#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 h PRO 2 N 0.00 0.10 0.00 0.03 0.13 -2.07 -3.46 132.00 126.73 1i16 h PRO 2 Ca 0.00 -0.15 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1i16 h PRO 2 Cb 0.00 0.05 0.00 0.00 0.13 0.00 0.00 31.00 31.18 1i16 h PRO 2 CO 0.00 1.02 0.00 -0.25 -0.23 0.00 0.00 178.00 178.54 1i16 n ASP 3 N -4.49 0.00 -3.62 1.44 8.00 -1.26 -4.56 116.55 112.06 1i16 n ASP 3 Ca -0.11 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.33 1i16 n ASP 3 Cb 0.55 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.60 1i16 n ASP 3 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 1i16 s LEU 4 N 0.00 -0.24 0.00 0.64 2.34 -1.26 -5.18 118.68 114.98 1i16 s LEU 4 Ca 0.00 0.36 0.00 0.00 0.06 0.00 0.00 54.13 54.55 1i16 s LEU 4 Cb 0.00 1.51 0.00 0.00 -0.56 0.00 0.00 46.19 47.14 1i16 s LEU 4 CO 0.00 -0.15 0.00 -0.46 -1.06 0.00 0.00 176.35 174.68 1i16 n ASN 5 N 1.24 0.00 -3.97 1.48 0.23 -1.26 -5.15 115.26 107.82 1i16 n ASN 5 Ca -0.08 0.00 -0.27 0.00 -0.53 0.00 0.00 54.58 53.69 1i16 n ASN 5 Cb 0.57 0.00 0.17 0.00 -2.08 0.00 0.00 39.78 38.44 1i16 n ASN 5 CO 0.00 0.00 0.00 -0.24 -0.93 0.00 0.00 177.26 176.09 1i16 n SER 6 N 0.00 -2.71 0.00 0.53 2.88 -1.26 -5.02 113.62 108.04 1i16 n SER 6 Ca 0.00 -0.26 0.00 0.00 -1.33 0.00 0.00 58.87 57.28 1i16 n SER 6 Cb 0.00 -0.87 0.00 0.00 -0.75 0.00 0.00 64.21 62.59 1i16 n SER 6 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 1i16 n SER 7 N -1.54 0.00 -0.08 -3.46 3.41 -1.26 -5.04 113.62 105.65 1i16 n SER 7 Ca 0.03 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.55 1i16 n SER 7 Cb 0.53 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.38 1i16 n SER 7 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i16 n THR 8 N 0.00 1.00 -2.17 6.66 -2.24 -1.26 -4.85 114.28 111.42 1i16 n THR 8 Ca 0.00 -0.53 -0.39 0.00 -2.27 0.00 0.00 64.05 60.86 1i16 n THR 8 Cb 0.00 -0.80 -0.03 0.00 -2.10 0.00 0.00 70.33 67.40 1i16 n THR 8 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1i16 s ASP 9 N -5.10 5.49 -0.12 3.42 2.15 -1.26 -4.92 116.67 116.33 1i16 s ASP 9 Ca -0.13 0.12 -0.04 0.00 0.43 0.00 0.00 52.55 52.93 1i16 s ASP 9 Cb 0.05 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 40.19 1i16 s ASP 9 CO 0.53 -2.25 0.21 -0.55 -0.17 0.00 0.00 175.17 172.93 1i16 s SER 10 N 7.04 0.73 0.32 -0.34 0.15 -1.26 -5.15 113.70 115.19 1i16 s SER 10 Ca 0.59 0.32 0.10 0.00 0.70 0.00 0.00 55.95 57.66 1i16 s SER 10 Cb -0.11 0.44 -0.05 0.00 -1.71 0.00 0.00 66.02 64.58 1i16 s SER 10 CO 0.19 -0.26 -0.06 0.00 1.20 0.00 0.00 173.24 174.31 1i16 s ALA 11 N 2.34 3.05 -0.25 5.45 0.00 -1.26 -5.06 121.76 126.03 1i16 s ALA 11 Ca 0.03 -1.95 -0.06 0.00 0.00 0.00 0.00 51.96 49.98 1i16 s ALA 11 Cb -0.13 -0.31 -0.17 0.00 0.00 0.00 0.00 23.12 22.52 1i16 s ALA 11 CO -0.08 0.13 -0.17 0.00 0.00 0.00 0.00 175.76 175.65 1i16 n ALA 12 N -0.84 1.24 -3.55 0.00 0.00 -1.26 -5.06 120.51 111.04 1i16 n ALA 12 Ca -0.05 -1.00 -0.07 0.00 0.00 0.00 0.00 53.44 52.33 1i16 n ALA 12 Cb 0.62 -0.13 -0.02 0.00 0.00 0.00 0.00 19.45 19.92 1i16 n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 s SER 13 N -6.94 -0.28 0.07 0.00 0.15 -1.26 -5.04 113.70 100.40 1i16 s SER 13 Ca -0.34 -0.04 -0.19 0.00 0.70 0.00 0.00 55.95 56.08 1i16 s SER 13 Cb 0.10 0.32 -0.07 0.00 -1.71 0.00 0.00 66.02 64.67 1i16 s SER 13 CO 0.58 -0.53 1.31 0.00 1.20 0.00 0.00 173.24 175.80 1i16 h ALA 14 N 2.00 -0.64 -0.23 5.45 0.00 -2.03 -3.39 119.26 120.41 1i16 h ALA 14 Ca -0.19 -0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.43 1i16 h ALA 14 Cb 1.22 0.88 -0.18 0.00 0.00 0.00 0.00 17.79 19.71 1i16 h ALA 14 CO 0.28 -0.77 -0.53 0.45 0.00 0.00 0.00 179.25 178.68 1i16 n SER 15 N -4.22 -1.94 -0.08 0.00 2.88 -1.26 -4.95 113.62 104.05 1i16 n SER 15 Ca -0.03 -3.56 -0.05 0.00 -1.33 0.00 0.00 58.87 53.90 1i16 n SER 15 Cb 0.21 1.59 -0.16 0.00 -0.75 0.00 0.00 64.21 65.09 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 16 N 0.30 1.83 -1.00 -1.46 0.00 -1.26 -4.96 120.51 113.96 1i16 n ALA 16 Ca 0.08 -1.12 0.00 0.00 0.00 0.00 0.00 53.44 52.40 1i16 n ALA 16 Cb 0.70 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.84 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 17 N -2.62 0.00 -0.53 0.00 0.00 -1.26 -4.86 120.51 111.25 1i16 n ALA 17 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.19 1i16 n ALA 17 Cb 1.