#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1p n ILE 2 N 0.00 0.00 -4.37 1.12 -5.35 -1.26 -4.83 119.36 104.66 3i1p n ILE 2 Ca 0.00 -0.31 -0.19 0.00 -0.27 0.00 0.00 62.75 61.98 3i1p n ILE 2 Cb 0.00 -1.66 -0.10 0.00 -1.74 0.00 0.00 39.64 36.13 3i1p n ILE 2 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3i1p s GLY 3 N -3.53 1.60 0.28 3.28 0.00 -1.26 -4.25 107.32 103.44 3i1p s GLY 3 Ca 0.19 -1.77 0.09 0.00 0.00 0.00 0.00 44.72 43.23 3i1p s GLY 3 CO 0.13 -1.77 -0.13 1.08 0.00 0.00 0.00 173.10 172.41 3i1p s LEU 4 N -3.36 2.60 -0.17 0.66 2.01 -0.39 -4.90 118.68 115.12 3i1p s LEU 4 Ca 0.26 -1.12 -0.02 0.00 0.01 0.00 0.00 54.13 53.26 3i1p s LEU 4 Cb 0.02 -0.88 -0.02 0.00 0.01 0.00 0.00 46.19 45.33 3i1p s LEU 4 CO 0.09 -0.16 -0.07 -0.69 1.01 0.00 0.00 176.35 176.53 3i1p s VAL 5 N -2.75 3.41 0.00 -1.59 1.01 -1.26 -1.80 120.40 117.42 3i1p s VAL 5 Ca 0.29 -0.51 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3i1p s VAL 5 Cb 0.00 -2.49 0.00 0.00 0.00 0.00 0.00 36.38 33.89 3i1p s VAL 5 CO 0.13 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.32 3i1p n GLY 6 N 3.96 5.76 2.91 4.51 0.00 -0.72 -4.67 105.19 116.95 3i1p n GLY 6 Ca -0.18 -1.52 -0.15 0.00 0.00 0.00 0.00 46.02 44.17 3i1p n GLY 6 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3i1p s LYS 7 N 1.41 0.08 0.10 1.61 2.20 -0.11 -2.39 119.74 122.65 3i1p s LYS 7 Ca 0.00 0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 55.95 3i1p s LYS 7 Cb 0.00 -0.18 -0.10 0.00 -1.51 0.00 0.00 37.83 36.04 3i1p s LYS 7 CO 0.00 -0.30 1.89 0.21 -0.36 0.00 0.00 175.35 176.79 3i1p s LYS 8 N 2.35 4.13 0.00 4.03 2.20 -1.22 -1.22 119.74 130.02 3i1p s LYS 8 Ca 0.02 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.26 3i1p s LYS 8 Cb -0.12 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.42 3i1p s LYS 8 CO -0.07 -0.89 0.00 1.55 -0.36 0.00 0.00 175.35 175.58 3i1p n VAL 9 N 5.00 0.00 0.00 4.02 3.14 -0.73 -1.33 118.33 128.43 3i1p n VAL 9 Ca 0.19 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.57 3i1p n VAL 9 Cb 0.39 -0.03 0.00 0.00 -1.06 0.00 0.00 33.84 33.14 3i1p n VAL 9 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 3i1p n GLY 10 N 2.04 0.62 0.57 7.55 0.00 -0.98 -4.88 105.19 110.11 3i1p n GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i1p n GLY 10 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i1p n MET 11 N 0.00 0.00 -3.74 1.61 2.81 -1.25 -4.78 117.12 111.77 3i1p n MET 11 Ca 0.00 0.19 -0.14 0.00 -1.81 0.00 0.00 57.70 55.94 3i1p n MET 11 Cb 0.00 -0.53 -0.09 0.00 -0.71 0.00 0.00 33.22 31.90 3i1p n MET 11 CO 0.00 0.00 0.00 0.99 1.51 0.00 0.00 175.97 178.47 3i1p s THR 12 N -0.30 0.04 0.19 2.03 2.01 -0.75 -4.99 115.64 113.87 3i1p s THR 12 Ca 0.00 -0.34 -0.03 0.00 0.31 0.00 0.00 61.69 61.62 3i1p s THR 12 Cb 0.00 -0.63 0.05 0.00 0.01 0.00 0.00 72.50 71.93 3i1p s THR 12 CO 0.00 -0.19 0.19 -2.11 -0.69 0.00 0.00 174.62 171.82 3i1p n ARG 13 N 1.56 -1.04 0.00 4.92 1.85 -1.26 -2.31 116.66 120.38 3i1p n ARG 13 Ca -0.20 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.36 3i1p n ARG 13 Cb 0.56 -0.25 0.00 0.00 -1.05 0.00 0.00 32.46 31.72 3i1p n ARG 13 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 3i1p n ILE 14 N -2.72 0.00 -2.46 8.89 3.06 -1.22 -4.79 119.36 120.12 3i1p n ILE 14 Ca 0.02 0.00 -0.37 0.00 -2.50 0.00 0.00 62.75 59.91 3i1p n ILE 14 Cb 0.09 0.00 -0.03 0.00 0.54 0.00 0.00 39.64 40.24 3i1p n ILE 14 CO 0.00 0.00 0.00 -0.36 -2.50 0.00 0.00 176.55 173.69 3i1p s PHE 15 N 0.00 3.15 0.37 9.51 0.40 -1.26 -3.60 117.98 126.55 3i1p s PHE 15 Ca 0.00 1.61 0.08 0.00 -0.60 0.00 0.00 56.93 58.02 3i1p s PHE 15 Cb 0.00 -3.20 -0.03 0.00 0.51 0.00 0.00 43.02 40.29 3i1p s PHE 15 CO 0.00 -0.89 0.25 -0.08 0.70 0.00 0.00 175.22 175.20 3i1p s THR 16 N -1.62 2.90 -1.03 0.64 -1.32 -1.14 -4.92 115.64 109.14 3i1p s THR 16 Ca 0.59 -1.52 0.15 0.00 -1.21 0.00 0.00 61.69 59.71 3i1p s THR 16 Cb -0.24 -3.03 0.14 0.00 -1.51 0.00 0.00 72.50 67.85 3i1p s THR 16 CO 0.30 -0.09 1.49 -0.62 -2.21 0.00 0.00 174.62 173.48 3i1p n GLU 17 N -1.33 0.02 -0.00 7.08 4.71 -1.26 -1.67 120.64 128.18 3i1p n GLU 17 Ca -0.00 0.23 -0.22 0.00 -0.01 0.00 0.00 57.16 57.16 3i1p n GLU 17 Cb 0.62 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 29.41 3i1p n GLU 17 CO 0.00 0.00 0.00 -0.44 0.09 0.00 0.00 177.13 176.78 3i1p h ASP 18 N 0.00 0.39 0.00 1.62 3.45 -2.03 -3.49 116.42 116.35 3i1p h ASP 18 Ca 0.00 -0.91 0.00 0.00 0.43 0.00 0.00 57.03 56.55 3i1p h ASP 18 Cb 0.26 -0.13 0.00 0.00 -0.56 0.00 0.00 39.33 38.90 3i1p h ASP 18 CO 0.00 1.82 0.00 0.61 -1.57 0.00 0.00 179.24 180.10 3i1p n GLY 19 N 1.93 0.49 3.04 2.75 0.00 -0.67 -5.16 105.19 107.57 3i1p n GLY 19 Ca -0.32 -0.70 -0.23 0.00 0.00 0.00 0.00 46.02 44.78 3i1p n GLY 19 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1p s VAL 20 N 0.00 1.04 -1.30 1.61 1.01 -1.26 -4.91 120.40 116.59 3i1p s VAL 20 Ca 0.00 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.41 3i1p s VAL 20 Cb 0.00 -0.92 0.15 0.00 0.00 0.00 0.00 36.38 35.62 3i1p s VAL 20 CO 0.00 0.32 2.00 -0.24 0.00 0.00 0.00 175.10 177.17 3i1p n SER 21 N 3.34 5.68 -4.56 3.32 2.88 -1.26 -2.90 113.62 120.13 3i1p n SER 21 Ca -0.19 -3.11 -0.38 0.00 -1.33 0.00 0.00 58.87 53.86 3i1p n SER 21 Cb 0.53 -1.46 -0.03 0.00 -0.75 0.00 0.00 64.21 62.50 3i1p n SER 21 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3i1p n ILE 22 N 3.04 0.03 -1.98 2.46 2.08 -1.24 -4.82 119.36 118.93 3i1p n ILE 22 Ca 0.45 -0.69 -0.27 0.00 0.56 0.00 0.00 62.75 62.80 3i1p n ILE 22 Cb 0.34 -2.66 -0.05 0.00 -0.75 0.00 0.00 39.64 36.52 3i1p n ILE 22 CO 0.00 0.00 0.00 -2.16 0.56 0.00 0.00 176.55 174.95 3i1p s PRO 23 N 7.80 2.44 0.29 0.38 0.04 -1.26 -3.42 135.00 141.27 3i1p s PRO 23 Ca 1.00 -0.03 0.09 0.00 0.04 0.00 0.00 61.00 62.10 3i1p s PRO 23 Cb -0.26 -4.92 -0.04 0.00 0.04 0.00 0.00 34.50 29.31 3i1p s PRO 23 CO 0.30 -3.41 0.07 0.54 0.04 0.00 0.00 177.00 174.54 3i1p s VAL 24 N 10.55 3.44 -0.18 -0.36 0.11 -0.98 0.88 120.40 133.87 3i1p s VAL 24 Ca 0.73 -1.77 0.00 0.00 -2.93 0.00 0.00 61.98 58.02 3i1p s VAL 24 Cb -0.09 -2.97 0.01 0.00 -1.53 0.00 0.00 36.38 31.81 3i1p s VAL 24 CO 0.04 -0.31 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.44 3i1p s THR 25 N -2.33 2.31 0.02 5.04 2.01 0.73 -1.82 115.64 121.60 3i1p s THR 25 Ca 0.34 -0.86 -0.30 0.00 0.31 0.00 0.00 61.69 61.17 3i1p s THR 25 Cb -0.05 -1.98 -0.04 0.00 0.01 0.00 0.00 72.50 70.44 3i1p s THR 25 CO 0.22 0.52 1.07 -0.69 -0.69 0.00 0.00 174.62 175.04 3i1p s VAL 26 N 1.21 4.55 -0.06 3.82 1.01 -1.26 -2.76 120.40 126.91 3i1p s VAL 26 Ca 0.02 1.83 0.01 0.00 0.00 0.00 0.00 61.98 63.84 3i1p s VAL 26 Cb -0.14 -4.17 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3i1p s VAL 26 CO -0.09 0.13 -0.05 -0.63 0.00 0.00 0.00 175.10 174.46 3i1p s ILE 27 N 1.09 0.65 -0.19 2.22 1.01 -0.80 -1.76 121.20 123.42 3i1p s ILE 27 Ca 0.54 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 3i1p s ILE 27 Cb -0.24 -0.68 -0.03 0.00 0.01 0.00 0.00 42.46 41.52 3i1p s ILE 27 CO 0.28 0.26 0.02 -0.70 0.00 0.00 0.00 174.94 174.81 3i1p s GLU 