#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i9p h PRO 11 N 0.00 0.00 -4.06 0.00 0.13 -1.89 -3.43 132.00 122.74 3i9p h PRO 11 Ca 0.00 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.68 3i9p h PRO 11 Cb 0.00 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 30.78 3i9p h PRO 11 CO 0.00 0.22 -0.78 -1.17 -0.23 0.00 0.00 178.00 176.03 3i9p s LEU 12 N -6.61 1.17 0.01 1.56 2.96 -1.26 0.54 118.68 117.05 3i9p s LEU 12 Ca 0.02 -0.18 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 3i9p s LEU 12 Cb 0.09 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.19 3i9p s LEU 12 CO 0.65 -0.09 -0.10 -0.32 -1.32 0.00 0.00 176.35 175.17 3i9p s MET 13 N 1.29 0.72 -0.14 1.98 -2.45 0.16 -4.32 119.30 116.53 3i9p s MET 13 Ca -0.05 -0.48 0.01 0.00 -1.25 0.00 0.00 55.69 53.93 3i9p s MET 13 Cb -0.14 -0.67 0.00 0.00 1.25 0.00 0.00 34.83 35.27 3i9p s MET 13 CO -0.02 0.17 -0.19 0.08 1.05 0.00 0.00 175.02 176.11 3i9p s VAL 14 N -0.53 2.37 -0.08 10.11 1.01 -0.88 -0.13 120.40 132.26 3i9p s VAL 14 Ca 0.01 -0.88 0.05 0.00 0.00 0.00 0.00 61.98 61.16 3i9p s VAL 14 Cb -0.05 -1.97 -0.00 0.00 0.00 0.00 0.00 36.38 34.35 3i9p s VAL 14 CO 0.00 0.53 -0.24 -0.75 0.00 0.00 0.00 175.10 174.64 3i9p s LYS 15 N 0.78 2.83 -0.06 2.72 2.20 0.04 -0.03 119.74 128.21 3i9p s LYS 15 Ca -0.07 -0.88 0.02 0.00 -0.36 0.00 0.00 55.97 54.68 3i9p s LYS 15 Cb -0.16 -2.23 0.01 0.00 -1.51 0.00 0.00 37.83 33.95 3i9p s LYS 15 CO -0.00 0.26 -0.13 0.08 -0.36 0.00 0.00 175.35 175.20 3i9p s VAL 16 N 0.15 1.18 0.12 4.02 1.01 0.14 -0.36 120.40 126.66 3i9p s VAL 16 Ca -0.13 -0.51 0.10 0.00 0.00 0.00 0.00 61.98 61.45 3i9p s VAL 16 Cb -0.16 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 3i9p s VAL 16 CO 0.07 0.36 -0.25 -0.76 0.00 0.00 0.00 175.10 174.52 3i9p s LEU 17 N 0.61 2.41 -0.35 3.92 1.43 0.10 -0.31 118.68 126.50 3i9p s LEU 17 Ca -0.14 -0.70 -0.08 0.00 -1.03 0.00 0.00 54.13 52.19 3i9p s LEU 17 Cb -0.16 -1.30 0.04 0.00 0.03 0.00 0.00 46.19 44.80 3i9p s LEU 17 CO 0.04 0.18 0.13 -0.62 0.23 0.00 0.00 176.35 176.31 3i9p s ASP 18 N -2.05 5.42 0.11 2.29 -1.08 0.12 -0.47 116.67 121.02 3i9p s ASP 18 Ca 0.15 -1.10 0.24 0.00 -0.52 0.00 0.00 52.55 51.32 3i9p s ASP 18 Cb -0.10 -1.91 0.93 0.00 -1.46 0.00 0.00 42.92 40.38 3i9p s ASP 18 CO 0.07 -0.34 1.74 0.00 0.52 0.00 0.00 175.17 177.15 3i9p n ALA 19 N 4.86 2.02 -0.07 3.66 0.00 0.11 -0.54 120.51 130.55 3i9p n ALA 19 Ca -0.12 -0.03 -0.20 0.00 0.00 0.00 0.00 53.44 53.09 3i9p n ALA 19 Cb 0.45 -1.40 -0.13 0.00 0.00 0.00 0.00 19.45 18.38 3i9p n ALA 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i9p h VAL 20 N 0.00 1.17 0.00 0.00 2.07 -1.94 -3.38 116.25 114.17 3i9p h VAL 20 Ca 0.00 -2.28 0.00 0.00 0.82 0.00 0.00 66.70 65.24 3i9p h VAL 20 Cb 0.48 2.66 0.00 0.00 -1.52 0.00 0.00 31.29 32.91 3i9p h VAL 20 CO 0.00 0.50 -0.81 0.54 0.02 0.00 0.00 177.57 177.81 3i9p n ARG 21 N -4.34 0.24 -2.88 1.57 3.00 -1.23 -4.98 116.66 108.04 3i9p n ARG 21 Ca -0.24 0.03 -0.11 0.00 -0.01 0.00 0.00 57.85 57.51 3i9p n ARG 21 Cb 0.69 -1.61 0.06 0.00 0.00 0.00 0.00 32.46 31.60 3i9p n ARG 21 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3i9p n GLY 22 N 1.38 -0.15 3.22 -0.13 0.00 0.29 -5.03 105.19 104.78 3i9p n GLY 22 Ca 0.03 -0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 3i9p n GLY 22 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i9p s SER 23 N -3.78 0.04 0.44 1.61 1.04 -0.96 -4.99 113.70 107.11 3i9p s SER 23 Ca 0.05 -0.55 -0.24 0.00 0.48 0.00 0.00 55.95 55.69 3i9p s SER 23 Cb -0.01 0.36 -0.09 0.00 0.10 0.00 0.00 66.02 66.38 3i9p s SER 23 CO 0.48 -0.73 1.16 -0.81 0.98 0.00 0.00 173.24 174.31 3i9p n PRO 24 N -0.00 1.62 -2.85 4.02 -0.04 -1.26 0.14 135.00 136.63 3i9p n PRO 24 Ca -0.16 0.58 -0.43 0.00 -0.04 0.00 0.00 63.50 63.45 3i9p n PRO 24 Cb 0.62 -2.25 -0.04 0.00 -0.04 0.00 0.00 33.50 31.79 3i9p n PRO 24 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i9p s ALA 25 