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.45 1i16 n ALA 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 18 N -2.11 0.00 -2.71 0.00 7.64 -1.26 -4.99 113.62 110.19 1i16 n SER 18 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 58.87 59.83 1i16 n SER 18 Cb 0.00 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.21 1i16 n SER 18 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1i16 n ASP 19 N -0.64 -7.50 -4.88 6.43 2.03 -1.26 -4.99 116.55 105.74 1i16 n ASP 19 Ca 0.00 0.71 -0.30 0.00 0.52 0.00 0.00 54.79 55.72 1i16 n ASP 19 Cb 0.00 -5.04 -0.03 0.00 -0.72 0.00 0.00 41.12 35.33 1i16 n ASP 19 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1i16 s VAL 20 N -2.23 4.85 0.33 5.18 1.01 -1.26 -5.04 120.40 123.24 1i16 s VAL 20 Ca 0.17 0.48 -0.28 0.00 0.00 0.00 0.00 61.98 62.35 1i16 s VAL 20 Cb -0.05 -3.73 -0.09 0.00 0.00 0.00 0.00 36.38 32.51 1i16 s VAL 20 CO 0.71 -0.46 1.15 -0.94 0.00 0.00 0.00 175.10 175.56 1i16 s SER 21 N -3.14 6.93 0.41 3.32 1.04 -1.26 -5.04 113.70 115.96 1i16 s SER 21 Ca 0.49 2.35 0.03 0.00 0.48 0.00 0.00 55.95 59.31 1i16 s SER 21 Cb -0.10 -2.62 -0.04 0.00 0.10 0.00 0.00 66.02 63.36 1i16 s SER 21 CO 0.31 -0.39 0.08 0.68 0.98 0.00 0.00 173.24 174.89 1i16 s VAL 22 N -1.27 0.95 0.49 5.02 -7.23 -1.26 -5.08 120.40 112.03 1i16 s VAL 22 Ca 0.50 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.67 1i16 s VAL 22 Cb -0.32 -2.47 0.00 0.00 0.56 0.00 0.00 36.38 34.15 1i16 s VAL 22 CO 0.41 0.00 0.00 -0.62 -0.31 0.00 0.00 175.10 174.58 1i16 n GLU 23 N -0.93 -3.13 -3.16 4.82 1.02 -1.26 -4.91 120.64 113.09 1i16 n GLU 23 Ca -0.08 2.35 -0.18 0.00 -0.02 0.00 0.00 57.16 59.24 1i16 n GLU 23 Cb 0.66 -3.73 0.02 0.00 -0.02 0.00 0.00 31.44 28.37 1i16 n GLU 23 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 1i16 n SER 24 N -4.31 -6.92 0.00 1.62 3.41 -1.26 -4.98 113.62 101.18 1i16 n SER 24 Ca -0.04 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.68 1i16 n SER 24 Cb 0.67 -3.93 0.00 0.00 -0.26 0.00 0.00 64.21 60.69 1i16 n SER 24 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i16 n THR 25 N -0.68 0.00 -2.78 6.66 -2.24 -1.26 -5.00 114.28 108.97 1i16 n THR 25 Ca 0.00 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.77 1i16 n THR 25 Cb 0.55 -0.42 0.07 0.00 -2.10 0.00 0.00 70.33 68.44 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 26 N -1.55 2.69 -1.68 6.98 0.00 -1.26 -4.95 120.51 120.74 1i16 n ALA 26 Ca 0.00 -2.27 -0.10 0.00 0.00 0.00 0.00 53.44 51.07 1i16 n ALA 26 Cb 0.00 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 1i16 n ALA 26 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1i16 n GLU 27 N -0.82 -1.61 -0.44 0.00 1.02 -1.26 -4.48 120.64 113.04 1i16 n GLU 27 Ca 0.00 0.55 -0.28 0.00 -0.02 0.00 0.00 57.16 57.41 1i16 n GLU 27 Cb 0.82 -4.87 0.27 0.00 -0.02 0.00 0.00 31.44 27.64 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N -0.68 -3.23 -2.49 0.62 0.00 -1.26 -4.77 120.51 108.69 1i16 n ALA 28 Ca -0.11 -1.29 -0.31 0.00 0.00 0.00 0.00 53.44 51.74 1i16 n ALA 28 Cb 0.42 -1.96 -0.16 0.00 0.00 0.00 0.00 19.45 17.74 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -2.37 2.03 0.05 0.00 -4.23 0.21 -4.96 115.64 106.36 1i16 s THR 29 Ca 0.69 -1.08 0.09 0.00 -1.18 0.00 0.00 61.69 60.21 1i16 s THR 29 Cb -0.25 -1.69 -0.03 0.00 1.34 0.00 0.00 72.50 71.86 1i16 s THR 29 CO 0.66 0.57 -0.25 -0.69 -0.54 0.00 0.00 174.62 174.36 1i16 s VAL 30 N -0.42 2.24 -0.38 2.29 1.01 -1.26 -0.08 120.40 123.80 1i16 s VAL 30 Ca 0.04 -1.39 0.01 0.00 0.00 0.00 0.00 61.98 60.64 1i16 s VAL 30 Cb -0.11 -1.89 0.15 0.00 0.00 0.00 0.00 36.38 34.52 1i16 s VAL 30 CO 0.01 0.34 0.24 0.00 0.00 0.00 0.00 175.10 175.69 1i16 s THR 32 N 0.75 3.52 0.10 0.00 2.01 -1.26 -3.44 115.64 117.31 1i16 s THR 32 Ca 0.21 1.03 -0.07 0.00 0.31 0.00 0.00 61.69 63.17 1i16 s THR 32 Cb -0.18 -3.66 -0.01 0.00 0.01 0.00 0.00 72.50 68.66 1i16 s THR 32 CO -0.03 0.05 0.16 0.68 -0.69 0.00 0.00 174.62 174.79 1i16 s VAL 33 N 1.62 0.14 -0.07 3.82 -7.23 -0.37 -4.98 120.40 113.33 1i16 s VAL 33 Ca 0.64 -1.38 0.05 0.00 -1.81 0.00 0.00 61.98 59.48 1i16 s VAL 33 Cb -0.34 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.07 1i16 s VAL 33 CO 0.29 -0.62 -0.24 0.42 -0.31 0.00 0.00 175.10 174.64 1i16 s THR 34 N -3.91 1.98 0.27 5.32 -4.23 -1.26 0.20 115.64 114.02 1i16 s THR 34 Ca 0.09 -1.01 0.06 0.00 -1.18 0.00 0.00 61.69 59.65 1i16 s THR 34 Cb 0.05 -1.