28 N 1.09 3.78 -0.40 2.79 -6.30 -0.35 -0.89 118.70 118.41 3i1p s GLU 28 Ca -0.08 -0.44 0.03 0.00 -2.50 0.00 0.00 54.97 51.97 3i1p s GLU 28 Cb -0.14 -3.12 0.12 0.00 0.00 0.00 0.00 34.13 30.99 3i1p s GLU 28 CO -0.01 0.16 0.16 0.08 0.02 0.00 0.00 175.26 175.67 3i1p s VAL 29 N 0.64 1.85 -0.95 3.70 1.01 -0.89 -0.93 120.40 124.83 3i1p s VAL 29 Ca 0.01 -2.45 -0.07 0.00 0.00 0.00 0.00 61.98 59.47 3i1p s VAL 29 Cb -0.14 -2.33 -0.06 0.00 0.00 0.00 0.00 36.38 33.85 3i1p s VAL 29 CO 0.02 -0.74 2.97 -0.62 0.00 0.00 0.00 175.10 176.73 3i1p n GLU 30 N 3.91 3.27 -2.28 2.72 1.02 -1.26 -4.57 120.64 123.45 3i1p n GLU 30 Ca 0.04 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.97 3i1p n GLU 30 Cb 0.38 -2.45 0.00 0.00 -0.02 0.00 0.00 31.44 29.35 3i1p n GLU 30 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i1p n ALA 31 N 2.43 -1.87 -3.20 0.62 0.00 -1.26 -4.62 120.51 112.61 3i1p n ALA 31 Ca 0.61 0.43 -0.38 0.00 0.00 0.00 0.00 53.44 54.11 3i1p n ALA 31 Cb 0.46 -1.37 -0.12 0.00 0.00 0.00 0.00 19.45 18.42 3i1p n ALA 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3i1p s ASN 32 N -0.52 5.23 0.27 0.00 2.20 -1.07 -4.45 114.94 116.60 3i1p s ASN 32 Ca 0.00 -0.94 -0.09 0.00 -0.94 0.00 0.00 52.86 50.89 3i1p s ASN 32 Cb 0.00 -1.88 -0.07 0.00 -2.00 0.00 0.00 41.25 37.31 3i1p s ASN 32 CO 0.00 -0.27 0.58 0.00 -2.94 0.00 0.00 177.10 174.48 3i1p s ARG 33 N 1.45 3.76 0.68 3.55 3.03 -0.90 -2.70 118.95 127.81 3i1p s ARG 33 Ca 0.00 0.24 -0.15 0.00 2.03 0.00 0.00 55.73 57.85 3i1p s ARG 33 Cb -0.18 -2.61 0.01 0.00 -1.03 0.00 0.00 34.95 31.14 3i1p s ARG 33 CO 0.03 0.24 1.13 0.14 -1.13 0.00 0.00 175.30 175.71 3i1p s VAL 34 N -1.97 3.02 -0.09 4.99 -7.23 -1.26 -1.32 120.40 116.54 3i1p s VAL 34 Ca 0.47 0.48 0.08 0.00 -1.81 0.00 0.00 61.98 61.20 3i1p s VAL 34 Cb -0.11 -3.00 -0.11 0.00 0.56 0.00 0.00 36.38 33.72 3i1p s VAL 34 CO 0.25 -0.29 0.03 0.41 -0.31 0.00 0.00 175.10 175.19 3i1p n THR 35 N -2.51 0.62 -3.51 5.32 -1.04 -0.59 -3.78 114.28 108.80 3i1p n THR 35 Ca 0.11 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 61.74 3i1p n THR 35 Cb 0.52 -0.76 -0.05 0.00 -1.82 0.00 0.00 70.33 68.21 3i1p n THR 35 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3i1p s GLN 36 N -2.22 0.28 -0.32 -2.82 -2.07 -1.26 -4.42 119.66 106.83 3i1p s GLN 36 Ca -0.05 0.59 -0.17 0.00 -1.82 0.00 0.00 55.36 53.91 3i1p s GLN 36 Cb 0.03 0.22 -0.02 0.00 -1.09 0.00 0.00 33.01 32.15 3i1p s GLN 36 CO 0.37 -0.08 0.45 0.08 -1.32 0.00 0.00 175.29 174.79 3i1p s VAL 37 N 1.82 5.09 0.03 3.63 1.01 -1.26 -3.28 120.40 127.46 3i1p s VAL 37 Ca -0.06 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.36 3i1p s VAL 37 Cb -0.04 -3.85 -0.03 0.00 0.00 0.00 0.00 36.38 32.45 3i1p s VAL 37 CO -0.16 -0.07 -0.11 -1.59 0.00 0.00 0.00 175.10 173.18 3i1p s LYS 38 N 2.22 2.32 0.00 2.72 -2.85 -1.24 -4.82 119.74 118.10 3i1p s LYS 38 Ca 0.16 -0.86 0.00 0.00 -1.00 0.00 0.00 55.97 54.27 3i1p s LYS 38 Cb -0.16 -2.36 0.00 0.00 -2.06 0.00 0.00 37.83 33.25 3i1p s LYS 38 CO 0.12 0.56 0.00 -3.47 0.10 0.00 0.00 175.35 172.66 3i1p n ASP 39 N 1.39 1.07 0.00 0.03 2.03 -1.24 -3.38 116.55 116.44 3i1p n ASP 39 Ca -0.15 0.00 0.15 0.00 0.52 0.00 0.00 54.79 55.31 3i1p n ASP 39 Cb 0.52 0.00 0.86 0.00 -0.72 0.00 0.00 41.12 41.79 3i1p n ASP 39 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 3i1p n LEU 40 N 0.00 0.00 0.09 -2.67 4.32 -1.24 -2.87 117.00 114.63 3i1p n LEU 40 Ca 0.00 0.05 -0.05 0.00 -0.02 0.00 0.00 56.01 55.99 3i1p n LEU 40 Cb 0.00 -0.05 -0.02 0.00 -1.62 0.00 0.00 43.42 41.73 3i1p n LEU 40 CO 0.00 -0.00 0.13 0.00 -1.22 0.00 0.00 177.39 176.30 3i1p h ALA 41 N 3.79 -0.34 -2.93 -1.18 0.00 -1.93 -3.41 119.26 113.26 3i1p h ALA 41 Ca 0.00 -0.07 -0.64 0.00 0.00 0.00 0.00 54.91 54.20 3i1p h ALA 41 Cb 0.05 0.13 -0.10 0.00 0.00 0.00 0.00 17.79 17.87 3i1p h ALA 41 CO 0.00 -0.31 -0.49 -0.80 0.00 0.00 0.00 179.25 177.64 3i1p s ASN 42 N -5.03 6.25 1.91 0.00 -0.87 -1.24 -4.82 114.94 111.15 3i1p s ASN 42 Ca -0.05 0.35 0.00 0.00 -1.57 0.00 0.00 52.86 51.59 3i1p s ASN 42 Cb 0.00 -2.06 0.00 0.00 -0.02 0.00 0.00 41.25 39.18 3i1p s ASN 42 CO 0.14 0.31 0.00 -0.67 -2.57 0.00 0.00 177.10 174.31 3i1p n ASP 43 N 2.64 0.00 0.00 -1.22 -0.08 -1.26 -3.92 116.55 112.70 3i1p n ASP 43 Ca -0.18 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.10 3i1p n ASP 43 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 3i1p n ASP 43 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3i1p n GLY 44 N 0.00 0.00 3.52 0.27 0.00 -1.21 -4.86 105.19 102.91 3i1p n GLY 44 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 3i1p n GLY 44 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3i1p s TYR 45 N 0.00 0.94 -0.29 1.61 1.13 -1.14 -4.77 117.35 114.84 3i1p s TYR 45 Ca 0.00 -1.22 -0.03 0.00 -1.41 0.00 0.00 57.07 54.40 3i1p s TYR 45 Cb 0.00 0.01 0.03 0.00 -1.10 0.00 0.00 41.96 40.90 3i1p s TYR 45 CO 0.00 -1.17 0.01 1.03 -2.51 0.00 0.00 175.55 172.92 3i1p s ARG 46 N -3.04 2.71 0.00 -3.49 0.52 -1.26 -3.69 118.95 110.70 3i1p s ARG 46 Ca 0.29 -1.08 0.00 0.00 -0.52 0.00 0.00 55.73 54.41 3i1p s ARG 46 Cb -0.01 -3.21 0.00 0.00 0.52 0.00 0.00 34.95 32.26 3i1p s ARG 46 CO 0.19 -0.53 0.00 0.00 0.02 0.00 0.00 175.30 174.98 3i1p n ALA 47 N 4.72 0.00 -3.12 2.13 0.00 -1.22 -1.41 120.51 121.61 3i1p n ALA 47 Ca -0.14 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.33 3i1p n ALA 47 Cb 0.46 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.90 3i1p n ALA 47 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 3i1p s ILE 48 N -2.81 -0.74 0.51 0.00 2.07 -0.68 -3.62 121.20 115.93 3i1p s ILE 48 Ca 0.00 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.01 3i1p s ILE 48 Cb 0.00 -0.48 -0.06 0.00 0.13 0.00 0.00 42.46 42.05 3i1p s ILE 48 CO 0.00 0.00 1.39 1.67 -1.91 0.00 0.00 174.94 176.09 3i1p n GLN 49 N 4.91 1.90 -4.17 3.50 7.27 -1.20 -2.98 117.38 126.62 3i1p n GLN 49 Ca 0.07 0.69 -0.11 0.00 0.07 0.00 0.00 57.00 57.73 3i1p n GLN 49 Cb 0.57 -2.61 -0.10 0.00 2.41 0.00 0.00 30.24 30.51 3i1p n GLN 49 CO 0.00 0.00 0.00 0.14 0.07 0.00 0.00 177.06 177.27 3i1p s VAL 50 N -1.25 0.05 -0.10 1.69 -7.23 -0.81 -1.54 120.40 111.20 3i1p s VAL 50 Ca 0.68 -1.93 -0.04 0.00 -1.81 0.00 0.00 61.98 58.88 3i1p s VAL 50 Cb -0.43 -2.27 0.05 0.00 0.56 0.00 0.00 36.38 34.30 3i1p s VAL 50 CO 0.52 -0.22 0.20 -0.89 -0.31 0.00 0.00 175.10 174.41 3i1p s THR 51 N -4.10 -0.31 -0.08 5.32 2.01 -0.43 -2.23 115.64 115.81 3i1p s THR 51 Ca 0.31 0.32 -0.08 0.00 0.31 0.00 0.00 61.69 62.56 3i1p s THR 51 Cb 0.07 -0.35 -0.03 0.00 0.01 0.00 0.00 72.50 72.20 3i1p s THR 51 CO 0.07 0.13 -0.15 0.41 -0.69 0.00 0.00 174.62 174.40 3i1p n THR 52 N 5.29 0.73 0.00 -0.82 -1.04 -1.26 -2.13 114.28 115.05 3i1p n THR 52 Ca -0.06 0.33 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 3i1p n THR 52 Cb 0.50 -1.93 0.00 0.00 -1.82 0.00 0.00 70.33 67.08 3i1p n THR 52 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1p n GLY 53 N 1.54 -1.75 3.22 3.41 0.00 -1.26 -4.58 105.19 105.77 3i1p n GLY 53 Ca -0.06 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.28 3i1p