N -1.25 3.21 0.02 0.55 0.00 0.57 -4.55 121.76 120.31 3i9p s ALA 25 Ca 0.64 -1.00 -0.01 0.00 0.00 0.00 0.00 51.96 51.59 3i9p s ALA 25 Cb -0.51 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 18.91 3i9p s ALA 25 CO 0.56 -2.17 0.17 0.96 0.00 0.00 0.00 175.76 175.29 3i9p s ILE 26 N 3.76 5.25 -1.13 0.00 -5.25 -1.26 -4.20 121.20 118.37 3i9p s ILE 26 Ca 0.33 -0.33 0.00 0.00 -0.99 0.00 0.00 60.65 59.67 3i9p s ILE 26 Cb -0.11 -3.49 0.00 0.00 2.95 0.00 0.00 42.46 41.80 3i9p s ILE 26 CO 0.23 0.24 0.00 -3.20 -1.79 0.00 0.00 174.94 170.42 3i9p n ASN 27 N 0.70 -4.11 -4.66 4.36 5.15 0.12 -4.94 115.26 111.86 3i9p n ASN 27 Ca -0.09 0.15 -0.42 0.00 -0.60 0.00 0.00 54.58 53.63 3i9p n ASN 27 Cb 0.52 -2.96 -0.03 0.00 -0.53 0.00 0.00 39.78 36.78 3i9p n ASN 27 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3i9p s VAL 28 N -2.50 4.81 0.24 3.44 1.01 -1.26 -4.72 120.40 121.42 3i9p s VAL 28 Ca 0.00 1.76 -0.30 0.00 0.00 0.00 0.00 61.98 63.44 3i9p s VAL 28 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.09 3i9p s VAL 28 CO 0.00 -0.04 1.36 0.00 0.00 0.00 0.00 175.10 176.42 3i9p s ALA 29 N 2.52 3.57 -0.05 5.51 0.00 -1.26 -0.99 121.76 131.06 3i9p s ALA 29 Ca 0.40 1.22 0.00 0.00 0.00 0.00 0.00 51.96 53.58 3i9p s ALA 29 Cb -0.16 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.47 3i9p s ALA 29 CO 0.10 -0.63 -0.02 0.08 0.00 0.00 0.00 175.76 175.29 3i9p s VAL 30 N -0.09 0.40 -0.12 0.00 1.01 0.24 -0.11 120.40 121.73 3i9p s VAL 30 Ca 0.57 -0.01 0.03 0.00 0.00 0.00 0.00 61.98 62.57 3i9p s VAL 30 Cb -0.39 -0.48 0.01 0.00 0.00 0.00 0.00 36.38 35.52 3i9p s VAL 30 CO 0.42 0.21 -0.22 -1.00 0.00 0.00 0.00 175.10 174.51 3i9p s HIS 31 N 1.20 2.57 -0.14 5.22 3.76 0.65 -1.20 115.29 127.35 3i9p s HIS 31 Ca -0.07 -1.21 -0.05 0.00 -0.15 0.00 0.00 55.06 53.59 3i9p s HIS 31 Cb -0.14 -1.74 -0.04 0.00 1.11 0.00 0.00 32.58 31.78 3i9p s HIS 31 CO -0.02 -0.53 0.03 0.08 -0.85 0.00 0.00 174.74 173.45 3i9p s VAL 32 N 0.66 4.49 0.09 -0.90 1.01 0.32 0.21 120.40 126.28 3i9p s VAL 32 Ca -0.11 -0.16 0.08 0.00 0.00 0.00 0.00 61.98 61.80 3i9p s VAL 32 Cb -0.16 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 3i9p s VAL 32 CO 0.02 0.52 -0.21 -0.36 0.00 0.00 0.00 175.10 175.07 3i9p s PHE 33 N -0.11 1.83 -0.08 5.22 0.08 0.16 -0.27 117.98 124.81 3i9p s PHE 33 Ca 0.05 -0.41 0.01 0.00 0.12 0.00 0.00 56.93 56.70 3i9p s PHE 33 Cb -0.12 -1.02 -0.03 0.00 -0.57 0.00 0.00 43.02 41.28 3i9p s PHE 33 CO 0.02 0.19 -0.09 0.50 -0.10 0.00 0.00 175.22 175.74 3i9p s ARG 34 N -1.78 2.86 -0.07 0.44 3.52 0.11 -0.08 118.95 123.95 3i9p s ARG 34 Ca 0.07 -0.60 -0.30 0.00 -0.13 0.00 0.00 55.73 54.77 3i9p s ARG 34 Cb -0.10 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.68 3i9p s ARG 34 CO 0.04 0.56 1.48 0.21 -0.81 0.00 0.00 175.30 176.78 3i9p s LYS 35 N -0.53 4.22 0.83 5.12 2.20 0.54 -1.15 119.74 130.97 3i9p s LYS 35 Ca 0.08 1.99 -0.12 0.00 -0.36 0.00 0.00 55.97 57.55 3i9p s LYS 35 Cb -0.12 -3.83 0.09 0.00 -1.51 0.00 0.00 37.83 32.46 3i9p s LYS 35 CO 0.02 -0.75 1.16 0.00 -0.36 0.00 0.00 175.35 175.42 3i9p s ALA 36 N 3.52 2.42 0.33 3.13 0.00 0.45 -4.72 121.76 126.88 3i9p s ALA 36 Ca 0.66 -0.56 0.04 0.00 0.00 0.00 0.00 51.96 52.09 3i9p s ALA 36 Cb -0.30 -2.99 0.65 0.00 0.00 0.00 0.00 23.12 20.49 3i9p s ALA 36 CO 0.24 -1.79 1.90 0.00 0.00 0.00 0.00 175.76 176.11 3i9p h ALA 37 N -1.14 1.64 -0.17 0.00 0.00 -1.95 0.20 119.26 117.84 3i9p h ALA 37 Ca -0.47 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 3i9p h ALA 37 Cb 1.32 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 3i9p h ALA 37 CO 0.64 0.19 0.08 -0.40 0.00 0.00 0.00 179.25 179.76 3i9p n ASP 38 N -4.52 2.66 -3.68 0.00 3.85 -1.26 -4.89 116.55 108.72 3i9p n ASP 38 Ca 0.15 -2.27 -0.29 0.00 -0.71 0.00 0.00 54.79 51.67 3i9p n ASP 38 Cb 0.30 -0.56 -0.05 0.00 -1.35 0.00 0.00 41.12 39.46 3i9p n ASP 38 CO 0.00 0.00 0.00 -0.90 -1.01 0.00 0.00 177.20 175.29 3i9p n ASP 39 N 