0.61 0.00 -2.59 -1.09 5.02 -1.26 -5.14 118.16 112.49 3i4n n LYS 115 Ca 0.23 0.00 -0.07 0.00 -2.02 0.00 0.00 58.31 56.45 3i4n n LYS 115 Cb 0.89 -0.35 -0.01 0.00 -0.02 0.00 0.00 35.03 35.53 3i4n n LYS 115 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3i4n n ASN 116 N -1.22 2.30 0.00 4.39 3.02 -1.26 -5.31 115.26 117.18 3i4n n ASN 116 Ca 0.00 -1.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.05 3i4n n ASN 116 Cb 0.00 0.08 0.00 0.00 -0.61 0.00 0.00 39.78 39.25 3i4n n ASN 116 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93