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.17 1i16 s THR 34 CO -0.08 0.55 0.37 -0.76 -0.54 0.00 0.00 174.62 174.17 1i16 s LEU 35 N 0.07 4.15 -0.41 4.79 2.01 0.84 -4.41 118.68 125.73 1i16 s LEU 35 Ca -0.10 -0.05 -0.07 0.00 0.01 0.00 0.00 54.13 53.92 1i16 s LEU 35 Cb -0.15 -2.76 0.08 0.00 0.01 0.00 0.00 46.19 43.37 1i16 s LEU 35 CO 0.06 -0.18 0.23 -1.83 1.01 0.00 0.00 176.35 175.64 1i16 s GLU 36 N -4.02 2.47 -0.05 1.70 -1.05 -1.25 0.26 118.70 116.75 1i16 s GLU 36 Ca 0.37 -1.53 -0.28 0.00 -0.15 0.00 0.00 54.97 53.39 1i16 s GLU 36 Cb -0.09 -3.69 -0.03 0.00 -0.44 0.00 0.00 34.13 29.88 1i16 s GLU 36 CO 0.29 -0.96 0.91 0.21 0.95 0.00 0.00 175.26 176.66 1i16 s LYS 37 N 1.35 4.48 0.00 -4.83 2.20 0.14 -4.76 119.74 118.31 1i16 s LYS 37 Ca 0.03 1.25 0.00 0.00 -0.36 0.00 0.00 55.97 56.89 1i16 s LYS 37 Cb -0.23 -3.49 0.00 0.00 -1.51 0.00 0.00 37.83 32.61 1i16 s LYS 37 CO 0.00 -0.11 0.00 0.00 -0.36 0.00 0.00 175.35 174.89 1i16 n MET 38 N 4.24 0.25 0.00 4.03 0.00 -1.26 -2.04 117.12 122.34 1i16 n MET 38 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 57.70 57.75 1i16 n MET 38 Cb 0.50 -0.61 0.00 0.00 0.00 0.00 0.00 33.22 33.12 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 175.97 176.42 1i16 n SER 39 N -1.45 0.00 0.00 3.17 2.88 -1.26 -4.99 113.62 111.97 1i16 n SER 39 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1i16 n SER 39 Cb 0.11 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.57 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 40 N 0.00 0.00 0.00 -1.46 0.00 -1.26 -5.05 120.51 112.74 1i16 n ALA 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 40 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1i16 n ALA 40 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 41 N 0.00 0.80 1.42 0.00 0.00 -1.26 -4.45 105.19 101.70 1i16 n GLY 41 Ca 0.00 -0.75 -0.02 0.00 0.00 0.00 0.00 46.02 45.25 1i16 n GLY 41 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 42 N 0.00 -0.17 0.00 0.99 4.77 -1.26 0.10 117.00 121.43 1i16 n LEU 42 Ca 0.00 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i16 n LEU 42 Cb 0.00 -0.83 0.00 0.00 -2.33 0.00 0.00 43.42 40.26 1i16 n LEU 42 CO 0.00 -0.10 0.00 0.61 -1.33 0.00 0.00 177.39 176.57 1i16 n GLY 43 N -0.14 0.00 3.12 -0.72 0.00 -1.26 -4.85 105.19 101.34 1i16 n GLY 43 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.90 1i16 n GLY 43 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1i16 s PHE 44 N -0.83 0.20 0.15 1.61 -0.12 0.11 0.23 117.98 119.33 1i16 s PHE 44 Ca 0.00 -0.50 0.10 0.00 -0.05 0.00 0.00 56.93 56.48 1i16 s PHE 44 Cb 0.00 -0.14 -0.04 0.00 -0.63 0.00 0.00 43.02 42.21 1i16 s PHE 44 CO 0.00 -0.37 -0.19 -1.54 -0.05 0.00 0.00 175.22 173.07 1i16 s SER 45 N -2.14 3.75 0.00 1.98 1.04 -0.75 -4.87 113.70 112.71 1i16 s SER 45 Ca -0.05 -0.67 0.01 0.00 0.48 0.00 0.00 55.95 55.73 1i16 s SER 45 Cb -0.01 -0.45 -0.04 0.00 0.10 0.00 0.00 66.02 65.62 1i16 s SER 45 CO -0.05 0.15 0.01 -0.76 0.98 0.00 0.00 173.24 173.58 1i16 s LEU 46 N -2.37 3.58 0.23 2.42 1.02 -1.26 -2.79 118.68 119.51 1i16 s LEU 46 Ca 0.19 0.01 0.10 0.00 0.02 0.00 0.00 54.13 54.45 1i16 s LEU 46 Cb -0.10 -2.07 -0.04 0.00 0.02 0.00 0.00 46.19 44.00 1i16 s LEU 46 CO 0.10 0.27 -0.11 -1.61 0.02 0.00 0.00 176.35 175.02 1i16 s GLU 47 N -1.63 1.96 -0.14 1.70 2.02 0.38 -4.72 118.70 118.26 1i16 s GLU 47 Ca 0.20 -1.48 -0.05 0.00 0.02 0.00 0.00 54.97 53.67 1i16 s GLU 47 Cb -0.12 -2.02 0.07 0.00 0.10 0.00 0.00 34.13 32.17 1i16 s GLU 47 CO 0.11 0.38 0.26 0.20 0.02 0.00 0.00 175.26 176.24 1i16 s GLY 48 N -3.24 -0.11 -0.68 -1.39 0.00 -1.26 0.77 107.32 101.41 1i16 s GLY 48 Ca 0.28 0.83 -0.05 0.00 0.00 0.00 0.00 44.72 45.78 1i16 s GLY 48 CO 0.16 2.02 2.23 0.61 0.00 0.00 0.00 173.10 178.13 1i16 n GLY 49 N 5.35 2.90 2.80 0.20 0.00 -1.26 -4.18 105.19 110.99 1i16 n GLY 49 Ca -0.06 -0.84 -0.40 0.00 0.00 0.00 0.00 46.02 44.72 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 3.71 0.00 0.00 1.61 2.85 -1.26 -4.38 118.16 120.69 1i16 n LYS 50 Ca 0.41 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.67 1i16 n LYS 50 Cb 0.26 -1.24 0.00 0.00 -0.65 0.00 0.00 35.03 33.41 