0.15 -1.40 -4.90 -1.12 3.85 0.06 -4.99 116.55 108.20 3i9p n ASP 39 Ca 0.10 -0.74 -0.29 0.00 -0.71 0.00 0.00 54.79 53.14 3i9p n ASP 39 Cb 0.62 -1.25 -0.04 0.00 -1.35 0.00 0.00 41.12 39.11 3i9p n ASP 39 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.20 176.61 3i9p s THR 40 N -2.65 5.02 -0.34 2.12 -4.23 -1.26 -4.84 115.64 109.47 3i9p s THR 40 Ca 0.56 0.12 -0.25 0.00 -1.18 0.00 0.00 61.69 60.94 3i9p s THR 40 Cb -0.33 -3.71 0.01 0.00 1.34 0.00 0.00 72.50 69.82 3i9p s THR 40 CO 0.68 -0.25 0.90 0.26 -0.54 0.00 0.00 174.62 175.67 3i9p s TRP 41 N -2.01 3.14 -0.24 3.99 0.52 -1.26 -0.41 118.94 122.67 3i9p s TRP 41 Ca 0.44 0.85 -0.09 0.00 0.02 0.00 0.00 56.10 57.32 3i9p s TRP 41 Cb -0.11 -3.49 -0.04 0.00 -1.15 0.00 0.00 33.47 28.68 3i9p s TRP 41 CO 0.28 -0.72 0.13 -1.21 0.02 0.00 0.00 176.95 175.45 3i9p s GLU 42 N 3.30 3.97 0.39 4.98 2.02 -0.30 -4.93 118.70 128.13 3i9p s GLU 42 Ca 0.37 -0.32 -0.26 0.00 0.02 0.00 0.00 54.97 54.78 3i9p s GLU 42 Cb -0.13 -3.46 -0.11 0.00 0.10 0.00 0.00 34.13 30.53 3i9p s GLU 42 CO 0.16 0.03 1.12 -2.30 0.02 0.00 0.00 175.26 174.28 3i9p n PRO 43 N 4.35 1.62 0.00 0.39 -0.02 -1.26 -0.71 135.00 139.37 3i9p n PRO 43 Ca -0.15 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 3i9p n PRO 43 Cb 0.52 -2.14 0.00 0.00 -0.02 0.00 0.00 33.50 31.86 3i9p n PRO 43 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3i9p n PHE 44 N -0.17 0.00 -3.48 6.00 7.35 0.62 -4.77 117.46 123.02 3i9p n PHE 44 Ca 0.08 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.67 3i9p n PHE 44 Cb 0.38 0.20 -0.02 0.00 0.35 0.00 0.00 39.48 40.38 3i9p n PHE 44 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i9p s ALA 45 N -1.81 -1.75 0.20 3.13 0.00 -0.88 -5.00 121.76 115.65 3i9p s ALA 45 Ca 0.00 0.88 -0.23 0.00 0.00 0.00 0.00 51.96 52.61 3i9p s ALA 45 Cb 0.00 0.49 0.05 0.00 0.00 0.00 0.00 23.12 23.66 3i9p s ALA 45 CO 0.00 -0.67 0.80 -1.54 0.00 0.00 0.00 175.76 174.35 3i9p s SER 46 N -2.42 -0.28 -0.02 0.00 1.04 -1.26 0.12 113.70 110.88 3i9p s SER 46 Ca 0.02 -0.41 -0.10 0.00 0.48 0.00 0.00 55.95 55.93 3i9p s SER 46 Cb -0.01 0.60 0.03 0.00 0.10 0.00 0.00 66.02 66.75 3i9p s SER 46 CO -0.09 -1.09 0.47 0.61 0.98 0.00 0.00 173.24 174.12 3i9p n GLY 47 N -0.44 0.38 3.21 7.32 0.00 -0.34 -4.96 105.19 110.36 3i9p n GLY 47 Ca -0.07 -0.89 -0.28 0.00 0.00 0.00 0.00 46.02 44.79 3i9p n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i9p s LYS 48 N -2.00 1.85 0.46 1.61 1.02 -1.26 -0.59 119.74 120.83 3i9p s LYS 48 Ca 0.11 -0.73 -0.25 0.00 0.02 0.00 0.00 55.97 55.12 3i9p s LYS 48 Cb -0.00 -1.70 -0.08 0.00 -0.52 0.00 0.00 37.83 35.53 3i9p s LYS 48 CO -0.01 0.38 1.36 0.25 -0.92 0.00 0.00 175.35 176.42 3i9p n THR 49 N 2.78 2.93 -1.45 2.17 -2.24 -0.16 -4.73 114.28 113.59 3i9p n THR 49 Ca -0.16 -0.50 -0.17 0.00 -2.27 0.00 0.00 64.05 60.94 3i9p n THR 49 Cb 0.53 -1.71 0.13 0.00 -2.10 0.00 0.00 70.33 67.17 3i9p n THR 49 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 3i9p n SER 50 N -0.23 -0.17 0.03 3.42 3.41 0.27 -0.71 113.62 119.64 3i9p n SER 50 Ca 0.07 -1.23 0.06 0.00 -0.26 0.00 0.00 58.87 57.51 3i9p n SER 50 Cb 0.42 -0.60 0.27 0.00 -0.26 0.00 0.00 64.21 64.03 3i9p n SER 50 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i9p n GLU 51 N -2.78 0.04 -0.19 4.33 -0.58 -1.26 -0.38 120.64 119.82 3i9p n GLU 51 Ca 0.10 0.37 0.10 0.00 -0.42 0.00 0.00 57.16 57.31 3i9p n GLU 51 Cb 0.34 -1.58 0.27 0.00 -0.57 0.00 0.00 31.44 29.90 3i9p n GLU 51 CO 0.00 0.00 0.00 -1.13 -0.48 0.00 0.00 177.13 175.52 3i9p n SER 52 N -1.65 2.65 -0.33 1.62 3.41 -1.26 -4.76 113.62 113.28 3i9p n SER 52 Ca 0.02 -1.91 -0.04 0.00 -0.26 0.00 0.00 58.87 56.67 3i9p n SER 52 Cb 0.12 -0.