n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p s ALA 54 N -3.15 1.71 0.05 4.61 0.00 -1.26 -3.94 121.76 119.78 3i1p s ALA 54 Ca 0.00 -0.91 0.06 0.00 0.00 0.00 0.00 51.96 51.11 3i1p s ALA 54 Cb 0.00 -0.42 -0.02 0.00 0.00 0.00 0.00 23.12 22.67 3i1p s ALA 54 CO 0.00 0.42 -0.16 0.21 0.00 0.00 0.00 175.76 176.23 3i1p s LYS 55 N -0.57 0.99 0.13 0.00 2.36 -1.26 -4.20 119.74 117.19 3i1p s LYS 55 Ca 0.08 -0.86 -0.30 0.00 -2.55 0.00 0.00 55.97 52.34 3i1p s LYS 55 Cb -0.08 -1.04 -0.07 0.00 -1.05 0.00 0.00 37.83 35.59 3i1p s LYS 55 CO -0.00 0.25 1.21 0.15 1.55 0.00 0.00 175.35 178.51 3i1p s LYS 56 N -1.32 4.46 0.00 4.03 1.02 -1.26 -4.63 119.74 122.04 3i1p s LYS 56 Ca 0.02 1.84 0.11 0.00 0.02 0.00 0.00 55.97 57.96 3i1p s LYS 56 Cb -0.09 -3.29 0.47 0.00 -0.52 0.00 0.00 37.83 34.41 3i1p s LYS 56 CO 0.02 -0.18 1.35 0.00 -0.92 0.00 0.00 175.35 175.62 3i1p n ALA 57 N 3.20 1.51 0.67 5.17 0.00 -1.26 -1.85 120.51 127.93 3i1p n ALA 57 Ca 0.07 -0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.58 3i1p n ALA 57 Cb 0.45 -1.18 0.10 0.00 0.00 0.00 0.00 19.45 18.83 3i1p n ALA 57 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i1p n ASN 58 N -1.50 0.63 -0.10 0.00 3.02 -1.26 -4.08 115.26 111.97 3i1p n ASN 58 Ca 0.03 -0.15 0.01 0.00 -0.03 0.00 0.00 54.58 54.44 3i1p n ASN 58 Cb 0.13 0.51 0.01 0.00 -0.61 0.00 0.00 39.78 39.82 3i1p n ASN 58 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3i1p n ARG 59 N -1.90 0.24 -3.13 3.52 5.12 -0.77 -4.98 116.66 114.76 3i1p n ARG 59 Ca 0.03 -0.59 -0.41 0.00 -1.93 0.00 0.00 57.85 54.96 3i1p n ARG 59 Cb 0.41 -1.00 -0.07 0.00 -1.16 0.00 0.00 32.46 30.65 3i1p n ARG 59 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3i1p s VAL 60 N -0.36 4.96 0.66 1.55 0.11 -0.90 -4.99 120.40 121.43 3i1p s VAL 60 Ca 0.03 0.90 -0.15 0.00 -2.93 0.00 0.00 61.98 59.83 3i1p s VAL 60 Cb 0.02 -3.97 0.00 0.00 -1.53 0.00 0.00 36.38 30.90 3i1p s VAL 60 CO 0.04 -0.09 1.11 0.42 -3.33 0.00 0.00 175.10 173.25 3i1p s THR 61 N 2.56 3.24 0.22 5.04 -4.23 -1.26 -4.65 115.64 116.56 3i1p s THR 61 Ca 0.25 0.58 -0.09 0.00 -1.18 0.00 0.00 61.69 61.24 3i1p s THR 61 Cb -0.15 -3.10 0.20 0.00 1.34 0.00 0.00 72.50 70.79 3i1p s THR 61 CO 0.11 -0.36 1.68 0.11 -0.54 0.00 0.00 174.62 175.62 3i1p h LYS 62 N 0.02 0.19 -0.33 3.99 6.56 -1.98 0.50 116.57 125.52 3i1p h LYS 62 Ca -0.47 -0.01 -0.02 0.00 -1.06 0.00 0.00 60.65 59.09 3i1p h LYS 62 Cb 1.25 -0.04 -0.02 0.00 -0.57 0.00 0.00 32.23 32.85 3i1p h LYS 62 CO 0.54 0.13 0.11 -1.35 -2.06 0.00 0.00 179.45 176.81 3i1p h PRO 63 N 0.20 0.46 0.53 3.15 0.11 -1.99 -1.40 132.00 133.05 3i1p h PRO 63 Ca 0.34 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 66.37 3i1p h PRO 63 Cb 0.56 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.59 3i1p h PRO 63 CO -0.49 0.41 -0.25 0.93 -0.21 0.00 0.00 178.00 178.39 3i1p h GLU 64 N 0.46 -0.68 0.00 1.05 5.08 -1.23 -3.03 114.58 116.23 3i1p h GLU 64 Ca 0.11 0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.52 3i1p h GLU 64 Cb 0.13 0.15 -0.00 0.00 0.50 0.00 0.00 28.75 29.54 3i1p h GLU 64 CO -0.01 -0.45 -0.00 0.00 -1.00 0.00 0.00 179.01 177.55 3i1p h ALA 65 N -1.24 1.75 -0.42 3.43 0.00 -0.05 0.13 119.26 122.86 3i1p h ALA 65 Ca -0.07 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 3i1p h ALA 65 Cb 0.54 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i1p h ALA 65 CO 0.12 0.00 -0.25 0.78 0.00 0.00 0.00 179.25 179.90 3i1p h GLY 66 N 0.01 0.98 1.04 0.00 0.00 -1.36 -3.04 103.07 100.70 3i1p h GLY 66 Ca -0.00 -0.91 0.02 0.00 0.00 0.00 0.00 47.33 46.44 3i1p h GLY 66 CO 0.00 0.83 0.46 0.84 0.00 0.00 0.00 176.54 178.67 3i1p h HIS 67 N 0.73 0.00 -1.68 5.60 6.17 -0.61 0.68 115.15 126.05 3i1p h HIS 67 Ca 0.09 0.00 -0.75 0.00 0.71 0.00 0.00 60.37 60.41 3i1p h HIS 67 Cb 0.82 0.00 -0.20 0.00 2.52 0.00 0.00 27.41 30.55 3i1p h HIS 67 CO 0.06 0.00 1.56 1.19 0.71 0.00 0.00 177.93 181.45 3i1p n PHE 68 N -2.94 2.62 0.04 5.26 3.01 -1.15 -4.32 117.46 119.97 3i1p n PHE 68 Ca -0.00 -2.60 0.00 0.00 1.01 0.00 0.00 57.45 55.86 3i1p n PHE 68 Cb 0.52 -1.48 0.00 0.00 -0.01 0.00 0.00 39.48 38.51 3i1p n PHE 68 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1p n ALA 69 N 0.72 3.00 -0.37 4.37 0.00 0.24 -4.46 120.51 124.00 3i1p n ALA 69 Ca 0.54 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.99 3i1p n ALA 69 Cb 0.28 0.32 0.16 0.00 0.00 0.00 0.00 19.45 20.20 3i1p n ALA 69 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3i1p h LYS 70 N 0.00 1.19 -6.21 0.00 1.57 -1.77 -3.43 116.57 107.92 3i1p h LYS 70 Ca 0.00 -0.07 -0.52 0.00 -1.87 0.00 0.00 60.65 58.19 3i1p h LYS 70 Cb 0.35 -0.27 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 3i1p h LYS 70 CO 0.00 0.79 -0.28 0.00 -0.57 0.00 0.00 179.45 179.39 3i1p s ALA 71 N -6.06 4.38 0.96 3.86 0.00 -1.26 -4.99 121.76 118.64 3i1p s ALA 71 Ca -0.13 -1.71 -0.11 0.00 0.00 0.00 0.00 51.96 50.01 3i1p s ALA 71 Cb 0.20 -1.05 0.14 0.00 0.00 0.00 0.00 23.12 22.41 3i1p s ALA 71 CO 0.81 -0.46 0.96 0.41 0.00 0.00 0.00 175.76 177.48 3i1p n GLY 72 N -1.81 -0.93 3.80 0.00 0.00 -1.26 -4.77 105.19 100.23 3i1p n GLY 72 Ca 0.05 -0.77 -0.27 0.00 0.00 0.00 0.00 46.02 45.03 3i1p n GLY 72 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s VAL 73 N -2.56 4.51 0.00 1.61 0.11 -1.26 -4.73 120.40 118.08 3i1p s VAL 73 Ca 0.65 -1.04 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3i1p s VAL 73 Cb -0.23 -3.29 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 3i1p s VAL 73 CO 0.61 -0.09 0.00 1.21 -3.33 0.00 0.00 175.10 173.50 3i1p n GLU 74 N -0.28 0.00 0.00 1.54 2.13 -1.26 -5.11 120.64 117.66 3i1p n GLU 74 Ca -0.08 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.74 3i1p n GLU 74 Cb 0.54 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.25 3i1p n GLU 74 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3i1p n ALA 75 N 0.00 0.00 -0.01 4.31 0.00 -1.26 -4.75 120.51 118.81 3i1p n ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1p n ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 3i1p n ALA 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 76 N 0.00 -1.45 0.00 0.00 0.00 -1.25 -4.82 105.19 97.67 3i1p n GLY 76 Ca 0.00 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3i1p n GLY 76 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p n ARG 77 N 0.81 0.00 0.00 1.61 1.74 -1.25 -4.71 116.66 114.85 3i1p n ARG 77 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i1p n ARG 77 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 3i1p n ARG 77 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3i1p n GLY 78 N -0.54 3.50 2.86 -0.13 0.00 -1.26 -4.98 105.19 104.64 3i1p n GLY 78 Ca 0.00 -0.62 -0.28 0.00 0.00 0.00 0.00 46.02 45.12 3i1p n GLY 78 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i1p s LEU 79 N 0.00 1.56 0.00 0.99 2.01 -1.26 -4.55 118.68 117.43 3i1p s LEU 79 Ca 0.00 -0.71 0.02 0.00 0.01 0.00 0.00 54.13 53.45 3i1p s LEU 79 Cb 0.00 -0.84 0.02 0.00 0.01 0.00 0.00 46.19 45.38 3i1p s LEU 79 CO 0.00 -0.22 0.19 0.79 1.01 0.00 0.00 176.35 178.12 3i1p n TRP 80 N 4.91 