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1i16 n GLY 51 N 5.69 0.98 0.00 2.58 0.00 -1.26 -5.03 105.19 108.15 1i16 n GLY 51 Ca 0.51 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.53 1i16 n GLY 51 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1i16 n SER 52 N 0.00 0.36 0.22 1.61 7.64 -1.26 -4.90 113.62 117.28 1i16 n SER 52 Ca 0.00 0.00 0.15 0.00 1.01 0.00 0.00 58.87 60.03 1i16 n SER 52 Cb 0.00 0.00 0.64 0.00 -1.01 0.00 0.00 64.21 63.84 1i16 n SER 52 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 1i16 h LEU 53 N 0.00 0.00 -3.35 -3.43 3.38 -2.02 -2.93 115.31 106.97 1i16 h LEU 53 Ca 0.00 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.80 1i16 h LEU 53 Cb 0.00 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.55 1i16 h LEU 53 CO 0.00 0.00 -0.73 1.41 0.09 0.00 0.00 178.44 179.21 1i16 n HIS 54 N -2.70 0.66 0.00 1.13 8.25 -1.26 -4.77 115.22 116.53 1i16 n HIS 54 Ca 0.01 -1.49 0.00 0.00 -0.26 0.00 0.00 57.72 55.97 1i16 n HIS 54 Cb 0.25 -0.25 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i16 n GLY 55 N -0.66 0.00 1.89 -1.41 0.00 -1.11 -5.11 105.19 98.79 1i16 n GLY 55 Ca 0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.22 1i16 n GLY 55 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1i16 n ASP 56 N -2.17 -9.06 -3.93 1.61 9.92 -1.21 -4.82 116.55 106.89 1i16 n ASP 56 Ca 0.00 1.32 -0.30 0.00 -0.53 0.00 0.00 54.79 55.28 1i16 n ASP 56 Cb 0.25 -4.90 -0.14 0.00 -0.64 0.00 0.00 41.12 35.68 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.13 0.00 0.00 177.20 175.74 1i16 s LYS 57 N -1.63 1.95 -1.15 -1.24 0.00 -1.26 -4.63 119.74 111.79 1i16 s LYS 57 Ca 0.00 -2.62 -0.21 0.00 0.00 0.00 0.00 55.97 53.14 1i16 s LYS 57 Cb 0.00 -3.24 0.06 0.00 0.00 0.00 0.00 37.83 34.64 1i16 s LYS 57 CO 0.00 -1.13 1.59 -1.25 0.00 0.00 0.00 175.35 174.57 1i16 s PRO 58 N -0.32 3.75 0.61 1.78 0.04 -1.26 -4.56 135.00 135.04 1i16 s PRO 58 Ca 0.18 -1.51 -0.18 0.00 0.04 0.00 0.00 61.00 59.53 1i16 s PRO 58 Cb -0.24 -5.44 -0.11 0.00 0.04 0.00 0.00 34.50 28.75 1i16 s PRO 58 CO -0.01 -2.26 0.11 1.28 0.04 0.00 0.00 177.00 176.16 1i16 n LEU 59 N 8.76 -1.82 -3.80 -3.56 4.32 -1.25 -4.70 117.00 114.95 1i16 n LEU 59 Ca 0.40 0.62 -0.10 0.00 -0.02 0.00 0.00 56.01 56.92 1i16 n LEU 59 Cb 0.49 -1.00 -0.07 0.00 -1.62 0.00 0.00 43.42 41.22 1i16 n LEU 59 CO 0.71 -4.11 -0.03 0.42 -1.22 0.00 0.00 177.39 173.16 1i16 s THR 60 N -1.91 0.12 -0.29 -5.08 -4.23 0.23 -3.64 115.64 100.85 1i16 s THR 60 Ca 0.60 -0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 59.86 1i16 s THR 60 Cb -0.43 -1.21 0.01 0.00 1.34 0.00 0.00 72.50 72.22 1i16 s THR 60 CO 0.63 -0.53 1.05 -0.63 -0.54 0.00 0.00 174.62 174.60 1i16 s ILE 61 N -3.55 4.58 -0.73 2.99 1.01 -1.15 0.14 121.20 124.49 1i16 s ILE 61 Ca 0.02 1.82 0.06 0.00 0.00 0.00 0.00 60.65 62.55 1i16 s ILE 61 Cb 0.03 -4.37 0.05 0.00 0.01 0.00 0.00 42.46 38.18 1i16 s ILE 61 CO -0.10 -0.37 0.68 -3.20 0.00 0.00 0.00 174.94 171.96 1i16 n ASN 62 N 6.66 1.48 -3.23 3.58 2.85 -1.12 0.19 115.26 125.67 1i16 n ASN 62 Ca 0.12 -1.24 -0.14 0.00 -0.11 0.00 0.00 54.58 53.21 1i16 n ASN 62 Cb 0.47 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.44 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -2.11 0.00 0.00 177.26 175.02 1i16 s ARG 63 N -0.49 0.79 0.07 1.20 0.52 -1.25 -4.99 118.95 114.80 1i16 s ARG 63 Ca 0.07 -1.04 -0.08 0.00 -0.52 0.00 0.00 55.73 54.16 1i16 s ARG 63 Cb 0.05 -0.60 -0.05 0.00 0.52 0.00 0.00 34.95 34.86 1i16 s ARG 63 CO 0.07 -1.25 0.36 0.42 0.02 0.00 0.00 175.30 174.92 1i16 s ILE 64 N 1.14 5.16 -0.04 1.52 1.01 -1.26 -1.80 121.20 126.93 1i16 s ILE 64 Ca 0.22 0.32 -0.08 0.00 0.00 0.00 0.00 60.65 61.11 1i16 s ILE 64 Cb -0.08 -3.62 -0.03 0.00 0.01 0.00 0.00 42.46 38.74 1i16 s ILE 64 CO -0.06 0.28 -0.16 0.49 0.00 0.00 0.00 174.94 175.49 1i16 n PHE 65 N 0.88 0.00 -3.77 3.97 3.72 0.63 -4.95 117.46 117.93 1i16 n PHE 65 Ca -0.08 0.00 -0.28 0.00 -0.05 0.00 0.00 57.45 57.04 1i16 n PHE 65 Cb 0.52 -0.23 -0.16 0.00 -0.94 0.00 0.00 39.48 38.68 1i16 n PHE 65 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1i16 s LYS 66 N -2.29 0.81 -0.76 -1.08 2.20 -1.21 -5.03 119.74 112.38 1i16 s LYS 66 Ca -0.13 -0.55 -0.25 0.00 -0.36 0.00 0.00 55.97 54.68 1i16 s LYS 66 Cb 0.02 -2.18 -0.20 0.00 -1.51 0.00 0.00 37.83 33.96 1i16 