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.81 3i9p n SER 52 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3i9p n GLY 53 N 1.32 0.69 3.61 5.00 0.00 0.49 -4.76 105.19 111.55 3i9p n GLY 53 Ca 0.18 -0.44 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 3i9p n GLY 53 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i9p s GLU 54 N -1.84 2.23 -0.22 1.61 2.02 -1.26 0.27 118.70 121.51 3i9p s GLU 54 Ca 0.00 -1.01 -0.01 0.00 0.02 0.00 0.00 54.97 53.97 3i9p s GLU 54 Cb 0.00 -2.35 0.06 0.00 0.10 0.00 0.00 34.13 31.94 3i9p s GLU 54 CO 0.00 0.51 0.00 -1.17 0.02 0.00 0.00 175.26 174.62 3i9p s LEU 55 N -2.32 1.89 0.36 1.80 2.96 0.95 0.93 118.68 125.26 3i9p s LEU 55 Ca 0.23 -1.05 0.08 0.00 -0.22 0.00 0.00 54.13 53.17 3i9p s LEU 55 Cb -0.11 -0.88 -0.03 0.00 0.50 0.00 0.00 46.19 45.67 3i9p s LEU 55 CO 0.15 -0.29 0.24 -1.00 -1.32 0.00 0.00 176.35 174.14 3i9p s HIS 56 N 1.63 2.77 -0.71 5.38 3.76 -1.26 -2.07 115.29 124.80 3i9p s HIS 56 Ca -0.02 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.50 3i9p s HIS 56 Cb -0.18 -1.82 0.00 0.00 1.11 0.00 0.00 32.58 31.69 3i9p s HIS 56 CO -0.08 0.18 0.00 0.41 -0.85 0.00 0.00 174.74 174.40 3i9p n GLY 57 N -1.31 0.37 0.23 -2.22 0.00 -1.26 -4.92 105.19 96.08 3i9p n GLY 57 Ca -0.01 -0.61 -0.10 0.00 0.00 0.00 0.00 46.02 45.30 3i9p n GLY 57 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3i9p h LEU 58 N 0.00 0.72 -8.28 0.99 3.38 -1.85 -3.48 115.31 106.79 3i9p h LEU 58 Ca -0.17 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 57.29 3i9p h LEU 58 Cb 0.91 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.42 3i9p h LEU 58 CO 0.22 1.07 0.03 0.28 0.09 0.00 0.00 178.44 180.13 3i9p s THR 59 N -4.19 0.00 0.20 0.22 -1.32 -1.26 -4.75 115.64 104.54 3i9p s THR 59 Ca -0.08 -1.32 0.07 0.00 -1.21 0.00 0.00 61.69 59.15 3i9p s THR 59 Cb 0.12 -2.78 -0.05 0.00 -1.51 0.00 0.00 72.50 68.28 3i9p s THR 59 CO 0.85 0.00 -0.12 0.42 -2.21 0.00 0.00 174.62 173.56 3i9p s THR 60 N -2.64 1.55 0.57 5.08 -4.23 -1.26 -4.46 115.64 110.25 3i9p s THR 60 Ca 0.24 -2.16 0.25 0.00 -1.18 0.00 0.00 61.69 58.84 3i9p s THR 60 Cb -0.03 -2.06 0.33 0.00 1.34 0.00 0.00 72.50 72.09 3i9p s THR 60 CO 0.17 -0.59 2.19 -0.33 -0.54 0.00 0.00 174.62 175.52 3i9p h GLU 61 N 2.58 0.00 0.05 3.99 4.39 -1.98 0.23 114.58 123.85 3i9p h GLU 61 Ca -0.38 0.00 -0.17 0.00 0.34 0.00 0.00 59.36 59.15 3i9p h GLU 61 Cb 1.21 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.88 3i9p h GLU 61 CO 0.63 0.00 -0.71 1.05 -1.16 0.00 0.00 179.01 178.82 3i9p h GLU 62 N 0.00 0.38 0.00 2.33 9.09 -2.03 -3.35 114.58 121.01 3i9p h GLU 62 Ca 0.02 -0.48 -0.19 0.00 0.05 0.00 0.00 59.36 58.76 3i9p h GLU 62 Cb 0.11 0.15 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 3i9p h GLU 62 CO -0.00 1.16 -0.87 1.49 0.05 0.00 0.00 179.01 180.85 3i9p h GLU 63 N -0.17 0.14 -4.05 1.06 4.81 -1.83 -3.38 114.58 111.16 3i9p h GLU 63 Ca -0.10 -0.15 -0.72 0.00 -0.13 0.00 0.00 59.36 58.26 3i9p h GLU 63 Cb 1.45 0.05 -0.07 0.00 0.63 0.00 0.00 28.75 30.81 3i9p h GLU 63 CO 0.14 0.92 2.83 0.34 -0.73 0.00 0.00 179.01 182.50 3i9p n PHE 64 N -3.63 3.53 -2.32 0.92 7.35 0.78 -4.94 117.46 119.15 3i9p n PHE 64 Ca -0.03 -2.94 -0.31 0.00 -0.76 0.00 0.00 57.45 53.41 3i9p n PHE 64 Cb 0.80 -2.44 -0.02 0.00 0.35 0.00 0.00 39.48 38.18 3i9p n PHE 64 CO 0.00 0.00 0.00 0.08 -0.76 0.00 0.00 176.76 176.08 3i9p s VAL 65 N 2.70 4.67 0.48 -2.13 1.01 -1.26 -4.91 120.40 120.95 3i9p s VAL 65 Ca 0.46 0.91 -0.22 0.00 0.00 0.00 0.00 61.98 63.13 3i9p s VAL 65 Cb 0.12 -3.79 -0.10 0.00 0.00 0.00 0.00 36.38 32.62 3i9p s VAL 65 CO -0.06 -0.83 0.77 -0.62 0.00 0.00 0.00 175.10 174.36 3i9p n GLU 66 N -1.98 0.89 -3.91 2.72 1.02 -1.26 -4.88 120.64 113.23 3i9p n GLU 66 Ca 0.05 0.33 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 3i9p n GLU 66 Cb 0.54 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.13 3i9p n GLU 66 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i9p n GLY 67 N 1.49 -2.47 3.62 0.62 0.00 -1.20 -4.97 105.19 102.28 3i9p n GLY 67 Ca 0.11 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.51 3i9p n GLY 67 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9p