0.15 -3.78 0.29 8.01 -0.95 -4.95 117.44 121.11 3i1p n TRP 80 Ca -0.11 -2.15 -0.13 0.00 -1.31 0.00 0.00 57.50 53.80 3i1p n TRP 80 Cb 0.47 -0.35 -0.12 0.00 -2.01 0.00 0.00 31.31 29.30 3i1p n TRP 80 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 3i1p s GLU 81 N -3.83 0.25 -0.24 -0.99 2.12 -1.26 -1.93 118.70 112.82 3i1p s GLU 81 Ca 0.14 0.34 -0.01 0.00 0.36 0.00 0.00 54.97 55.81 3i1p s GLU 81 Cb -0.01 0.09 0.07 0.00 0.26 0.00 0.00 34.13 34.54 3i1p s GLU 81 CO 0.09 -0.05 0.03 -0.06 -0.54 0.00 0.00 175.26 174.73 3i1p s PHE 82 N 0.29 1.66 0.25 5.30 0.08 -1.16 -4.98 117.98 119.41 3i1p s PHE 82 Ca -0.01 -1.39 -0.30 0.00 0.12 0.00 0.00 56.93 55.35 3i1p s PHE 82 Cb -0.03 -1.40 -0.10 0.00 -0.57 0.00 0.00 43.02 40.92 3i1p s PHE 82 CO -0.01 -0.73 1.41 1.03 -0.10 0.00 0.00 175.22 176.82 3i1p s ARG 83 N 1.64 4.29 0.16 0.44 1.81 -1.26 -1.69 118.95 124.34 3i1p s ARG 83 Ca 0.01 2.26 0.09 0.00 -1.72 0.00 0.00 55.73 56.37 3i1p s ARG 83 Cb -0.18 -3.12 -0.04 0.00 -0.45 0.00 0.00 34.95 31.16 3i1p s ARG 83 CO -0.12 -0.38 -0.15 -0.48 -0.68 0.00 0.00 175.30 173.49 3i1p s LEU 84 N -0.46 2.77 -0.65 2.53 0.05 -0.50 -4.78 118.68 117.63 3i1p s LEU 84 Ca 0.58 -0.64 0.03 0.00 0.05 0.00 0.00 54.13 54.15 3i1p s LEU 84 Cb -0.41 -1.51 0.16 0.00 -2.05 0.00 0.00 46.19 42.38 3i1p s LEU 84 CO 0.43 0.13 0.44 0.00 -0.55 0.00 0.00 176.35 176.80 3i1p s ALA 85 N -1.53 3.67 -0.49 1.48 0.00 -1.26 -4.65 121.76 118.98 3i1p s ALA 85 Ca 0.22 -3.59 0.00 0.00 0.00 0.00 0.00 51.96 48.59 3i1p s ALA 85 Cb -0.09 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.74 3i1p s ALA 85 CO 0.12 -2.08 0.00 0.39 0.00 0.00 0.00 175.76 174.20 3i1p n GLU 86 N 2.57 -0.99 -3.97 0.00 1.02 -1.26 -4.88 120.64 113.13 3i1p n GLU 86 Ca 0.13 0.53 -0.34 0.00 -0.02 0.00 0.00 57.16 57.46 3i1p n GLU 86 Cb 0.34 -4.42 -0.14 0.00 -0.02 0.00 0.00 31.44 27.20 3i1p n GLU 86 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 3i1p s GLY 87 N -2.35 1.68 0.53 0.62 0.00 -1.26 -5.11 107.32 101.43 3i1p s GLY 87 Ca 0.00 -1.65 -0.05 0.00 0.00 0.00 0.00 44.72 43.02 3i1p s GLY 87 CO 0.00 0.61 0.82 -0.54 0.00 0.00 0.00 173.10 173.99 3i1p s GLU 88 N 1.24 3.17 -0.16 2.90 2.02 -1.26 -4.92 118.70 121.69 3i1p s GLU 88 Ca -0.04 -0.00 -0.21 0.00 0.02 0.00 0.00 54.97 54.74 3i1p s GLU 88 Cb -0.19 -2.35 0.05 0.00 0.10 0.00 0.00 34.13 31.74 3i1p s GLU 88 CO -0.03 -0.45 0.55 -1.21 0.02 0.00 0.00 175.26 174.14 3i1p s GLU 89 N -4.83 0.73 0.40 1.61 2.02 -1.26 -5.15 118.70 112.22 3i1p s GLU 89 Ca 0.51 0.56 -0.26 0.00 0.02 0.00 0.00 54.97 55.80 3i1p s GLU 89 Cb -0.10 0.35 -0.09 0.00 0.10 0.00 0.00 34.13 34.38 3i1p s GLU 89 CO 0.44 -0.14 1.35 -0.06 0.02 0.00 0.00 175.26 176.88 3i1p s PHE 90 N -0.17 2.73 -2.00 1.61 0.08 -1.26 -4.88 117.98 114.09 3i1p s PHE 90 Ca -0.04 1.35 0.01 0.00 0.12 0.00 0.00 56.93 58.37 3i1p s PHE 90 Cb -0.03 -3.77 0.06 0.00 -0.57 0.00 0.00 43.02 38.71 3i1p s PHE 90 CO 0.03 -2.37 0.71 -2.37 -0.10 0.00 0.00 175.22 171.12 3i1p n THR 91 N 0.16 0.00 -4.26 0.64 5.66 -1.26 -4.59 114.28 110.63 3i1p n THR 91 Ca 0.03 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.77 3i1p n THR 91 Cb 0.42 -0.20 -0.09 0.00 -1.55 0.00 0.00 70.33 68.92 3i1p n THR 91 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3i1p s VAL 92 N -2.00 3.39 -0.92 1.08 0.11 -1.26 -4.25 120.40 116.55 3i1p s VAL 92 Ca 0.02 -1.60 -0.23 0.00 -2.93 0.00 0.00 61.98 57.23 3i1p s VAL 92 Cb 0.01 -2.70 -0.23 0.00 -1.53 0.00 0.00 36.38 31.93 3i1p s VAL 92 CO 0.01 -0.13 2.47 0.61 -3.33 0.00 0.00 175.10 174.73 3i1p n GLY 93 N -0.09 -0.38 2.66 6.54 0.00 -1.25 -4.54 105.19 108.14 3i1p n GLY 93 Ca -0.10 0.66 -0.36 0.00 0.00 0.00 0.00 46.02 46.22 3i1p n GLY 93 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1p n GLN 94 N 7.66 2.85 -0.14 1.61 7.27 -1.26 -4.79 117.38 130.58 3i1p n GLN 94 Ca 0.61 -3.59 -0.05 0.00 0.07 0.00 0.00 57.00 54.04 3i1p n GLN 94 Cb 0.17 -2.27 -0.01 0.00 2.41 0.00 0.00 30.24 30.53 3i1p n GLN 94 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 3i1p n SER 95 N -0.65 0.06 -4.26 1.69 7.64 -1.26 -4.79 113.62 112.04 3i1p n SER 95 Ca 0.55 0.10 -0.34 0.00 1.01 0.00 0.00 58.87 60.18 3i1p n SER 95 Cb 0.44 -0.08 -0.15 0.00 -1.01 0.00 0.00 64.21 63.41 3i1p n SER 95 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3i1p s ILE 96 N 0.14 3.00 0.94 0.44 1.01 -1.10 -4.91 121.20 120.72 3i1p s ILE 96 Ca 0.08 -0.62 -0.14 0.00 0.00 0.00 0.00 60.65 59.97 3i1p s ILE 96 Cb -0.12 -2.34 0.16 0.00 0.01 0.00 0.00 42.46 40.18 3i1p s ILE 96 CO 0.06 0.46 1.18 -0.44 0.00 0.00 0.00 174.94 176.20 3i1p s SER 97 N 1.35 3.29 0.00 3.58 0.01 -1.26 -2.59 113.70 118.09 3i1p s SER 97 Ca 0.04 0.73 0.11 0.00 1.31 0.00 0.00 55.95 58.15 3i1p s SER 97 Cb -0.14 -1.13 0.50 0.00 0.21 0.00 0.00 66.02 65.46 3i1p s SER 97 CO -0.05 -2.66 1.31 1.33 0.41 0.00 0.00 173.24 173.58 3i1p n VAL 98 N -3.80 1.05 -0.22 3.43 0.24 -1.26 -3.15 118.33 114.61 3i1p n VAL 98 Ca 0.10 0.26 0.22 0.00 -2.04 0.00 0.00 64.34 62.88 3i1p n VAL 98 Cb 0.60 -1.08 0.40 0.00 -1.47 0.00 0.00 33.84 32.29 3i1p n VAL 98 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 3i1p n GLU 99 N -1.42 -0.04 -0.25 7.34 0.28 -1.26 -0.69 120.64 124.60 3i1p n GLU 99 Ca 0.04 0.90 -0.04 0.00 -0.16 0.00 0.00 57.16 57.90 3i1p n GLU 99 Cb 0.11 -1.64 -0.02 0.00 1.43 0.00 0.00 31.44 31.33 3i1p n GLU 99 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 3i1p n LEU 100 N -4.44 -0.52 -2.45 -1.84 -0.00 -1.19 -2.16 117.00 104.40 3i1p n LEU 100 Ca 0.25 1.09 -0.18 0.00 -0.00 0.00 0.00 56.01 57.17 3i1p n LEU 100 Cb 0.88 -0.20 -0.11 0.00 -0.00 0.00 0.00 43.42 43.99 3i1p n LEU 100 CO 0.02 -0.94 2.02 0.49 -0.00 0.00 0.00 177.39 178.98 3i1p n PHE 101 N -4.85 0.69 0.00 1.96 3.01 0.13 -4.68 117.46 113.72 3i1p n PHE 101 Ca 0.04 -1.79 0.00 0.00 1.01 0.00 0.00 57.45 56.70 3i1p n PHE 101 Cb 0.21 -1.72 0.00 0.00 -0.01 0.00 0.00 39.48 37.96 3i1p n PHE 101 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i1p n ALA 102 N 2.94 0.00 0.25 4.37 0.00 -0.92 -4.13 120.51 123.03 3i1p n ALA 102 Ca 0.48 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.95 3i1p n ALA 102 Cb 0.61 0.00 0.15 0.00 0.00 0.00 0.00 19.45 20.21 3i1p n ALA 102 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i1p n ASP 103 N 0.00 0.00 -4.62 0.00 8.00 -1.26 -4.67 116.55 114.00 3i1p n ASP 103 Ca 0.00 0.45 -0.43 0.00 0.71 0.00 0.00 54.79 55.52 3i1p n ASP 103 Cb 0.00 -0.47 -0.03 0.00 -0.02 0.00 0.00 41.12 40.61 3i1p n ASP 103 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3i1p s VAL 104 N -2.93 3.49 -0.40 2.53 1.01 -1.26 -4.81 120.40 118.04 3i1p s VAL 104 Ca 0.04 0.53 0.04 0.00 0.00 0.00 0.00 61.98 62.59 3i1p s VAL 104 Cb 0.04 -3.54 0.07 0.00 0.00 0.00 0.00 36.38 32.96 3i1p s VAL 104 CO 0.12 -0.26 0.85 0.29 0.00 0.00 0.00 175.10 176.10 3i1p n LYS 105 N 7.99 1.23 0.00 2.72 5.02 -1.26 -4.84 118.16 129.02 3i1p n LYS 105 Ca 0.21 -1.20 0.00 0.00 -2.02 0.00 0.00 58.31 55.30 3i1p n LYS 105 Cb 0.45 -1.08 0.00 0.00 -0.02 0.00 0.00 35.03 34.38 3i1p n LYS 105 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3i1p n LYS 106 N 