s LYS 66 CO 0.19 -0.65 1.88 0.41 -0.36 0.00 0.00 175.35 176.82 1i16 n GLY 67 N 4.98 1.28 3.74 5.54 0.00 -1.26 -4.67 105.19 114.80 1i16 n GLY 67 Ca -0.09 -0.85 -0.30 0.00 0.00 0.00 0.00 46.02 44.78 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 s ALA 68 N 8.80 1.76 -0.28 4.61 0.00 -1.26 -4.53 121.76 130.86 1i16 s ALA 68 Ca 0.66 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 52.41 1i16 s ALA 68 Cb 0.08 -3.18 0.08 0.00 0.00 0.00 0.00 23.12 20.10 1i16 s ALA 68 CO 0.18 -2.17 0.71 0.00 0.00 0.00 0.00 175.76 174.48 1i16 s ALA 69 N -2.97 -1.90 -0.84 0.00 0.00 -1.26 -4.13 121.76 110.66 1i16 s ALA 69 Ca 0.63 2.41 0.27 0.00 0.00 0.00 0.00 51.96 55.26 1i16 s ALA 69 Cb -0.17 -1.44 0.99 0.00 0.00 0.00 0.00 23.12 22.49 1i16 s ALA 69 CO 0.56 -0.38 1.82 0.43 0.00 0.00 0.00 175.76 178.20 1i16 n SER 70 N 4.26 0.44 0.00 0.00 7.64 -1.26 -4.52 113.62 120.17 1i16 n SER 70 Ca -0.20 0.55 0.00 0.00 1.01 0.00 0.00 58.87 60.23 1i16 n SER 70 Cb 0.59 -0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.13 1i16 n SER 70 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1i16 n GLU 71 N -1.92 0.00 -4.02 1.43 0.28 -1.26 -5.17 120.64 109.98 1i16 n GLU 71 Ca 0.06 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.98 1i16 n GLU 71 Cb 0.37 0.00 -0.09 0.00 1.43 0.00 0.00 31.44 33.15 1i16 n GLU 71 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 177.13 176.32 1i16 s GLN 72 N 0.00 0.78 -0.55 3.44 -0.21 -1.26 -5.11 119.66 116.75 1i16 s GLN 72 Ca 0.00 -1.18 -0.20 0.00 0.02 0.00 0.00 55.36 54.00 1i16 s GLN 72 Cb 0.00 0.27 0.07 0.00 1.00 0.00 0.00 33.01 34.35 1i16 s GLN 72 CO 0.00 -0.21 0.72 -1.12 -2.12 0.00 0.00 175.29 172.56 1i16 s SER 73 N -2.93 6.22 -0.29 5.90 0.01 -1.26 -4.58 113.70 116.77 1i16 s SER 73 Ca 0.10 -0.99 -0.07 0.00 1.31 0.00 0.00 55.95 56.30 1i16 s SER 73 Cb 0.07 -2.32 0.01 0.00 0.21 0.00 0.00 66.02 63.98 1i16 s SER 73 CO -0.07 -1.05 0.26 -0.62 0.41 0.00 0.00 173.24 172.16 1i16 n GLU 74 N 6.54 -2.21 -0.67 12.44 4.71 -1.26 -4.87 120.64 135.32 1i16 n GLU 74 Ca -0.06 1.98 -0.06 0.00 -0.01 0.00 0.00 57.16 59.01 1i16 n GLU 74 Cb 0.45 -4.56 0.18 0.00 -1.01 0.00 0.00 31.44 26.50 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 1i16 n THR 75 N 0.04 2.06 -4.06 2.62 -2.24 -1.26 -4.87 114.28 106.58 1i16 n THR 75 Ca 0.05 -1.04 -0.07 0.00 -2.27 0.00 0.00 64.05 60.72 1i16 n THR 75 Cb 0.20 -0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 67.80 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1i16 s VAL 76 N -2.07 0.20 -0.11 2.28 -7.23 -1.26 -4.86 120.40 107.35 1i16 s VAL 76 Ca 0.35 -1.66 -0.14 0.00 -1.81 0.00 0.00 61.98 58.71 1i16 s VAL 76 Cb 0.28 -1.36 0.04 0.00 0.56 0.00 0.00 36.38 35.89 1i16 s VAL 76 CO 0.08 -0.92 0.38 0.00 -0.31 0.00 0.00 175.10 174.33 1i16 s GLN 77 N -3.62 0.52 -0.29 4.82 0.00 -1.26 -5.07 119.66 114.76 1i16 s GLN 77 Ca 0.04 0.36 -0.29 0.00 -0.00 0.00 0.00 55.36 55.47 1i16 s GLN 77 Cb 0.06 0.25 0.01 0.00 0.00 0.00 0.00 33.01 33.33 1i16 s GLN 77 CO -0.09 -0.09 1.08 -1.25 0.00 0.00 0.00 175.29 174.93 1i16 s PRO 78 N -0.20 4.13 0.00 9.60 0.04 -1.26 -3.30 135.00 144.01 1i16 s PRO 78 Ca -0.04 1.18 0.00 0.00 0.04 0.00 0.00 61.00 62.19 1i16 s PRO 78 Cb -0.03 -3.71 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1i16 s PRO 78 CO 0.02 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.65 1i16 n GLY 79 N 3.70 0.78 3.74 0.56 0.00 0.13 -4.97 105.19 109.12 1i16 n GLY 79 Ca 0.12 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.72 1i16 n GLY 79 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 80 N 0.00 3.48 -3.56 1.61 5.68 -1.21 -4.66 116.55 117.88 1i16 n ASP 80 Ca 0.00 1.18 -0.41 0.00 -0.50 0.00 0.00 54.79 55.07 1i16 n ASP 80 Cb 0.00 -1.56 -0.01 0.00 -1.14 0.00 0.00 41.12 38.41 1i16 n ASP 80 CO 0.00 0.00 0.00 1.21 -1.33 0.00 0.00 177.20 177.08 1i16 n GLU 81 N 1.30 3.70 -1.71 0.11 2.13 -1.26 -2.92 120.64 121.99 1i16 n GLU 81 Ca 0.06 -2.87 -0.42 0.00 0.66 0.00 0.00 57.16 54.59 1i16 n GLU 81 Cb 0.36 -2.90 -0.03 0.00 0.27 0.00 0.00 31.44 29.14 1i16 n GLU 81 CO 0.00 0.00 0.00 0.42 -0.41 0.00 0.00 177.13 177.14 1i16 s ILE 82 N 1.25 3.08 0.04 6.31 1.01 -1.24 -3.71 121.20 127.94 1i16 s ILE 82 Ca 0.54 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 61.15 1i16 s ILE 82 Cb 0.15 -3.06 -0.34 0.00 0.01 0.00 