#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 -0.05 0.00 2.12 0.13 -2.08 -3.48 132.00 128.63 1i16 h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1i16 h PRO 2 Cb 0.00 0.01 0.00 0.00 0.13 0.00 0.00 31.00 31.14 1i16 h PRO 2 CO 0.00 -0.04 0.00 -0.25 -0.23 0.00 0.00 178.00 177.48 1i16 n ASP 3 N -4.31 1.77 -3.16 1.44 8.00 -1.26 -5.12 116.55 113.91 1i16 n ASP 3 Ca -0.01 -0.89 -0.18 0.00 0.71 0.00 0.00 54.79 54.42 1i16 n ASP 3 Cb 0.02 0.00 0.18 0.00 -0.02 0.00 0.00 41.12 41.30 1i16 n ASP 3 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1i16 n LEU 4 N 0.00 0.00 -4.85 0.64 4.77 -1.26 -4.95 117.00 111.35 1i16 n LEU 4 Ca 0.00 -0.53 -0.32 0.00 -0.03 0.00 0.00 56.01 55.13 1i16 n LEU 4 Cb 0.00 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.43 1i16 n LEU 4 CO 0.00 -2.33 0.58 0.54 -1.33 0.00 0.00 177.39 174.85 1i16 s ASN 5 N -2.61 6.67 0.00 -1.43 2.20 -1.26 -5.04 114.94 113.47 1i16 s ASN 5 Ca 0.41 1.44 0.00 0.00 -0.94 0.00 0.00 52.86 53.77 1i16 s ASN 5 Cb -0.07 -2.45 0.00 0.00 -2.00 0.00 0.00 41.25 36.73 1i16 s ASN 5 CO 0.34 -0.45 0.00 -1.54 -2.94 0.00 0.00 177.10 172.51 1i16 n SER 6 N -1.20 0.00 -4.03 3.54 3.41 -1.26 -4.85 113.62 109.23 1i16 n SER 6 Ca 0.05 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.38 1i16 n SER 6 Cb 0.54 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.47 1i16 n SER 6 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1i16 n SER 7 N 0.00 -1.18 -0.53 4.04 7.64 -1.26 -4.85 113.62 117.48 1i16 n SER 7 Ca 0.00 -1.01 0.00 0.00 1.01 0.00 0.00 58.87 58.87 1i16 n SER 7 Cb 0.00 -2.97 0.00 0.00 -1.01 0.00 0.00 64.21 60.23 1i16 n SER 7 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 1i16 n THR 8 N -4.42 0.00 -1.69 0.44 5.66 -1.26 -5.10 114.28 107.91 1i16 n THR 8 Ca -0.20 0.00 -0.54 0.00 -3.05 0.00 0.00 64.05 60.25 1i16 n THR 8 Cb 0.63 0.00 -0.06 0.00 -1.55 0.00 0.00 70.33 69.35 1i16 n THR 8 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1i16 n ASP 9 N -0.11 2.56 -4.54 1.09 2.03 -1.26 -4.70 116.55 111.60 1i16 n ASP 9 Ca 0.00 1.06 -0.17 0.00 0.52 0.00 0.00 54.79 56.20 1i16 n ASP 9 Cb 0.00 -1.21 -0.11 0.00 -0.72 0.00 0.00 41.12 39.09 1i16 n ASP 9 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1i16 n SER 10 N 5.22 1.07 -3.09 1.67 7.64 -1.26 -4.71 113.62 120.16 1i16 n SER 10 Ca 0.24 -1.20 -0.20 0.00 1.01 0.00 0.00 58.87 58.72 1i16 n SER 10 Cb 0.18 -1.39 -0.04 0.00 -1.01 0.00 0.00 64.21 61.94 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 11 N 15.51 1.36 -3.90 -0.43 0.00 -1.26 -5.09 120.51 