0.03 0.00 -0.05 1.97 4.01 -1.26 -2.64 118.16 120.22 3i1p n LYS 106 Ca 0.03 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.83 3i1p n LYS 106 Cb 0.20 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.72 3i1p n LYS 106 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 3i1p n VAL 107 N 0.00 -0.88 -0.09 -0.18 0.31 -1.26 -2.72 118.33 113.52 3i1p n VAL 107 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 3i1p n VAL 107 Cb 0.00 -0.88 -0.04 0.00 -0.91 0.00 0.00 33.84 32.02 3i1p n VAL 107 CO 0.00 0.00 0.00 0.47 -1.32 0.00 0.00 176.83 175.98 3i1p n ASP 108 N -0.34 1.88 -2.14 4.52 10.43 0.38 -3.75 116.55 127.54 3i1p n ASP 108 Ca 0.00 0.46 -0.01 0.00 2.57 0.00 0.00 54.79 57.81 3i1p n ASP 108 Cb 0.00 -0.82 -0.01 0.00 1.84 0.00 0.00 41.12 42.13 3i1p n ASP 108 CO 0.00 0.00 0.00 0.52 -1.07 0.00 0.00 177.20 176.65 3i1p n VAL 109 N -4.50 -7.81 -3.54 2.53 0.31 -1.23 -2.61 118.33 101.48 3i1p n VAL 109 Ca -0.17 1.19 -0.34 0.00 -0.01 0.00 0.00 64.34 65.02 3i1p n VAL 109 Cb 0.47 -5.45 -0.05 0.00 -0.91 0.00 0.00 33.84 27.89 3i1p n VAL 109 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 3i1p s THR 110 N -0.70 5.05 0.19 2.52 2.01 0.20 -1.99 115.64 122.93 3i1p s THR 110 Ca -0.06 0.43 -0.04 0.00 0.31 0.00 0.00 61.69 62.33 3i1p s THR 110 Cb 0.00 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 68.84 3i1p s THR 110 CO 0.43 0.19 0.20 -0.83 -0.69 0.00 0.00 174.62 173.92 3i1p s GLY 111 N -1.95 1.02 0.00 4.40 0.00 -1.16 -1.19 107.32 108.45 3i1p s GLY 111 Ca 0.37 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.72 3i1p s GLY 111 CO 0.20 -1.16 0.00 2.41 0.00 0.00 0.00 173.10 174.54 3i1p n THR 112 N -0.24 0.00 -3.59 0.90 -1.04 -1.26 -4.13 114.28 104.92 3i1p n THR 112 Ca -0.02 0.00 0.02 0.00 -2.04 0.00 0.00 64.05 62.01 3i1p n THR 112 Cb 0.64 -0.15 -0.01 0.00 -1.82 0.00 0.00 70.33 68.99 3i1p n THR 112 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 3i1p s SER 113 N -1.41 -0.01 0.84 8.00 0.15 -1.26 -3.72 113.70 116.29 3i1p s SER 113 Ca 0.00 -0.01 -0.13 0.00 0.70 0.00 0.00 55.95 56.51 3i1p s SER 113 Cb 0.00 0.02 0.08 0.00 -1.71 0.00 0.00 66.02 64.41 3i1p s SER 113 CO 0.00 -0.04 1.01 2.29 1.20 0.00 0.00 173.24 177.70 3i1p n LYS 114 N -0.35 -0.01 -1.92 5.44 2.85 -1.25 -4.51 118.16 118.41 3i1p n LYS 114 Ca -0.05 0.07 -0.35 0.00 -1.05 0.00 0.00 58.31 56.93 3i1p n LYS 114 Cb 0.62 -2.28 0.04 0.00 -0.65 0.00 0.00 35.03 32.75 3i1p n LYS 114 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 3i1p n GLY 115 N 0.74 5.76 0.36 2.58 0.00 -1.26 -0.11 105.19 113.26 3i1p n GLY 115 Ca 0.12 -2.52 0.00 0.00 0.00 0.00 0.00 46.02 43.62 3i1p n GLY 115 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1p h LYS 116 N 2.64 1.15 0.00 1.61 1.79 -1.87 -3.49 116.57 118.41 3i1p h LYS 116 Ca 0.51 -0.07 0.29 0.00 -2.18 0.00 0.00 60.65 59.20 3i1p h LYS 116 Cb 0.48 -0.26 -0.07 0.00 -1.58 0.00 0.00 32.23 30.80 3i1p h LYS 116 CO 1.30 0.76 -0.38 0.41 -1.08 0.00 0.00 179.45 180.46 3i1p n GLY 117 N -1.36 -1.85 5.00 3.86 0.00 -1.04 -4.66 105.19 105.14 3i1p n GLY 117 Ca 0.13 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3i1p n GLY 117 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i1p n PHE 118 N -3.48 0.00 0.00 1.61 1.16 -1.26 -3.82 117.46 111.67 3i1p n PHE 118 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.59 3i1p n PHE 118 Cb 0.49 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 38.36 3i1p n PHE 118 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 3i1p n ALA 119 N 0.00 0.00 -1.44 1.98 0.00 -1.26 0.18 120.51 119.97 3i1p n ALA 119 Ca 0.00 0.00 0.17 0.00 0.00 0.00 0.00 53.44 53.61 3i1p n ALA 119 Cb 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.36 3i1p n ALA 119 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 120 N 0.00 -3.28 2.81 0.00 0.00 -1.26 -4.14 105.19 99.31 3i1p n GLY 120 Ca 0.00 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.81 3i1p n GLY 120 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3i1p n THR 121 N -4.34 0.00 0.00 2.61 -1.04 -1.26 -2.94 114.28 107.31 3i1p n THR 121 Ca -0.09 -0.54 0.00 0.00 -2.04 0.00 0.00 64.05 61.38 3i1p n THR 121 Cb 0.68 -1.37 0.00 0.00 -1.82 0.00 0.00 70.33 67.81 3i1p n THR 121 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3i1p n VAL 122 N -3.92 0.00 0.06 12.58 0.31 -1.26 -3.88 118.33 122.22 3i1p n VAL 122 Ca 0.12 0.00 0.19 0.00 -0.01 0.00 0.00 64.34 64.64 3i1p n VAL 122 Cb 0.45 0.00 0.72 0.00 -0.91 0.00 0.00 33.84 34.10 3i1p n VAL 122 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 3i1p h LYS 123 N 0.00 0.00 0.00 5.55 3.64 -1.81 0.30 116.57 124.25 3i1p h LYS 123 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3i1p h LYS 123 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 3i1p h LYS 123 CO 0.00 0.00 0.00 -2.13 -2.27 0.00 0.00 179.45 175.05 3i1p n ARG 124 N -4.16 0.00 -0.54 1.90 0.63 -1.15 -4.72 116.66 108.62 3i1p n ARG 124 Ca 0.07 0.16 0.10 0.00 -0.92 0.00 0.00 57.85 57.26 3i1p n ARG 124 Cb 0.54 -0.58 0.34 0.00 0.45 0.00 0.00 32.46 33.21 3i1p n ARG 124 CO 0.00 0.00 0.00 0.91 -2.51 0.00 0.00 177.63 176.03 3i1p n TRP 125 N -1.46 1.32 -3.32 -0.14 7.02 -1.19 -4.96 117.44 114.70 3i1p n TRP 125 Ca 0.00 -0.55 -0.14 0.00 -1.02 0.00 0.00 57.50 55.78 3i1p n TRP 125 Cb 0.00 -0.17 0.04 0.00 -2.42 0.00 0.00 31.31 28.75 3i1p n TRP 125 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 3i1p n ASN 126 N 1.24 -6.62 -4.31 -0.99 5.03 0.11 -4.79 115.26 104.93 3i1p n ASN 126 Ca 0.25 -0.59 -0.37 0.00 0.87 0.00 0.00 54.58 54.74 3i1p n ASN 126 Cb 0.80 -4.59 -0.13 0.00 -1.02 0.00 0.00 39.78 34.84 3i1p n ASN 126 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 3i1p s PHE 127 N -3.25 3.17 0.16 3.10 2.99 -1.25 -4.85 117.98 118.05 3i1p s PHE 127 Ca 0.28 -1.14 -0.32 0.00 0.00 0.00 0.00 56.93 55.76 3i1p s PHE 127 Cb -0.06 -2.24 -0.17 0.00 0.00 0.00 0.00 43.02 40.55 3i1p s PHE 127 CO 0.78 -0.63 0.85 0.54 -0.00 0.00 0.00 175.22 176.76 3i1p n ARG 128 N 4.84 0.46 -1.68 0.44 5.12 -1.26 -4.33 116.66 120.24 3i1p n ARG 128 Ca -0.14 0.16 -0.38 0.00 -1.93 0.00 0.00 57.85 55.56 3i1p n ARG 128 Cb 0.47 -1.43 0.05 0.00 -1.16 0.00 0.00 32.46 30.39 3i1p n ARG 128 CO 0.00 0.00 0.00 2.41 -1.93 0.00 0.00 177.63 178.11 3i1p n THR 129 N 0.69 3.98 -1.94 0.55 -1.04 -1.26 -4.96 114.28 110.30 3i1p n THR 129 Ca 0.17 -0.50 -0.32 0.00 -2.04 0.00 0.00 64.05 61.35 3i1p n THR 129 Cb 0.22 -1.40 0.02 0.00 -1.82 0.00 0.00 70.33 67.35 3i1p n THR 129 CO 0.00 0.00 0.00 -1.10 -0.64 0.00 0.00 175.07 173.33 3i1p s GLN 130 N -2.90 3.24 0.00 -2.82 -0.21 -0.28 -4.94 119.66 111.75 3i1p s GLN 130 Ca 0.75 1.13 -0.39 0.00 0.02 0.00 0.00 55.36 56.88 3i1p s GLN 130 Cb -0.42 -2.02 -0.19 0.00 1.00 0.00 0.00 33.01 31.38 3i1p s GLN 130 CO 0.47 -0.87 1.17 -0.40 -2.12 0.00 0.00 175.29 173.53 3i1p n ASP 131 N -2.29 0.49 0.10 5.90 3.85 -1.26 -4.77 116.55 118.56 3i1p n ASP 131 Ca 0.08 1.15 -0.18 0.00 -0.71 0.00 0.00 54.79 55.13 3i1p n ASP 131 Cb 0.53 -0.99 -0.14 0.00 -1.35 0.00 0.00 41.12 39.16 3i1p n ASP 131 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 