0.00 42.46 39.22 1i16 s ILE 82 CO -0.06 -0.01 1.03 -0.07 0.00 0.00 0.00 174.94 175.83 1i16 h LEU 83 N 10.58 0.79 -7.77 2.97 -0.00 -1.73 -3.42 115.31 116.72 1i16 h LEU 83 Ca -0.49 -0.83 -0.11 0.00 -0.00 0.00 0.00 57.88 56.45 1i16 h LEU 83 Cb 1.23 -0.26 -0.17 0.00 -0.00 0.00 0.00 40.66 41.47 1i16 h LEU 83 CO 0.94 1.65 -0.40 0.00 -0.00 0.00 0.00 178.44 180.63 1i16 s GLN 84 N -2.64 0.72 0.51 1.13 0.00 -1.26 0.23 119.66 118.34 1i16 s GLN 84 Ca -0.08 -0.72 0.02 0.00 -0.00 0.00 0.00 55.36 54.58 1i16 s GLN 84 Cb 0.05 0.29 0.02 0.00 0.00 0.00 0.00 33.01 33.38 1i16 s GLN 84 CO 0.94 -0.21 0.21 1.28 0.00 0.00 0.00 175.29 177.50 1i16 n LEU 85 N 0.52 0.00 0.24 2.60 4.32 0.63 -3.21 117.00 122.11 1i16 n LEU 85 Ca -0.18 -2.88 0.11 0.00 -0.02 0.00 0.00 56.01 53.04 1i16 n LEU 85 Cb 0.60 0.14 0.42 0.00 -1.62 0.00 0.00 43.42 42.96 1i16 n LEU 85 CO 0.22 -0.51 1.09 1.23 -1.22 0.00 0.00 177.39 178.21 1i16 h GLY 86 N 0.88 0.00 -5.03 -0.72 0.00 0.64 -2.86 103.07 95.98 1i16 h GLY 86 Ca -0.37 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 46.78 1i16 h GLY 86 CO 0.59 0.00 -0.35 0.61 0.00 0.00 0.00 176.54 177.39 1i16 n GLY 87 N -1.42 1.88 3.63 4.60 0.00 -1.26 -4.76 105.19 107.86 1i16 n GLY 87 Ca 0.03 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.72 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N -0.15 0.00 -0.17 2.61 -1.32 -1.08 -4.21 115.64 111.32 1i16 s THR 88 Ca 0.13 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.61 1i16 s THR 88 Cb 0.43 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.43 1i16 s THR 88 CO -0.11 0.00 -0.17 0.00 -2.21 0.00 0.00 174.62 172.13 1i16 s ALA 89 N 0.06 2.44 0.03 11.08 0.00 -1.26 0.23 121.76 134.33 1i16 s ALA 89 Ca 0.02 -1.15 -0.16 0.00 0.00 0.00 0.00 51.96 50.67 1i16 s ALA 89 Cb -0.04 -1.25 -0.09 0.00 0.00 0.00 0.00 23.12 21.74 1i16 s ALA 89 CO -0.05 -0.24 1.24 0.52 0.00 0.00 0.00 175.76 177.24 1i16 h MET 90 N 7.72 -0.56 -1.27 0.00 2.86 0.26 -3.00 114.93 120.94 1i16 h MET 90 Ca -0.40 0.04 0.37 0.00 -2.06 0.00 0.00 59.70 57.65 1i16 h MET 90 Cb 1.16 0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.90 1i16 h MET 90 CO 0.60 -0.37 1.06 1.04 1.06 0.00 0.00 176.91 180.30 1i16 n GLN 91 N -3.59 0.00 -2.31 1.72 1.13 -1.25 0.20 117.38 113.29 1i16 n GLN 91 Ca -0.07 0.83 -0.28 0.00 -1.94 0.00 0.00 57.00 55.53 1i16 n GLN 91 Cb 0.23 -1.97 0.01 0.00 0.11 0.00 0.00 30.24 28.62 1i16 n GLN 91 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1i16 n GLY 92 N -1.64 6.02 3.63 1.08 0.00 -1.14 -4.97 105.19 108.17 1i16 n GLY 92 Ca 0.29 -2.71 -0.13 0.00 0.00 0.00 0.00 46.02 43.47 1i16 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i16 s LEU 93 N -3.62 -0.71 0.70 0.99 2.01 0.54 -4.89 118.68 113.71 1i16 s LEU 93 Ca 0.49 1.36 -0.11 0.00 0.01 0.00 0.00 54.13 55.89 1i16 s LEU 93 Cb 0.41 2.37 0.02 0.00 0.01 0.00 0.00 46.19 49.00 1i16 s LEU 93 CO -0.17 -0.23 1.08 -0.89 1.01 0.00 0.00 176.35 177.15 1i16 s THR 94 N 0.43 3.32 0.09 5.49 2.01 -1.26 -4.66 115.64 121.05 1i16 s THR 94 Ca -0.00 0.36 -0.26 0.00 0.31 0.00 0.00 61.69 62.10 1i16 s THR 94 Cb -0.05 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 68.95 1i16 s THR 94 CO -0.01 -0.53 1.42 -0.09 -0.69 0.00 0.00 174.62 174.72 1i16 h ARG 95 N -0.64 -0.44 0.17 4.92 1.12 -1.90 0.86 114.38 118.47 1i16 h ARG 95 Ca -0.45 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.44 1i16 h ARG 95 Cb 1.26 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 31.32 1i16 h ARG 95 CO 0.64 -0.29 -0.08 0.35 -3.11 0.00 0.00 179.97 177.47 1i16 h PHE 96 N -0.45 -0.21 -0.93 2.20 3.57 -1.91 -1.75 116.94 117.46 1i16 h PHE 96 Ca 0.02 -0.00 0.15 0.00 3.53 0.00 0.00 57.97 61.67 1i16 h PHE 96 Cb 0.53 0.07 -0.09 0.00 2.79 0.00 0.00 35.95 39.24 1i16 h PHE 96 CO -0.55 -0.01 0.53 0.93 -2.23 0.00 0.00 178.31 176.98 1i16 h GLU 97 N -0.38 0.75 0.19 1.11 4.39 -1.88 -0.69 114.58 118.06 1i16 h GLU 97 Ca -0.02 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.62 1i16 h GLU 97 Cb 0.29 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1i16 h GLU 97 CO 0.04 0.49 -0.09 0.00 -1.16 0.00 0.00 179.01 178.29 1i16 h ALA 98 N 1.57 -1.03 0.00 3.43 0.00 0.12 -2.17 119.26 121.17 1i16 h ALA 98 Ca 0.50 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1i16 h ALA 98 Cb 0.65 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1i16 