s ILE 68 N -2.23 4.79 0.07 -0.61 1.01 -1.26 -0.23 121.20 122.74 3i9p s ILE 68 Ca 0.00 -0.03 0.09 0.00 0.00 0.00 0.00 60.65 60.71 3i9p s ILE 68 Cb 0.00 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.27 3i9p s ILE 68 CO 0.00 0.44 -0.25 -0.31 0.00 0.00 0.00 174.94 174.82 3i9p s TYR 69 N 0.55 2.17 -0.10 3.97 2.02 0.96 -0.34 117.35 126.59 3i9p s TYR 69 Ca 0.04 -0.40 0.04 0.00 -0.37 0.00 0.00 57.07 56.38 3i9p s TYR 69 Cb -0.13 -1.26 -0.00 0.00 -0.40 0.00 0.00 41.96 40.18 3i9p s TYR 69 CO 0.01 0.19 -0.24 0.21 -1.57 0.00 0.00 175.55 174.14 3i9p s LYS 70 N -1.52 3.01 -0.26 -0.62 2.20 0.88 -0.85 119.74 122.58 3i9p s LYS 70 Ca 0.11 -0.88 -0.06 0.00 -0.36 0.00 0.00 55.97 54.78 3i9p s LYS 70 Cb -0.10 -2.29 -0.00 0.00 -1.51 0.00 0.00 37.83 33.93 3i9p s LYS 70 CO 0.03 0.20 0.03 0.08 -0.36 0.00 0.00 175.35 175.33 3i9p s VAL 71 N 0.30 3.78 -0.23 4.02 1.01 0.17 0.40 120.40 129.85 3i9p s VAL 71 Ca -0.18 -0.58 -0.07 0.00 0.00 0.00 0.00 61.98 61.16 3i9p s VAL 71 Cb -0.18 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.32 3i9p s VAL 71 CO 0.09 0.22 0.05 -0.70 0.00 0.00 0.00 175.10 174.75 3i9p s GLU 72 N 1.50 3.65 -0.24 2.72 2.12 0.13 -0.30 118.70 128.29 3i9p s GLU 72 Ca 0.04 -0.49 -0.06 0.00 0.36 0.00 0.00 54.97 54.83 3i9p s GLU 72 Cb -0.16 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 30.97 3i9p s GLU 72 CO 0.01 -0.11 0.02 0.42 -0.54 0.00 0.00 175.26 175.05 3i9p s ILE 73 N 1.38 3.84 -1.12 -3.70 1.01 0.15 -0.25 121.20 122.51 3i9p s ILE 73 Ca 0.05 -0.37 -0.18 0.00 0.00 0.00 0.00 60.65 60.15 3i9p s ILE 73 Cb -0.15 -2.79 -0.06 0.00 0.01 0.00 0.00 42.46 39.48 3i9p s ILE 73 CO 0.03 0.36 2.05 -0.67 0.00 0.00 0.00 174.94 176.71 3i9p n ASP 74 N 4.86 3.25 -0.06 3.58 -0.08 0.84 -1.12 116.55 127.81 3i9p n ASP 74 Ca -0.17 -2.76 -0.04 0.00 -1.51 0.00 0.00 54.79 50.31 3i9p n ASP 74 Cb 0.51 -1.41 0.18 0.00 2.34 0.00 0.00 41.12 42.74 3i9p n ASP 74 CO 0.00 0.00 0.00 0.71 0.12 0.00 0.00 177.20 178.03 3i9p h THR 75 N 4.38 1.24 -0.08 5.18 1.35 -1.85 -2.92 112.91 120.22 3i9p h THR 75 Ca 0.48 -1.06 0.02 0.00 -0.55 0.00 0.00 66.41 65.30 3i9p h THR 75 Cb 0.68 1.02 -0.02 0.00 -1.73 0.00 0.00 68.15 68.10 3i9p h THR 75 CO 1.88 0.36 -0.04 0.50 -0.25 0.00 0.00 175.52 177.97 3i9p h LYS 76 N 0.63 -0.03 -0.55 4.72 3.64 -1.72 -0.47 116.57 122.80 3i9p h LYS 76 Ca 0.12 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.47 3i9p h LYS 76 Cb 0.51 0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.31 3i9p h LYS 76 CO 0.03 -0.02 0.22 0.77 -2.27 0.00 0.00 179.45 178.18 3i9p h SER 77 N -0.03 0.72 0.34 4.20 0.02 -1.84 0.24 113.55 117.21 3i9p h SER 77 Ca 0.05 -0.09 -0.01 0.00 -0.84 0.00 0.00 61.79 60.90 3i9p h SER 77 Cb 0.10 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 3i9p h SER 77 CO -0.10 0.65 -0.23 0.22 -1.14 0.00 0.00 176.83 176.22 3i9p h TYR 78 N 0.79 -0.61 -0.71 3.45 3.20 -1.20 0.55 116.97 122.43 3i9p h TYR 78 Ca 0.19 -0.00 -0.06 0.00 3.14 0.00 0.00 58.73 62.00 3i9p h TYR 78 Cb 0.15 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.62 3i9p h TYR 78 CO 0.01 -0.36 0.21 -1.49 -1.64 0.00 0.00 178.16 174.90 3i9p h TRP 79 N -0.56 1.15 -0.35 -3.82 4.06 -0.65 -2.54 115.95 113.23 3i9p h TRP 79 Ca -0.03 -0.12 0.08 0.00 2.06 0.00 0.00 58.89 60.88 3i9p h TRP 79 Cb 0.48 -0.33 -0.08 0.00 -1.00 0.00 0.00 29.16 28.23 3i9p h TRP 79 CO -0.11 0.92 -0.24 0.87 -3.56 0.00 0.00 178.44 176.32 3i9p h LYS 80 N 1.05 -0.18 -0.04 0.49 1.57 -0.34 -1.17 116.57 117.95 3i9p h LYS 80 Ca 0.23 0.01 0.01 0.00 -1.87 0.00 0.00 60.65 59.03 3i9p h LYS 80 Cb 0.31 0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 3i9p h LYS 80 CO -0.01 -0.12 0.04 0.00 -0.57 0.00 0.00 179.45 178.79 3i9p h ALA 81 N 0.97 1.64 0.00 3.86 0.00 -0.49 -1.05 119.26 124.19 3i9p h ALA 81 Ca 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.08 3i9p h ALA 81 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3i9p h ALA 81 CO -0.47 -0.06 -0.27 -0.07 0.00 0.00 0.00 179.25 178.39 3i9p h LEU 82 N 0.00 0.00 -0.13 0.00 4.07 -0.92 -3.48 115.31 114.86 3i9p h LEU 82 Ca 0.02 -0.06 0.00 0.00 0.08 0.00 0.00 57.88 57.92 3i9p h LEU 82 Cb 0.09 0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.83 3i9p h LEU 82 CO -0.00 0.03 0.00 0.61 -1.08 0.00 0.00 178.44 178.00 3i9p n GLY 83 N 1.25 0.50 3.14 0.83 0.00 -0.40 -5.06 105.19 105.44 3i9p n GLY 83 Ca 0.04 -0.83 -0.29 0.00 0.00 0.00 0.00 46.02 44.93 3i9p n GLY 83 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i9p s ILE 84 N -2.13 1.72 -0.09 -0.61 1.01 -0.54 -5.03 121.20 115.53 3i9p s ILE 84 Ca 0.00 -0.81 -0.29 0.00 0.00 0.00 0.00 60.65 59.55 3i9p s ILE 84 Cb 0.00 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.89 3i9p s ILE 84 CO 0.00 0.48 1.83 -0.44 0.00 0.00 0.00 174.94 176.81 3i9p s SER 85 N 0.58 6.35 0.32 3.58 0.01 -1.26 -3.86 113.70 119.42 3i9p s SER 85 Ca -0.15 2.17 -0.01 0.00 1.31 0.00 0.00 55.95 59.28 3i9p s SER 85 Cb -0.17 -2.53 -0.04 0.00 0.21 0.00 0.00 66.02 63.50 3i9p s SER 85 CO 0.05 -1.20 0.53 -2.16 0.41 0.00 0.00 173.24 170.87 3i9p s PRO 86 N 4.67 3.52 -0.17 12.44 0.04 -1.26 -4.75 135.00 149.48 3i9p s PRO 86 Ca 0.82 -0.26 -0.24 0.00 0.04 0.00 0.00 61.00 61.35 3i9p s PRO 86 Cb -0.34 -2.68 -0.22 0.00 0.04 0.00 0.00 34.50 31.30 3i9p s PRO 86 CO 0.34 0.19 0.46 0.35 0.04 0.00 0.00 177.00 178.38 3i9p h PHE 87 N 1.07 0.02 -3.76 0.56 3.57 -0.72 -3.48 116.94 114.20 3i9p h PHE 87 Ca -0.49 -0.02 -0.49 0.00 3.53 0.00 0.00 57.97 60.51 3i9p h PHE 87 Cb 1.21 -0.00 -0.03 0.00 2.79 0.00 0.00 35.95 39.92 3i9p h PHE 87 CO 0.53 1.29 0.19 -1.01 -2.23 0.00 0.00 178.31 177.08 3i9p s HIS 88 N -2.31 3.51 0.30 0.41 0.09 -1.26 -4.95 115.29 111.09 3i9p s HIS 88 Ca -0.24 1.45 0.06 0.00 -0.00 0.00 0.00 55.06 56.33 3i9p s HIS 88 Cb 0.02 -2.69 0.49 0.00 -0.00 0.00 0.00 32.58 30.40 3i9p s HIS 88 CO 0.64 0.16 1.73 0.93 -0.00 0.00 0.00 174.74 178.20 3i9p h GLU 89 N 2.74 0.28 -2.41 1.40 4.39 -1.97 -3.36 114.58 115.64 3i9p h GLU 89 Ca -0.48 -0.12 0.21 0.00 0.34 0.00 0.00 59.36 59.31 3i9p h GLU 89 Cb 1.18 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 3i9p h GLU 89 CO 0.64 0.60 0.66 -3.38 -1.16 0.00 0.00 179.01 176.38 3i9p s HIS 90 N -4.26 0.05 -0.21 4.33 -3.43 -1.26 -3.56 115.29 106.95 3i9p s HIS 90 Ca -0.05 -0.38 -0.02 0.00 -0.80 0.00 0.00 55.06 53.81 3i9p s HIS 90 Cb 0.14 0.66 0.00 0.00 -1.43 0.00 0.00 32.58 31.95 3i9p s HIS 90 CO 0.77 -0.76 -0.09 0.00 -2.00 0.00 0.00 174.74 172.67 3i9p s ALA 91 N -2.16 2.67 -0.11 -1.38 0.00 -0.28 -4.85 121.76 115.66 3i9p s ALA 91 Ca 0.23 -1.23 -0.03 0.00 0.00 0.00 0.00 51.96 50.94 3i9p s ALA 91 Cb -0.02 -1.57 -0.03 0.00 0.00 0.00 0.00 23.12 21.50 3i9p s ALA 91 CO 0.04 -0.47 0.00 -1.21 0.00 0.00 0.00 175.76 174.12 3i9p s GLU 92 N 1.41 3.20 -0.13 0.00 2.02 -1.26 0.35 118.70 124.29 3i9p s GLU 92 Ca 0.05 -0.42 -0.00 0.00 0.02 0.00 0.00 54.97 54.62 3i9p s GLU 92 Cb -0.14 -2.86 0.02 0.00 0.10 0.00 0.00 34.13 31.26 3i9p s GLU 92 CO -0.06 0.58 -0.10 0.08 0.02 0.00 0.00 175.26 175.78 3i9p s VAL 93 N -0.54 1.23 -0.10 2.63 1.01 0.60 -4.96 120.40 120.26 3i9p s VAL 93 Ca 0.09 -0.42 0.03 0.00 0.00 0.00 0.00 61.98 61.69 3i9p s VAL 93 Cb -0.12 -1.20 0.01 0.00 0.00 0.00 0.00 36.38 35.06 3i9p s VAL 93 CO 0.02 0.40 -0.21 -0.69 0.00 0.00 0.00 175.10 174.63 3i9p s VAL 94 N 1.61 1.85 0.04 2.92 1.01 -1.26 0.44 120.40 127.01 3i9p s VAL 94 Ca 0.05 -0.88 -0.21 0.00 0.00 0.00 0.00 61.98 60.93 3i9p s VAL 94 Cb -0.13 -1.63 0.05 0.00 0.00 0.00 0.00 36.38 34.68 3i9p s VAL 94 CO -0.09 0.51 0.49 0.72 0.00 0.00 0.00 175.10 176.74 3i9p s PHE 95 N 0.56 -0.39 -0.13 5.22 -0.71 -0.03 -4.98 117.98 117.53 3i9p s PHE 95 Ca -0.14 0.45 -0.21 0.00 -1.04 0.00 0.00 56.93 55.98 3i9p s PHE 95 Cb -0.17 0.30 -0.03 0.00 -1.21 0.00 0.00 43.02 41.91 3i9p s PHE 95 CO 0.05 -0.61 0.62 0.99 -1.34 0.00 0.00 175.22 174.93 3i9p s THR 96 N -2.30 5.07 -0.24 -4.49 2.01 -1.26 -0.03 