126.69 1i16 n ALA 11 Ca 0.52 -2.77 -0.29 0.00 0.00 0.00 0.00 53.44 50.90 1i16 n ALA 11 Cb 0.36 -0.96 -0.17 0.00 0.00 0.00 0.00 19.45 18.69 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 12 N -0.47 1.66 0.24 0.00 0.00 -1.26 -4.99 121.76 116.94 1i16 s ALA 12 Ca 0.34 -0.76 -0.31 0.00 0.00 0.00 0.00 51.96 51.23 1i16 s ALA 12 Cb 0.16 -0.96 -0.14 0.00 0.00 0.00 0.00 23.12 22.18 1i16 s ALA 12 CO -0.15 -0.31 1.25 0.43 0.00 0.00 0.00 175.76 176.97 1i16 n SER 13 N 4.67 2.05 0.00 0.00 7.64 -1.26 -4.91 113.62 121.81 1i16 n SER 13 Ca -0.16 1.15 0.00 0.00 1.01 0.00 0.00 58.87 60.87 1i16 n SER 13 Cb 0.50 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 14 N 1.34 2.58 -1.21 -0.43 0.00 -1.26 -5.12 120.51 116.40 1i16 n ALA 14 Ca 0.12 -0.02 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1i16 n ALA 14 Cb 0.30 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.70 1i16 n ALA 14 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 15 N -2.29 -6.42 -4.06 0.00 7.64 -1.26 -4.97 113.62 102.25 1i16 n SER 15 Ca 0.00 0.78 -0.27 0.00 1.01 0.00 0.00 58.87 60.39 1i16 n SER 15 Cb 0.00 -3.89 -0.07 0.00 -1.01 0.00 0.00 64.21 59.24 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 16 N -3.02 0.48 -3.90 -0.43 0.00 -1.26 -5.17 120.51 107.20 1i16 n ALA 16 Ca -0.03 -2.02 -0.03 0.00 0.00 0.00 0.00 53.44 51.36 1i16 n ALA 16 Cb 0.63 1.25 0.02 0.00 0.00 0.00 0.00 19.45 21.35 1i16 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 17 N -2.94 -1.64 0.00 0.00 0.00 -1.26 -5.01 121.76 110.91 1i16 s ALA 17 Ca 0.11 -0.36 0.00 0.00 0.00 0.00 0.00 51.96 51.71 1i16 s ALA 17 Cb 0.01 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.91 1i16 s ALA 17 CO 0.08 -1.07 0.00 0.43 0.00 0.00 0.00 175.76 175.20 1i16 n SER 18 N -1.28 0.00 -4.81 0.00 7.64 -1.26 -4.78 113.62 109.14 1i16 n SER 18 Ca -0.02 0.00 -0.37 0.00 1.01 0.00 0.00 58.87 59.49 1i16 n SER 18 Cb 0.59 0.00 -0.06 0.00 -1.01 0.00 0.00 64.21 63.73 1i16 n SER 18 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i16 s ASP 19 N -1.90 7.13 0.01 6.43 -1.08 -1.26 -5.07 116.67 120.92 1i16 s ASP 19 Ca 0.00 1.46 0.03 0.00 -0.52 0.00 0.00 52.55 53.52 1i16 s ASP 19 Cb 0.00 -2.43 -0.01 0.00 -1.46 0.00 0.00 42.92 39.02 1i16 s ASP 19 CO 0.00 0.08 -0.09 0.54 0.52 0.00 0.00 175.17 176.22 1i16 s VAL 20 N -1.43 0.69 0.26 1.11 0.11 -1.26 -5.05 120.40 114.83 1i16 s VAL 20 Ca 0.41 -0.52 0.01 0.00 -2.93 0.00 0.00 61.98 58.95 1i16 s VAL 20 Cb -0.18 -0.61 -0.01 0.00 -1.53 0.00 0.00 36.38 34.06 1i16 s VAL 20 CO 0.22 0.09 0.05 -0.24 -3.33 