h ALA 98 CO -0.33 -1.01 0.16 1.87 0.00 0.00 0.00 179.25 179.93 1i16 n TRP 99 N -2.72 0.51 -0.06 0.00 -0.00 -0.70 -2.03 117.44 112.43 1i16 n TRP 99 Ca -0.03 0.26 -0.17 0.00 -0.00 0.00 0.00 57.50 57.56 1i16 n TRP 99 Cb 0.10 -0.81 -0.13 0.00 -0.00 0.00 0.00 31.31 30.47 1i16 n TRP 99 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 177.69 176.78 1i16 h ASN 100 N 0.00 0.07 -0.81 5.87 2.35 -0.73 -3.29 115.58 119.04 1i16 h ASN 100 Ca 0.00 -0.87 0.12 0.00 -0.55 0.00 0.00 56.30 54.99 1i16 h ASN 100 Cb 0.32 -0.02 -0.08 0.00 0.05 0.00 0.00 38.32 38.58 1i16 h ASN 100 CO 0.00 1.19 0.43 0.40 -1.65 0.00 0.00 177.43 177.80 1i16 h ILE 101 N -0.89 0.82 0.43 2.81 5.03 -0.79 -2.41 117.51 122.50 1i16 h ILE 101 Ca -0.11 -0.23 -0.01 0.00 -0.12 0.00 0.00 64.86 64.39 1i16 h ILE 101 Cb 1.18 0.08 -0.03 0.00 -3.03 0.00 0.00 36.82 35.02 1i16 h ILE 101 CO -0.03 0.12 -0.52 0.40 -0.68 0.00 0.00 178.15 177.45 1i16 h ILE 102 N 0.68 0.00 -1.39 -0.67 5.03 -1.68 -0.28 117.51 119.19 1i16 h ILE 102 Ca 0.42 0.00 0.45 0.00 -0.12 0.00 0.00 64.86 65.61 1i16 h ILE 102 Cb 0.49 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.16 1i16 h ILE 102 CO -0.30 0.00 0.91 0.11 -0.68 0.00 0.00 178.15 178.19 1i16 h LYS 103 N -0.97 0.07 0.00 2.37 1.57 -1.50 1.82 116.57 119.93 1i16 h LYS 103 Ca -0.05 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.67 1i16 h LYS 103 Cb 0.86 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 1i16 h LYS 103 CO -0.11 0.04 -0.26 0.00 -0.57 0.00 0.00 179.45 178.56 1i16 h ALA 104 N 1.53 1.46 -1.78 3.86 0.00 -0.84 -3.44 119.26 120.06 1i16 h ALA 104 Ca 0.83 -0.23 -0.35 0.00 0.00 0.00 0.00 54.91 55.15 1i16 h ALA 104 Cb 2.71 -0.04 0.20 0.00 0.00 0.00 0.00 17.79 20.66 1i16 h ALA 104 CO -0.37 0.32 -0.38 1.28 0.00 0.00 0.00 179.25 180.10 1i16 n LEU 105 N -4.07 -1.36 -4.95 0.00 7.99 0.62 -5.00 117.00 110.23 1i16 n LEU 105 Ca -0.02 -0.45 -0.28 0.00 -0.01 0.00 0.00 56.01 55.25 1i16 n LEU 105 Cb 0.32 -0.97 0.15 0.00 -0.11 0.00 0.00 43.42 42.81 1i16 n LEU 105 CO 0.36 -3.66 0.76 -2.16 -1.51 0.00 0.00 177.39 171.18 1i16 s PRO 106 N -4.11 1.16 -0.86 3.23 0.04 -1.26 -5.01 135.00 128.19 1i16 s PRO 106 Ca 0.56 -0.56 -0.16 0.00 0.04 0.00 0.00 61.00 60.89 1i16 s PRO 106 Cb -0.13 -2.02 0.19 0.00 0.04 0.00 0.00 34.50 32.58 1i16 s PRO 106 CO 0.54 -1.98 0.89 -0.51 0.04 0.00 0.00 177.00 175.97 1i16 s ASP 107 N -4.79 6.71 0.00 6.66 1.01 -1.26 -4.80 116.67 120.20 1i16 s ASP 107 Ca 0.70 -2.46 0.00 0.00 0.71 0.00 0.00 52.55 51.50 1i16 s ASP 107 Cb -0.05 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1i16 s ASP 107 CO 0.50 -0.75 0.00 0.61 0.21 0.00 0.00 175.17 175.74 1i16 n GLY 108 N 4.50 3.82 3.55 0.21 0.00 -0.87 -4.76 105.19 111.65 1i16 n GLY 108 Ca 0.17 -0.19 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 4.94 3.09 -0.30 1.61 0.04 -1.25 0.24 135.00 143.36 1i16 s PRO 109 Ca 0.00 -0.16 -0.23 0.00 0.04 0.00 0.00 61.00 60.64 1i16 s PRO 109 Cb 0.00 -4.39 -0.00 0.00 0.04 0.00 0.00 34.50 30.15 1i16 s PRO 109 CO 0.00 -2.33 0.79 0.54 0.04 0.00 0.00 177.00 176.04 1i16 s VAL 110 N 6.53 4.80 0.08 -0.36 0.11 0.74 -4.78 120.40 127.52 1i16 s VAL 110 Ca 0.44 1.22 -0.21 0.00 -2.93 0.00 0.00 61.98 60.50 1i16 s VAL 110 Cb -0.08 -4.14 -0.07 0.00 -1.53 0.00 0.00 36.38 30.57 1i16 s VAL 110 CO 0.13 -0.22 0.64 0.28 -3.33 0.00 0.00 175.10 172.59 1i16 s THR 111 N 2.93 4.68 0.15 5.04 -1.32 -1.26 0.29 115.64 126.16 1i16 s THR 111 Ca 0.32 1.37 0.08 0.00 -1.21 0.00 0.00 61.69 62.25 1i16 s THR 111 Cb -0.14 -3.98 -0.04 0.00 -1.51 0.00 0.00 72.50 66.83 1i16 s THR 111 CO 0.12 0.51 -0.17 0.27 -2.21 0.00 0.00 174.62 173.13 1i16 s ILE 112 N -0.85 1.68 -0.35 5.08 -4.36 0.52 0.12 121.20 123.04 1i16 s ILE 112 Ca 0.32 -1.84 -0.00 0.00 -0.26 0.00 0.00 60.65 58.86 1i16 s ILE 112 Cb -0.20 -1.74 0.12 0.00 1.25 0.00 0.00 42.46 41.88 1i16 s ILE 112 CO 0.21 -0.32 0.16 -0.69 0.24 0.00 0.00 174.94 174.53 1i16 s VAL 113 N -2.01 0.71 -0.14 8.37 1.01 -1.20 -1.23 120.40 125.92 1i16 s VAL 113 Ca 0.13 -1.63 -0.16 0.00 0.00 0.00 0.00 61.98 60.32 1i16 s VAL 113 Cb -0.06 -1.53 -0.04 0.00 0.00 0.00 0.00 36.38 34.75 1i16 s VAL 113 CO 0.05 -0.80 0.39 0.27 0.00 0.00 0.00 175.10 175.02 1i16 s ILE 114 N 1.29 5.24 -0.33 2.22 -5.25 -1.22 -2.17 121.20 120.98 1i16 s ILE 114 Ca 0.13 0.77 0.01 