3i1p h ALA 132 N 3.52 0.12 -3.00 2.12 0.00 -1.92 -3.46 119.26 116.64 3i1p h ALA 132 Ca -0.50 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.44 3i1p h ALA 132 Cb 1.40 0.15 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3i1p h ALA 132 CO 0.70 0.99 0.00 -2.37 0.00 0.00 0.00 179.25 178.57 3i1p n THR 133 N -3.54 0.00 -3.26 0.00 5.66 -1.26 -4.86 114.28 107.02 3i1p n THR 133 Ca -0.13 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 60.67 3i1p n THR 133 Cb 1.05 0.00 0.02 0.00 -1.55 0.00 0.00 70.33 69.84 3i1p n THR 133 CO 0.00 0.00 0.00 1.41 -3.05 0.00 0.00 175.07 173.43 3i1p n HIS 134 N 0.00 -2.90 0.00 1.09 -0.00 -1.26 -4.00 115.22 108.15 3i1p n HIS 134 Ca 0.00 1.18 0.00 0.00 -0.00 0.00 0.00 57.72 58.90 3i1p n HIS 134 Cb 0.00 -3.12 0.00 0.00 -0.00 0.00 0.00 29.99 26.87 3i1p n HIS 134 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 3i1p n GLY 135 N -0.75 1.51 2.00 -1.41 0.00 -1.26 -4.96 105.19 100.33 3i1p n GLY 135 Ca -0.04 0.36 0.00 0.00 0.00 0.00 0.00 46.02 46.34 3i1p n GLY 135 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1p n ASN 136 N 11.71 -6.95 -4.13 1.61 5.15 -1.26 -4.96 115.26 116.43 3i1p n ASN 136 Ca 0.00 1.36 -0.34 0.00 -0.60 0.00 0.00 54.58 55.00 3i1p n ASN 136 Cb 0.00 -4.31 -0.14 0.00 -0.53 0.00 0.00 39.78 34.80 3i1p n ASN 136 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 3i1p s SER 137 N -0.41 4.82 -1.34 1.20 0.01 -1.26 -4.83 113.70 111.89 3i1p s SER 137 Ca 0.00 -1.45 -0.04 0.00 1.31 0.00 0.00 55.95 55.77 3i1p s SER 137 Cb 0.00 -1.68 0.02 0.00 0.21 0.00 0.00 66.02 64.57 3i1p s SER 137 CO 0.00 -0.28 0.88 0.18 0.41 0.00 0.00 173.24 174.43 3i1p n LEU 138 N 4.55 -3.20 -2.80 2.44 7.99 -1.26 -4.93 117.00 119.78 3i1p n LEU 138 Ca -0.11 -0.74 -0.07 0.00 -0.01 0.00 0.00 56.01 55.08 3i1p n LEU 138 Cb 0.43 -2.78 0.02 0.00 -0.11 0.00 0.00 43.42 40.98 3i1p n LEU 138 CO 0.25 0.45 0.11 -1.20 -1.51 0.00 0.00 177.39 175.50 3i1p n SER 139 N -3.02 -2.99 -0.06 -1.43 7.64 -1.26 -4.95 113.62 107.55 3i1p n SER 139 Ca -0.18 -3.03 -0.11 0.00 1.01 0.00 0.00 58.87 56.56 3i1p n SER 139 Cb 0.63 1.59 -0.04 0.00 -1.01 0.00 0.00 64.21 65.39 3i1p n SER 139 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 3i1p n HIS 140 N 2.40 0.00 -0.57 1.43 8.25 -1.26 -4.50 115.22 120.97 3i1p n HIS 140 Ca 0.15 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.71 3i1p n HIS 140 Cb 0.58 -0.43 0.35 0.00 1.12 0.00 0.00 29.99 31.61 3i1p n HIS 140 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 3i1p n ARG 141 N -3.93 3.50 -2.75 -0.41 1.74 -1.26 -1.12 116.66 112.43 3i1p n ARG 141 Ca -0.19 -2.84 -0.28 0.00 -0.77 0.00 0.00 57.85 53.77 3i1p n ARG 141 Cb 0.49 -1.81 -0.01 0.00 -1.02 0.00 0.00 32.46 30.11 3i1p n ARG 141 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 3i1p s VAL 142 N -1.65 4.89 -0.01 1.55 -7.23 -1.26 -4.62 120.40 112.07 3i1p s VAL 142 Ca 0.50 0.28 -0.09 0.00 -1.81 0.00 0.00 61.98 60.86 3i1p s VAL 142 Cb 0.31 -3.83 -0.05 0.00 0.56 0.00 0.00 36.38 33.38 3i1p s VAL 142 CO 0.27 -0.73 0.69 -0.65 -0.31 0.00 0.00 175.10 174.36 3i1p h PRO 143 N 0.57 -0.32 -1.66 4.82 0.11 -1.97 -3.45 132.00 130.11 3i1p h PRO 143 Ca -0.47 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3i1p h PRO 143 Cb 1.20 0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3i1p h PRO 143 CO 0.62 -0.21 -0.18 0.41 -0.21 0.00 0.00 178.00 178.43 3i1p n GLY 144 N 0.14 -3.99 2.57 -0.55 0.00 -1.26 -4.99 105.19 97.11 3i1p n GLY 144 Ca -0.04 -0.67 -0.04 0.00 0.00 0.00 0.00 46.02 45.27 3i1p n GLY 144 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 3i1p n SER 145 N 0.37 -2.73 -0.71 1.61 2.88 -1.26 -4.95 113.62 108.83 3i1p n SER 145 Ca 0.00 1.30 0.08 0.00 -1.33 0.00 0.00 58.87 58.92 3i1p n SER 145 Cb 0.00 -5.07 0.12 0.00 -0.75 0.00 0.00 64.21 58.50 3i1p n SER 145 CO 0.00 0.00 0.00 2.30 -1.23 0.00 0.00 175.04 176.11 3i1p n ILE 146 N 1.31 0.35 0.00 2.46 -5.35 -1.26 -4.98 119.36 111.89 3i1p n ILE 146 Ca -0.28 -0.67 0.00 0.00 -0.27 0.00 0.00 62.75 61.53 3i1p n ILE 146 Cb 0.43 1.03 0.00 0.00 -1.74 0.00 0.00 39.64 39.36 3i1p n ILE 146 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i1p n GLY 147 N 0.88 3.25 0.75 3.28 0.00 -1.26 -4.59 105.19 107.49 3i1p n GLY 147 Ca 0.11 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.09 3i1p n GLY 147 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1p n GLN 148 N 0.00 0.00 -3.63 1.61 0.00 -1.26 -5.14 117.38 108.96 3i1p n GLN 148 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 57.00 56.95 3i1p n GLN 148 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 30.24 30.18 3i1p n GLN 148 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 3i1p s ASN 149 N -0.01 -0.17 0.00 2.61 2.47 -1.26 -5.06 114.94 113.53 3i1p s ASN 149 Ca 0.00 0.26 0.00 0.00 0.42 0.00 0.00 52.86 53.54 3i1p s ASN 149 Cb 0.00 0.25 0.00 0.00 -1.45 0.00 0.00 41.25 40.05 3i1p s ASN 149 CO 0.00 -0.10 0.00 1.67 -3.72 0.00 0.00 177.10 174.95 3i1p n GLN 150 N 1.22 0.00 -0.14 0.43 -0.06 -1.26 -2.99 117.38 114.59 3i1p n GLN 150 Ca -0.08 0.00 -0.04 0.00 -2.00 0.00 0.00 57.00 54.89 3i1p n GLN 150 Cb 0.57 0.00 -0.03 0.00 -4.06 0.00 0.00 30.24 26.72 3i1p n GLN 150 CO 0.00 0.00 0.00 2.41 -0.20 0.00 0.00 177.06 179.27 3i1p n THR 151 N 0.00 -0.22 0.34 1.69 -1.04 -1.26 0.91 114.28 114.70 3i1p n THR 151 Ca 0.00 1.42 -0.17 0.00 -2.04 0.00 0.00 64.05 63.25 3i1p n THR 151 Cb 0.00 -1.81 -0.09 0.00 -1.82 0.00 0.00 70.33 66.61 3i1p n THR 151 CO 0.00 0.00 0.00 -0.65 -0.64 0.00 0.00 175.07 173.78 3i1p h PRO 152 N 0.00 -0.85 -0.60 -2.82 0.11 -1.96 -3.45 132.00 122.43 3i1p h PRO 152 Ca 0.05 0.06 -0.26 0.00 0.11 0.00 0.00 66.00 65.96 3i1p h PRO 152 Cb 0.13 0.19 -0.10 0.00 0.11 0.00 0.00 31.00 31.34 3i1p h PRO 152 CO -0.31 -0.57 -0.23 0.41 -0.21 0.00 0.00 178.00 177.09 3i1p n GLY 153 N -1.49 1.35 3.62 -0.55 0.00 0.26 -4.96 105.19 103.43 3i1p n GLY 153 Ca -0.13 -0.44 -0.11 0.00 0.00 0.00 0.00 46.02 45.35 3i1p n GLY 153 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i1p s LYS 154 N -3.07 0.60 -0.15 1.61 -2.85 -1.26 -5.04 119.74 109.58 3i1p s LYS 154 Ca 0.00 0.57 -0.29 0.00 -1.00 0.00 0.00 55.97 55.24 3i1p s LYS 154 Cb 0.00 0.29 -0.01 0.00 -2.06 0.00 0.00 37.83 36.04 3i1p s LYS 154 CO 0.00 -0.10 1.20 0.08 0.10 0.00 0.00 175.35 176.63 3i1p s VAL 155 N -0.04 4.36 0.73 1.79 1.01 -1.26 -4.87 120.40 122.11 3i1p s VAL 155 Ca 0.01 1.65 -0.16 0.00 0.00 0.00 0.00 61.98 63.49 3i1p s VAL 155 Cb -0.04 -4.06 0.02 0.00 0.00 0.00 0.00 36.38 32.30 3i1p s VAL 155 CO -0.03 -0.10 1.14 0.49 0.00 0.00 0.00 175.10 176.59 3i1p n PHE 156 N 6.15 1.23 -1.84 5.22 3.72 -1.26 -4.91 117.46 125.76 3i1p n PHE 156 Ca 0.13 0.41 -0.42 0.00 -0.05 0.00 0.00 57.45 57.51 3i1p n PHE 156 Cb 0.46 -2.14 -0.03 0.00 -0.94 0.00 0.00 39.48 36.82 3i1p n PHE 156 CO 0.00 0.00 0.00 0.15 -0.05 0.00 0.00 176.76 176.86 3i1p s LYS 157 N -3.58 4.16 0.00 -1.08 -0.14 -1.26 -3.02 119.74 114.82 3i1p s LYS 157 Ca 0.76 2.40 0.00 0.00 -1.36 0.00 0.00 55.97 57.77 3i1p s LYS 157 Cb -0.34 -4.06 0.00 0.00 -1.68 0.00 0.00 37.83 31.75 3i1p s LYS 157 CO 0.47 -0.90 0.00 