115.64 114.40 3i9p s THR 96 Ca -0.06 1.23 -0.28 0.00 0.31 0.00 0.00 61.69 62.89 3i9p s THR 96 Cb -0.01 -3.95 0.01 0.00 0.01 0.00 0.00 72.50 68.56 3i9p s THR 96 CO -0.01 0.22 1.00 0.00 -0.69 0.00 0.00 174.62 175.14 3i9p s ALA 97 N 1.17 3.67 0.00 7.40 0.00 0.67 -4.90 121.76 129.77 3i9p s ALA 97 Ca 0.32 0.10 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3i9p s ALA 97 Cb -0.16 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.45 3i9p s ALA 97 CO 0.13 -1.07 0.00 0.27 0.00 0.00 0.00 175.76 175.10 3i9p n ASN 98 N 6.31 0.00 -4.51 0.00 6.94 -1.26 -3.23 115.26 119.50 3i9p n ASN 98 Ca 0.11 0.00 -0.32 0.00 -0.02 0.00 0.00 54.58 54.35 3i9p n ASN 98 Cb 0.46 0.00 0.14 0.00 -2.36 0.00 0.00 39.78 38.02 3i9p n ASN 98 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 3i9p n ASP 99 N -1.68 -1.16 -3.86 0.53 9.92 -1.26 -4.80 116.55 114.25 3i9p n ASP 99 Ca 0.00 0.36 -0.29 0.00 -0.53 0.00 0.00 54.79 54.32 3i9p n ASP 99 Cb 0.00 -1.31 -0.13 0.00 -0.64 0.00 0.00 41.12 39.04 3i9p n ASP 99 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 3i9p s SER 100 N -2.26 4.14 0.00 -2.24 1.04 -1.26 -5.11 113.70 108.01 3i9p s SER 100 Ca 0.61 -3.11 0.00 0.00 0.48 0.00 0.00 55.95 53.93 3i9p s SER 100 Cb -0.22 -1.44 0.00 0.00 0.10 0.00 0.00 66.02 64.47 3i9p s SER 100 CO 0.64 -0.20 0.00 0.61 0.98 0.00 0.00 173.24 175.26 3i9p n GLY 101 N 2.95 1.35 3.79 7.32 0.00 -1.26 -4.98 105.19 114.36 3i9p n GLY 101 Ca 0.10 -2.05 -0.38 0.00 0.00 0.00 0.00 46.02 43.69 3i9p n GLY 101 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i9p s PRO 102 N -1.81 4.43 0.00 1.61 0.04 -1.26 -4.49 135.00 133.52 3i9p s PRO 102 Ca 0.00 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.07 3i9p s PRO 102 Cb 0.00 -3.12 0.00 0.00 0.04 0.00 0.00 34.50 31.42 3i9p s PRO 102 CO 0.00 0.51 0.00 0.54 0.04 0.00 0.00 177.00 178.09 3i9p n ARG 103 N 1.30 0.00 -4.14 4.56 1.74 -1.25 -5.02 116.66 113.86 3i9p n ARG 103 Ca -0.05 0.44 -0.35 0.00 -0.77 0.00 0.00 57.85 57.12 3i9p n ARG 103 Cb 0.50 -0.37 -0.08 0.00 -1.02 0.00 0.00 32.46 31.49 3i9p n ARG 103 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 3i9p s ARG 104 N -2.05 3.16 -0.20 5.56 0.52 0.23 -4.87 118.95 121.30 3i9p s ARG 104 Ca 0.00 -0.34 -0.02 0.00 -0.52 0.00 0.00 55.73 54.85 3i9p s ARG 104 Cb 0.00 -2.94 -0.00 0.00 0.52 0.00 0.00 34.95 32.53 3i9p s ARG 104 CO 0.00 0.71 -0.10 0.71 0.02 0.00 0.00 175.30 176.64 3i9p s TYR 105 N -1.03 2.89 -0.25 -0.53 2.02 0.19 -1.15 117.35 119.48 3i9p s TYR 105 Ca 0.17 -1.10 -0.06 0.00 -0.37 0.00 0.00 57.07 55.71 3i9p s TYR 105 Cb -0.12 -2.02 -0.01 0.00 -0.40 0.00 0.00 41.96 39.42 3i9p s TYR 105 CO 0.06 -0.58 0.03 0.99 -1.57 0.00 0.00 175.55 174.49 3i9p s THR 106 N 1.27 3.85 -0.49 -0.71 2.01 0.64 0.38 115.64 122.58 3i9p s THR 106 Ca 0.03 -0.45 -0.16 0.00 0.31 0.00 0.00 61.69 61.42 3i9p s THR 106 Cb -0.14 -2.84 0.08 0.00 0.01 0.00 0.00 72.50 69.61 3i9p s THR 106 CO -0.05 0.29 0.45 -0.63 -0.69 0.00 0.00 174.62 173.99 3i9p s ILE 107 N 1.53 5.18 -0.13 1.82 -1.09 0.81 -0.03 121.20 129.29 3i9p s ILE 107 Ca 0.05 -1.09 -0.14 0.00 -2.23 0.00 0.00 60.65 57.23 3i9p s ILE 107 Cb -0.15 -4.20 -0.05 0.00 -1.58 0.00 0.00 42.46 36.48 3i9p s ILE 107 CO 0.01 -0.68 0.32 0.00 -1.23 0.00 0.00 174.94 173.36 3i9p s ALA 108 N 1.77 3.61 -0.07 9.38 0.00 0.77 -0.78 121.76 136.43 3i9p s ALA 108 Ca 0.05 -0.40 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3i9p s ALA 108 Cb -0.25 -2.39 0.01 0.00 0.00 0.00 0.00 23.12 20.48 3i9p s ALA 108 CO 0.06 0.17 -0.17 0.00 0.00 0.00 0.00 175.76 175.83 3i9p s ALA 109 N 0.16 1.62 -0.22 0.00 0.00 0.51 -0.39 121.76 123.44 3i9p s ALA 109 Ca 0.19 -0.65 -0.05 0.00 0.00 0.00 0.00 51.96 51.44 3i9p s ALA 109 Cb -0.14 -0.64 -0.02 0.00 0.00 0.00 0.00 23.12 22.32 3i9p s ALA 109 CO 0.06 0.20 0.01 -1.17 0.00 0.00 0.00 175.76 174.86 3i9p s LEU 110 N 0.46 3.18 -0.11 0.00 2.96 0.05 0.03 118.68 125.25 3i9p s LEU 110 Ca -0.14 -0.27 