0.00 -0.99 0.00 0.00 60.65 60.57 1i16 s ILE 114 Cb -0.20 -3.73 0.10 0.00 2.95 0.00 0.00 42.46 41.58 1i16 s ILE 114 CO -0.16 0.35 0.10 -0.60 -1.79 0.00 0.00 174.94 172.84 1i16 s ARG 115 N 0.59 0.99 -0.11 0.37 3.52 -1.24 -0.20 118.95 122.87 1i16 s ARG 115 Ca 0.22 -1.40 -0.21 0.00 -0.13 0.00 0.00 55.73 54.21 1i16 s ARG 115 Cb -0.14 -2.38 -0.04 0.00 -1.56 0.00 0.00 34.95 30.83 1i16 s ARG 115 CO 0.07 -0.99 0.60 1.03 -0.81 0.00 0.00 175.30 175.20 1i16 s ARG 116 N 1.29 4.36 0.69 5.12 0.52 0.88 -4.36 118.95 127.45 1i16 s ARG 116 Ca 0.11 0.67 -0.06 0.00 -0.52 0.00 0.00 55.73 55.92 1i16 s ARG 116 Cb -0.18 -3.46 0.05 0.00 0.52 0.00 0.00 34.95 31.88 1i16 s ARG 116 CO -0.18 0.05 0.99 0.15 0.02 0.00 0.00 175.30 176.34 1i16 s LYS 117 N 0.90 2.28 0.99 3.54 1.02 -1.26 -0.62 119.74 126.59 1i16 s LYS 117 Ca 0.32 -0.25 -0.15 0.00 0.02 0.00 0.00 55.97 55.91 1i16 s LYS 117 Cb -0.16 -2.19 0.19 0.00 -0.52 0.00 0.00 37.83 35.14 1i16 s LYS 117 CO 0.14 -1.17 1.17 -1.12 -0.92 0.00 0.00 175.35 173.45 1i16 s SER 118 N -4.49 2.80 -0.40 2.83 0.01 -1.26 -4.88 113.70 108.30 1i16 s SER 118 Ca 0.59 0.75 0.03 0.00 1.31 0.00 0.00 55.95 58.63 1i16 s SER 118 Cb -0.11 -1.14 0.28 0.00 0.21 0.00 0.00 66.02 65.25 1i16 s SER 118 CO 0.44 -2.97 1.13 0.00 0.41 0.00 0.00 173.24 172.25 1i16 n LEU 119 N -4.01 -1.98 -1.48 2.44 -0.00 -1.26 -4.99 117.00 105.72 1i16 n LEU 119 Ca 0.10 -2.57 -0.10 0.00 -0.00 0.00 0.00 56.01 53.44 1i16 n LEU 119 Cb 0.59 0.76 0.20 0.00 -0.00 0.00 0.00 43.42 44.97 1i16 n LEU 119 CO 0.52 1.79 0.86 0.00 -0.00 0.00 0.00 177.39 180.56 1i16 n GLN 120 N 1.27 1.97 -4.15 1.47 6.02 -1.26 -4.97 117.38 117.73 1i16 n GLN 120 Ca 0.04 -3.14 -0.17 0.00 -0.01 0.00 0.00 57.00 53.72 1i16 n GLN 120 Cb 0.69 -1.92 -0.12 0.00 1.02 0.00 0.00 30.24 29.91 1i16 n GLN 120 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 1i16 s SER 121 N -2.18 1.48 0.05 1.08 0.15 -1.26 -5.14 113.70 107.88 1i16 s SER 121 Ca 0.48 -0.63 -0.08 0.00 0.70 0.00 0.00 55.95 56.42 1i16 s SER 121 Cb 0.43 -0.02 -0.05 0.00 -1.71 0.00 0.00 66.02 64.66 1i16 s SER 121 CO 0.03 -0.13 0.33 -0.54 1.20 0.00 0.00 173.24 174.14 1i16 s LYS 122 N -1.86 3.66 0.00 5.44 3.01 -1.26 -5.04 119.74 123.69 1i16 s LYS 122 Ca -0.03 0.03 0.00 0.00 -1.01 0.00 0.00 55.97 54.96 1i16 s LYS 122 Cb -0.09 -3.02 0.00 0.00 -1.01 0.00 0.00 37.83 33.71 1i16 s LYS 122 CO 0.02 0.59 0.00 -1.91 0.51 0.00 0.00 175.35 174.56 1i16 n GLU 123 N 0.92 0.00 -4.27 1.68 2.13 -1.26 -5.15 120.64 114.69 1i16 n GLU 123 Ca -0.09 0.00 -0.27 0.00 0.66 0.00 0.00 57.16 57.46 1i16 n GLU 123 Cb 0.52 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 32.07 1i16 n GLU 123 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1i16 s THR 124 N 0.00 1.21 -0.24 6.31 -4.23 -1.26 -5.11 115.64 112.32 1i16 s THR 124 Ca 0.00 -0.46 -0.14 0.00 -1.18 0.00 0.00 61.69 59.91 1i16 s THR 124 Cb 0.00 -1.15 0.07 0.00 1.34 0.00 0.00 72.50 72.76 1i16 s THR 124 CO 0.00 0.39 0.59 -0.89 -0.54 0.00 0.00 174.62 174.16 1i16 s THR 125 N 1.18 -0.01 -1.22 3.99 2.01 -1.26 -4.95 115.64 115.37 1i16 s THR 125 Ca -0.04 0.03 -0.26 0.00 0.31 0.00 0.00 61.69 61.73 1i16 s THR 125 Cb -0.14 -0.85 0.02 0.00 0.01 0.00 0.00 72.50 71.54 1i16 s THR 125 CO -0.03 0.01 0.66 0.00 -0.69 0.00 0.00 174.62 174.58 1i16 n ALA 126 N 4.09 -2.52 -2.71 7.40 0.00 -1.26 -4.87 120.51 120.65 1i16 n ALA 126 Ca -0.20 -0.44 -0.03 0.00 0.00 0.00 0.00 53.44 52.77 1i16 n ALA 126 Cb 0.57 -2.98 0.05 0.00 0.00 0.00 0.00 19.45 17.09 1i16 n ALA 126 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 127 N -4.69 2.88 0.00 0.00 0.00 -1.26 -4.93 120.51 112.51 1i16 n ALA 127 Ca -0.13 -2.86 0.00 0.00 0.00 0.00 0.00 53.44 50.45 1i16 n ALA 127 Cb 0.59 -0.80 0.00 0.00 0.00 0.00 0.00 19.45 19.24 1i16 n ALA 127 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1i16 n GLY 128 N -0.55 2.03 7.00 0.00 0.00 -1.26 -5.04 105.19 107.37 1i16 n GLY 128 Ca 0.12 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1i16 n GLY 128 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i16 n ASP 129 N 0.14 -0.47 0.00 1.61 -0.08 -1.26 -5.23 116.55 111.26 1i16 n ASP 129 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1i16 n ASP 129 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 1i16 n ASP 129 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12