0.41 -0.76 0.00 0.00 175.35 174.58 3i1p n GLY 158 N 4.33 1.28 3.72 -3.33 0.00 -1.26 -5.08 105.19 104.85 3i1p n GLY 158 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 3i1p n GLY 158 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i1p s LYS 159 N -0.12 4.44 -0.21 1.61 -0.14 -1.17 -4.98 119.74 119.17 3i1p s LYS 159 Ca 0.00 1.85 -0.29 0.00 -1.36 0.00 0.00 55.97 56.17 3i1p s LYS 159 Cb 0.00 -3.30 -0.02 0.00 -1.68 0.00 0.00 37.83 32.83 3i1p s LYS 159 CO 0.00 -0.22 1.51 0.15 -0.76 0.00 0.00 175.35 176.03 3i1p s LYS 160 N 0.60 3.93 -0.48 1.68 1.02 -1.26 -4.91 119.74 120.31 3i1p s LYS 160 Ca 0.57 1.65 0.06 0.00 0.02 0.00 0.00 55.97 58.27 3i1p s LYS 160 Cb -0.32 -3.96 0.24 0.00 -0.52 0.00 0.00 37.83 33.28 3i1p s LYS 160 CO 0.32 -1.12 0.92 0.00 -0.92 0.00 0.00 175.35 174.55 3i1p n MET 161 N 7.38 0.75 -1.58 1.68 0.00 -1.26 -5.07 117.12 119.02 3i1p n MET 161 Ca 0.17 -1.68 0.00 0.00 0.00 0.00 0.00 57.70 56.19 3i1p n MET 161 Cb 0.45 -1.39 0.00 0.00 0.00 0.00 0.00 33.22 32.29 3i1p n MET 161 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 3i1p n ALA 162 N 1.60 -1.82 0.00 3.17 0.00 -1.26 -4.97 120.51 117.22 3i1p n ALA 162 Ca 0.08 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.93 3i1p n ALA 162 Cb 0.64 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.77 3i1p n ALA 162 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1p n GLY 163 N -1.43 3.41 0.49 0.00 0.00 -1.04 -4.81 105.19 101.81 3i1p n GLY 163 Ca 0.00 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.52 3i1p n GLY 163 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i1p n GLN 164 N 0.00 -0.07 -3.39 1.61 -0.06 0.13 -4.60 117.38 111.00 3i1p n GLN 164 Ca 0.00 0.09 -0.19 0.00 -2.00 0.00 0.00 57.00 54.90 3i1p n GLN 164 Cb 0.00 -0.08 -0.01 0.00 -4.06 0.00 0.00 30.24 26.09 3i1p n GLN 164 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3i1p s MET 165 N -0.04 2.89 0.43 3.69 0.23 -1.25 -4.83 119.30 120.43 3i1p s MET 165 Ca 0.00 -1.19 0.00 0.00 -1.03 0.00 0.00 55.69 53.47 3i1p s MET 165 Cb 0.00 -2.69 0.00 0.00 -1.53 0.00 0.00 34.83 30.61 3i1p s MET 165 CO 0.00 -0.07 0.00 0.41 -2.03 0.00 0.00 175.02 173.33 3i1p n GLY 166 N -1.65 -2.37 2.16 3.16 0.00 -1.26 -2.51 105.19 102.72 3i1p n GLY 166 Ca 0.03 -1.12 -0.08 0.00 0.00 0.00 0.00 46.02 44.85 3i1p n GLY 166 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3i1p n ASN 167 N -4.31 -2.08 0.00 1.61 5.15 0.85 -4.72 115.26 111.75 3i1p n ASN 167 Ca -0.02 -0.29 0.00 0.00 -0.60 0.00 0.00 54.58 53.67 3i1p n ASN 167 Cb 0.68 -2.69 0.00 0.00 -0.53 0.00 0.00 39.78 37.23 3i1p n ASN 167 CO 0.00 0.00 0.00 -1.84 1.40 0.00 0.00 177.26 176.82 3i1p n GLU 168 N -2.49 0.00 0.00 1.20 -0.00 -1.26 -4.96 120.64 113.13 3i1p n GLU 168 Ca -0.13 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.03 3i1p n GLU 168 Cb 0.58 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.02 3i1p n GLU 168 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.13 175.00 3i1p n ARG 169 N 0.00 0.00 -1.27 3.44 0.63 -1.24 -4.61 116.66 113.61 3i1p n ARG 169 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 3i1p n ARG 169 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 3i1p n ARG 169 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 3i1p n VAL 170 N 0.00 -1.46 -1.99 5.15 0.24 -1.26 -4.36 118.33 114.65 3i1p n VAL 170 Ca 0.00 0.71 0.00 0.00 -2.04 0.00 0.00 64.34 63.01 3i1p n VAL 170 Cb 0.00 -1.13 0.00 0.00 -1.47 0.00 0.00 33.84 31.24 3i1p n VAL 170 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3i1p n THR 171 N -2.03 0.00 -1.94 3.34 -2.24 -1.26 -2.97 114.28 107.18 3i1p n THR 171 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3i1p n THR 171 Cb 0.17 -0.67 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3i1p n THR 171 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 3i1p n VAL 172 N 0.00 0.00 -0.91 2.28 0.31 -0.84 -4.87 118.33 114.30 3i1p n VAL 172 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3i1p n VAL 172 Cb 0.00 0.37 0.00 0.00 -0.91 0.00 0.00 33.84 33.30 3i1p n VAL 172 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3i1p n GLN 173 N 0.00 0.00 -0.27 5.55 1.13 -1.07 -3.53 117.38 119.19 3i1p n GLN 173 Ca 0.00 0.00 0.22 0.00 -1.94 0.00 0.00 57.00 55.28 3i1p n GLN 173 Cb 0.63 0.00 0.41 0.00 0.11 0.00 0.00 30.24 31.38 3i1p n GLN 173 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 3i1p n SER 174 N -1.27 0.17 0.00 1.08 7.64 -1.26 -3.90 113.62 116.07 3i1p n SER 174 Ca 0.00 1.38 0.00 0.00 1.01 0.00 0.00 58.87 61.26 3i1p n SER 174 Cb 0.00 -0.62 0.00 0.00 -1.01 0.00 0.00 64.21 62.58 3i1p n SER 174 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i1p n LEU 175 N -4.96 0.00 0.00 -3.43 4.77 -1.23 -4.26 117.00 107.89 3i1p n LEU 175 Ca 0.28 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 3i1p n LEU 175 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 3i1p n LEU 175 CO -0.01 0.00 0.00 -0.67 -1.33 0.00 0.00 177.39 175.38 3i1p n ASP 176 N -1.88 0.00 -4.91 -1.43 -0.08 -1.10 -4.87 116.55 102.28 3i1p n ASP 176 Ca 0.00 0.00 -0.30 0.00 -1.51 0.00 0.00 54.79 52.98 3i1p n ASP 176 Cb 0.00 0.00 -0.04 0.00 2.34 0.00 0.00 41.12 43.42 3i1p n ASP 176 CO 0.00 0.00 0.00 0.68 0.12 0.00 0.00 177.20 178.00 3i1p s VAL 177 N 0.00 5.15 0.09 5.18 -7.23 -1.08 0.14 120.40 122.65 3i1p s VAL 177 Ca 0.00 -0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.09 3i1p s VAL 177 Cb 0.00 -3.68 -0.00 0.00 0.56 0.00 0.00 36.38 33.26 3i1p s VAL 177 CO 0.00 -0.09 -0.01 0.52 -0.31 0.00 0.00 175.10 175.21 3i1p n VAL 178 N -0.32 1.20 -4.41 1.32 0.31 -0.60 -4.85 118.33 110.97 3i1p n VAL 178 Ca -0.03 0.39 -0.25 0.00 -0.01 0.00 0.00 64.34 64.44 3i1p n VAL 178 Cb 0.53 -1.59 -0.11 0.00 -0.91 0.00 0.00 33.84 31.76 3i1p n VAL 178 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 3i1p s ARG 179 N -1.99 1.49 -0.04 5.55 0.52 -1.26 -5.00 118.95 118.21 3i1p s ARG 179 Ca -0.01 -1.55 -0.02 0.00 -0.52 0.00 0.00 55.73 53.64 3i1p s ARG 179 Cb 0.00 -1.70 0.03 0.00 0.52 0.00 0.00 34.95 33.81 3i1p s ARG 179 CO 0.01 0.35 0.09 0.08 0.02 0.00 0.00 175.30 175.85 3i1p s VAL 180 N -1.94 -0.09 -0.41 3.52 1.01 -1.26 -1.03 120.40 120.20 3i1p s VAL 180 Ca 0.21 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.46 3i1p s VAL 180 Cb -0.07 -0.17 0.14 0.00 0.00 0.00 0.00 36.38 36.29 3i1p s VAL 180 CO 0.10 0.10 0.24 -1.81 0.00 0.00 0.00 175.10 173.73 3i1p s ASP 181 N 1.41 3.36 0.00 3.32 1.01 0.32 -4.89 116.67 121.19 3i1p s ASP 181 Ca -0.06 -2.52 0.00 0.00 0.71 0.00 0.00 52.55 50.68 3i1p s ASP 181 Cb -0.12 -0.81 0.00 0.00 1.01 0.00 0.00 42.92 42.99 3i1p s ASP 181 CO -0.04 -0.27 0.45 0.00 0.21 0.00 0.00 175.17 175.51 3i1p n ALA 182 N 3.65 1.95 -0.10 5.23 0.00 -1.26 -1.52 120.51 128.46 3i1p n ALA 182 Ca 0.11 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.33 3i1p n ALA 182 Cb 0.36 -1.00 -0.12 0.00 0.00 0.00 0.00 19.45 18.69 3i1p n ALA 182 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3i1p h GLU 183 N 0.11 0.00 -0.96 0.00 3.07 -1.93 -3.42 114.58 111.46 3i1p h GLU 183 Ca 0.00 -0.00 -0.45 0.00 -0.50 