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 3i9p s LEU 110 Cb -0.16 -1.82 -0.02 0.00 0.50 0.00 0.00 46.19 44.68 3i9p s LEU 110 CO 0.05 0.01 -0.09 -0.76 -1.32 0.00 0.00 176.35 174.24 3i9p s LEU 111 N 1.34 2.96 0.20 -0.68 1.43 0.38 -1.21 118.68 123.10 3i9p s LEU 111 Ca 0.04 -0.19 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 3i9p s LEU 111 Cb -0.15 -1.67 -0.05 0.00 0.03 0.00 0.00 46.19 44.36 3i9p s LEU 111 CO 0.01 0.23 -0.05 -0.44 0.23 0.00 0.00 176.35 176.33 3i9p s SER 112 N -0.03 1.90 0.34 2.29 0.01 0.12 0.10 113.70 118.42 3i9p s SER 112 Ca -0.01 -1.13 0.02 0.00 1.31 0.00 0.00 55.95 56.14 3i9p s SER 112 Cb -0.14 -0.01 0.61 0.00 0.21 0.00 0.00 66.02 66.68 3i9p s SER 112 CO 0.03 -0.42 1.98 -0.65 0.41 0.00 0.00 173.24 174.60 3i9p h PRO 113 N 2.59 0.89 -0.17 12.44 0.11 -1.98 -2.94 132.00 142.93 3i9p h PRO 113 Ca -0.38 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3i9p h PRO 113 Cb 1.21 -0.20 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3i9p h PRO 113 CO 0.64 0.59 0.00 0.66 -0.21 0.00 0.00 178.00 179.68 3i9p n TYR 114 N -4.45 0.31 -3.66 0.65 4.01 -1.26 0.06 117.16 112.82 3i9p n TYR 114 Ca 0.09 -0.60 -0.14 0.00 -0.16 0.00 0.00 57.90 57.09 3i9p n TYR 114 Cb 0.10 -0.08 -0.08 0.00 -0.31 0.00 0.00 39.34 38.96 3i9p n TYR 114 CO 0.00 0.00 0.00 0.45 -0.46 0.00 0.00 176.86 176.85 3i9p s SER 115 N -1.31 -0.61 0.04 7.72 0.15 -1.11 -4.95 113.70 113.63 3i9p s SER 115 Ca 0.18 1.11 -0.00 0.00 0.70 0.00 0.00 55.95 57.94 3i9p s SER 115 Cb 0.12 1.12 -0.03 0.00 -1.71 0.00 0.00 66.02 65.52 3i9p s SER 115 CO 0.08 -0.26 -0.03 -0.72 1.20 0.00 0.00 173.24 173.51 3i9p s TYR 116 N 0.10 0.42 0.09 3.44 1.13 -1.26 0.12 117.35 121.39 3i9p s TYR 116 Ca -0.02 -0.77 0.10 0.00 -1.41 0.00 0.00 57.07 54.98 3i9p s TYR 116 Cb -0.04 -0.30 -0.04 0.00 -1.10 0.00 0.00 41.96 40.48 3i9p s TYR 116 CO 0.02 -0.26 -0.27 -1.54 -2.51 0.00 0.00 175.55 170.99 3i9p s SER 117 N -2.15 3.25 0.00 -0.18 1.04 -0.35 -4.97 113.70 110.34 3i9p s SER 117 Ca -0.05 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 55.76 3i9p s SER 117 Cb -0.02 -0.25 -0.02 0.00 0.10 0.00 0.00 66.02 65.84 3i9p s SER 117 CO -0.05 0.21 -0.18 0.28 0.98 0.00 0.00 173.24 174.48 3i9p s THR 118 N -0.95 1.42 -0.02 2.02 -1.32 -1.26 -0.77 115.64 114.76 3i9p s THR 118 Ca 0.13 -0.85 0.01 0.00 -1.21 0.00 0.00 61.69 59.77 3i9p s THR 118 Cb -0.10 -1.20 0.01 0.00 -1.51 0.00 0.00 72.50 69.70 3i9p s THR 118 CO 0.04 0.33 -0.04 -0.89 -2.21 0.00 0.00 174.62 171.85 3i9p s THR 119 N -0.51 0.40 -0.24 5.08 2.01 0.48 -4.98 115.64 117.88 3i9p s THR 119 Ca 0.07 -0.16 -0.09 0.00 0.31 0.00 0.00 61.69 61.81 3i9p s THR 119 Cb -0.07 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 72.02 3i9p s THR 119 CO -0.00 0.14 0.13 0.00 -0.69 0.00 0.00 174.62 174.20 3i9p s ALA 120 N 0.25 3.46 -0.39 7.40 0.00 -1.26 -0.16 121.76 131.05 3i9p s ALA 120 Ca -0.03 -0.95 -0.09 0.00 0.00 0.00 0.00 51.96 50.90 3i9p s ALA 120 Cb -0.06 -2.22 0.06 0.00 0.00 0.00 0.00 23.12 20.90 3i9p s ALA 120 CO -0.00 -0.24 0.21 0.08 0.00 0.00 0.00 175.76 175.80 3i9p s VAL 121 N 1.16 4.15 -0.26 0.00 1.01 0.95 -4.97 120.40 122.45 3i9p s VAL 121 Ca 0.06 -1.25 -0.05 0.00 0.00 0.00 0.00 61.98 60.74 3i9p s VAL 121 Cb -0.14 -3.46 0.00 0.00 0.00 0.00 0.00 36.38 32.78 3i9p s VAL 121 CO 0.05 -0.38 0.02 -0.69 0.00 0.00 0.00 175.10 174.09 3i9p s VAL 122 N 1.43 3.65 0.18 2.92 1.01 -1.26 -0.26 120.40 128.07 3i9p s VAL 122 Ca 0.02 -0.60 0.09 0.00 0.00 0.00 0.00 61.98 61.49 3i9p s VAL 122 Cb -0.21 -2.78 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 3i9p s VAL 122 CO 0.03 0.25 -0.20 0.42 0.00 0.00 0.00 175.10 175.60 3i9p s THR 123 N 1.48 1.98 0.00 3.92 -4.23 -0.30 -4.95 115.64 113.55 3i9p s THR 123 Ca 0.04 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.58 3i9p s THR 123 Cb -0.16 -1.93 0.00 0.00 1.34 0.00 0.00 72.50 71.75 3i9p s THR 123 CO -0.00 -0.27 0.00 0.59 -0.54 0.00 0.00 174.62 174.40