0.00 0.00 59.36 58.41 3i1p h GLU 183 Cb 0.06 0.00 -0.41 0.00 -0.84 0.00 0.00 28.75 27.55 3i1p h GLU 183 CO 0.00 1.00 -0.95 2.89 -1.40 0.00 0.00 179.01 180.55 3i1p n ARG 184 N -4.43 2.56 -3.79 2.33 1.85 -1.03 -5.01 116.66 109.13 3i1p n ARG 184 Ca -0.31 -3.90 -0.27 0.00 -1.00 0.00 0.00 57.85 52.37 3i1p n ARG 184 Cb 0.68 -1.88 0.01 0.00 -1.05 0.00 0.00 32.46 30.23 3i1p n ARG 184 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3i1p n ASN 185 N -0.47 -2.39 -4.01 2.89 3.02 -0.57 -4.93 115.26 108.80 3i1p n ASN 185 Ca 0.26 -0.97 -0.24 0.00 -0.03 0.00 0.00 54.58 53.60 3i1p n ASN 185 Cb 0.81 -3.39 -0.16 0.00 -0.61 0.00 0.00 39.78 36.42 3i1p n ASN 185 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3i1p s LEU 186 N -6.71 1.63 0.04 3.41 1.02 -0.64 -2.10 118.68 115.33 3i1p s LEU 186 Ca 0.18 -0.28 0.08 0.00 0.02 0.00 0.00 54.13 54.13 3i1p s LEU 186 Cb -0.06 -0.78 -0.03 0.00 0.02 0.00 0.00 46.19 45.34 3i1p s LEU 186 CO 0.86 0.03 -0.21 -0.22 0.02 0.00 0.00 176.35 176.83 3i1p s LEU 187 N 0.63 2.45 -0.03 1.79 2.96 -0.07 0.12 118.68 126.53 3i1p s LEU 187 Ca -0.13 -0.49 0.07 0.00 -0.22 0.00 0.00 54.13 53.36 3i1p s LEU 187 Cb -0.15 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.09 3i1p s LEU 187 CO 0.03 0.26 -0.25 -0.76 -1.32 0.00 0.00 176.35 174.31 3i1p s LEU 188 N -1.38 2.05 -0.06 -0.68 1.43 -0.19 -1.90 118.68 117.94 3i1p s LEU 188 Ca 0.14 -0.46 0.00 0.00 -1.03 0.00 0.00 54.13 52.78 3i1p s LEU 188 Cb -0.10 -1.29 0.02 0.00 0.03 0.00 0.00 46.19 44.85 3i1p s LEU 188 CO 0.04 0.29 -0.05 0.68 0.23 0.00 0.00 176.35 177.54 3i1p s VAL 189 N -0.49 0.63 -0.15 -1.59 -7.23 -1.11 -1.56 120.40 108.90 3i1p s VAL 189 Ca 0.07 -0.13 -0.29 0.00 -1.81 0.00 0.00 61.98 59.82 3i1p s VAL 189 Cb -0.10 -0.68 -0.04 0.00 0.56 0.00 0.00 36.38 36.12 3i1p s VAL 189 CO 0.00 0.27 1.62 -0.75 -0.31 0.00 0.00 175.10 175.93 3i1p s LYS 190 N 1.25 3.96 0.00 4.82 2.20 0.37 -0.19 119.74 132.15 3i1p s LYS 190 Ca -0.05 1.88 0.00 0.00 -0.36 0.00 0.00 55.97 57.43 3i1p s LYS 190 Cb -0.14 -4.01 0.00 0.00 -1.51 0.00 0.00 37.83 32.18 3i1p s LYS 190 CO -0.02 -1.10 0.00 0.41 -0.36 0.00 0.00 175.35 174.28 3i1p n GLY 191 N 4.41 1.86 3.73 5.54 0.00 0.25 -4.46 105.19 116.52 3i1p n GLY 191 Ca 0.18 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.64 3i1p n GLY 191 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p s ALA 192 N -1.74 3.29 0.11 4.61 0.00 -1.26 -4.04 121.76 122.72 3i1p s ALA 192 Ca 0.00 0.35 0.09 0.00 0.00 0.00 0.00 51.96 52.39 3i1p s ALA 192 Cb 0.00 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.97 3i1p s ALA 192 CO 0.00 -0.07 -0.22 0.14 0.00 0.00 0.00 175.76 175.61 3i1p s VAL 193 N 0.47 1.78 0.00 0.00 -7.23 -1.26 -5.06 120.40 109.10 3i1p s VAL 193 Ca 0.43 -1.58 0.00 0.00 -1.81 0.00 0.00 61.98 59.02 3i1p s VAL 193 Cb -0.20 -1.62 0.00 0.00 0.56 0.00 0.00 36.38 35.12 3i1p s VAL 193 CO 0.24 -0.05 0.00 -0.81 -0.31 0.00 0.00 175.10 174.17 3i1p n PRO 194 N 1.04 3.48 0.00 4.82 -0.04 -1.26 -4.88 135.00 138.16 3i1p n PRO 194 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 3i1p n PRO 194 Cb 0.54 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.00 3i1p n PRO 194 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1p n GLY 195 N 0.00 0.88 3.04 0.55 0.00 -1.25 -4.71 105.19 103.69 3i1p n GLY 195 Ca 0.00 -0.73 -0.05 0.00 0.00 0.00 0.00 46.02 45.24 3i1p n GLY 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1p s ALA 196 N -1.64 -1.69 -0.09 4.61 0.00 -1.26 -3.96 121.76 117.73 3i1p s ALA 196 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 51.96 51.91 3i1p s ALA 196 Cb 0.00 -2.45 0.00 0.00 0.00 0.00 0.00 23.12 20.68 3i1p s ALA 196 CO 0.00 -2.10 0.08 2.41 0.00 0.00 0.00 175.76 176.15 3i1p n THR 197 N 4.58 -0.45 0.00 0.00 -1.04 -1.26 -3.41 114.28 112.70 3i1p n THR 197 Ca 0.09 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.10 3i1p n THR 197 Cb 0.52 -0.40 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 3i1p n THR 197 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3i1p n GLY 198 N -0.40 3.81 3.42 3.41 0.00 -0.44 -4.93 105.19 110.06 3i1p n GLY 198 Ca -0.03 -0.57 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 3i1p n GLY 198 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1p n SER 199 N 0.00 -1.72 -4.86 1.61 3.41 -1.22 -4.72 113.62 106.12 3i1p n SER 199 Ca 0.00 0.02 -0.31 0.00 -0.26 0.00 0.00 58.87 58.32 3i1p n SER 199 Cb 0.00 -1.18 -0.04 0.00 -0.26 0.00 0.00 64.21 62.73 3i1p n SER 199 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3i1p s ASP 200 N -2.18 6.63 -0.02 4.04 1.01 -1.26 -3.41 116.67 121.47 3i1p s ASP 200 Ca 0.62 1.23 0.02 0.00 0.71 0.00 0.00 52.55 55.14 3i1p s ASP 200 Cb -0.20 -2.36 0.01 0.00 1.01 0.00 0.00 42.92 41.38 3i1p s ASP 200 CO 0.65 -0.35 -0.07 -0.76 0.21 0.00 0.00 175.17 174.84 3i1p s LEU 201 N -3.56 1.75 -0.43 1.23 1.43 -1.00 -4.19 118.68 113.90 3i1p s LEU 201 Ca 0.53 -0.16 -0.15 0.00 -1.03 0.00 0.00 54.13 53.32 3i1p s LEU 201 Cb -0.10 -0.48 0.04 0.00 0.03 0.00 0.00 46.19 45.68 3i1p s LEU 201 CO 0.26 0.04 0.33 -0.63 0.23 0.00 0.00 176.35 176.58 3i1p s ILE 202 N 0.26 5.21 -0.10 -0.59 1.09 -0.33 -1.75 121.20 124.98 3i1p s ILE 202 Ca -0.04 -0.82 -0.02 0.00 -1.10 0.00 0.00 60.65 58.67 3i1p s ILE 202 Cb -0.08 -3.98 -0.03 0.00 -1.06 0.00 0.00 42.46 37.31 3i1p s ILE 202 CO 0.00 -0.40 -0.00 0.54 -0.10 0.00 0.00 174.94 174.98 3i1p s VAL 203 N 1.66 4.28 -0.21 2.92 0.11 -0.74 0.62 120.40 129.04 3i1p s VAL 203 Ca 0.05 -0.25 -0.13 0.00 -2.93 0.00 0.00 61.98 58.71 3i1p s VAL 203 Cb -0.21 -2.82 0.06 0.00 -1.53 0.00 0.00 36.38 31.89 3i1p s VAL 203 CO 0.09 0.58 0.52 -0.75 -3.33 0.00 0.00 175.10 172.20 3i1p s LYS 204 N -0.60 0.53 -0.20 1.54 2.36 -1.26 -1.27 119.74 120.85 3i1p s LYS 204 Ca 0.10 0.90 -0.43 0.00 -2.55 0.00 0.00 55.97 53.99 3i1p s LYS 204 Cb -0.12 0.10 -0.20 0.00 -1.05 0.00 0.00 37.83 36.56 3i1p s LYS 204 CO 0.02 -0.14 1.28 -0.35 1.55 0.00 0.00 175.35 177.72 3i1p n PRO 205 N 3.95 0.02 -1.67 4.03 -0.04 -1.26 0.14 135.00 140.17 3i1p n PRO 205 Ca -0.20 0.01 -0.41 0.00 -0.04 0.00 0.00 63.50 62.86 3i1p n PRO 205 Cb 0.57 -1.51 0.02 0.00 -0.04 0.00 0.00 33.50 32.53 3i1p n PRO 205 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3i1p n ALA 206 N 2.52 0.87 0.06 0.55 0.00 -1.26 -4.59 120.51 118.65 3i1p n ALA 206 Ca 0.24 0.23 -0.04 0.00 0.00 0.00 0.00 53.44 53.88 3i1p n ALA 206 Cb 0.03 -2.20 -0.02 0.00 0.00 0.00 0.00 19.45 17.26 3i1p n ALA 206 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1p h VAL 207 N 1.78 0.00 0.27 0.00 2.07 -1.92 -3.39 116.25 115.06 3i1p h VAL 207 Ca -0.47 -0.76 -0.00 0.00 0.82 0.00 0.00 66.70 66.28 3i1p h VAL 207 Cb 1.31 0.00 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 3i1p h VAL 207 CO 0.58 0.00 -0.40 0.11 0.02 0.00 0.00 177.57 177.88 3i1p h LYS 208 N -1.02 -0.68 0.00 1.57 6.56 -1.98 -3.53 116.57 117.50 3i1p h LYS 208 Ca -0.03 0.05 0.00 0.00 -1.06 0.00 0.00 60.65 59.61 3i1p h LYS 208 Cb 0.19 0.15 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3i1p h LYS 208 CO 0.04 -0.45 0.00 0.00 -2.06 0.00 0.00 179.45 176.98