0.00 0.00 175.10 171.89 1i16 n SER 21 N 2.59 1.72 -2.52 3.54 2.88 -1.26 -4.98 113.62 115.58 1i16 n SER 21 Ca -0.15 -2.26 -0.04 0.00 -1.33 0.00 0.00 58.87 55.09 1i16 n SER 21 Cb 0.57 0.45 0.00 0.00 -0.75 0.00 0.00 64.21 64.49 1i16 n SER 21 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1i16 n VAL 22 N -0.60 -9.52 -1.09 2.46 0.31 -1.26 -4.89 118.33 103.74 1i16 n VAL 22 Ca -0.07 1.02 -0.36 0.00 -0.01 0.00 0.00 64.34 64.92 1i16 n VAL 22 Cb 0.36 -6.50 0.05 0.00 -0.91 0.00 0.00 33.84 26.84 1i16 n VAL 22 CO 0.00 0.00 0.00 -1.84 -1.32 0.00 0.00 176.83 173.67 1i16 n GLU 23 N 0.03 0.02 -0.22 5.55 0.00 -1.26 -4.93 120.64 119.84 1i16 n GLU 23 Ca 0.06 0.02 -0.08 0.00 0.00 0.00 0.00 57.16 57.16 1i16 n GLU 23 Cb 0.21 -1.26 0.07 0.00 0.00 0.00 0.00 31.44 30.46 1i16 n GLU 23 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.13 177.56 1i16 n SER 24 N 1.94 -1.60 -4.33 -1.84 7.64 -1.26 -5.07 113.62 109.10 1i16 n SER 24 Ca 0.04 -0.56 -0.18 0.00 1.01 0.00 0.00 58.87 59.19 1i16 n SER 24 Cb 0.52 -0.26 -0.10 0.00 -1.01 0.00 0.00 64.21 63.36 1i16 n SER 24 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1i16 s THR 25 N -1.45 1.46 -0.54 0.44 2.01 -1.26 -4.73 115.64 111.56 1i16 s THR 25 Ca 0.18 -2.13 -0.02 0.00 0.31 0.00 0.00 61.69 60.03 1i16 s THR 25 Cb -0.02 -2.11 0.02 0.00 0.01 0.00 0.00 72.50 70.40 1i16 s THR 25 CO 0.14 -0.54 0.07 0.00 -0.69 0.00 0.00 174.62 173.60 1i16 n ALA 26 N -0.37 -0.95 -2.86 7.40 0.00 -1.26 -2.95 120.51 119.52 1i16 n ALA 26 Ca -0.08 0.03 -0.01 0.00 0.00 0.00 0.00 53.44 53.38 1i16 n ALA 26 Cb 0.61 -1.12 -0.01 0.00 0.00 0.00 0.00 19.45 18.94 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 -2.78 -2.65 -5.15 0.00 1.02 -1.26 -1.21 120.64 108.61 1i16 n GLU 27 Ca -0.04 2.24 -0.31 0.00 -0.02 0.00 0.00 57.16 59.04 1i16 n GLU 27 Cb 0.54 -3.78 -0.17 0.00 -0.02 0.00 0.00 31.44 28.01 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 s ALA 28 N -1.17 2.03 0.00 0.62 0.00 -1.15 -2.66 121.76 119.43 1i16 s ALA 28 Ca -0.05 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 1i16 s ALA 28 Cb 0.00 -0.71 -0.00 0.00 0.00 0.00 0.00 23.12 22.40 1i16 s ALA 28 CO 0.51 0.32 0.01 0.95 0.00 0.00 0.00 175.76 177.54 1i16 s THR 29 N 0.17 0.03 0.10 0.00 -4.23 -0.86 -4.89 115.64 105.95 1i16 s THR 29 Ca -0.12 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.20 1i16 s THR 29 Cb -0.16 -0.09 -0.04 0.00 1.34 0.00 0.00 72.50 73.55 1i16 s THR 29 CO 0.06 -0.13 0.11 -0.69 -0.54 0.00 0.00 174.62 173.43 1i16 s VAL 30 N -0.37 4.60 -0.42 2.29 1.01 -1.26 -0.68 120.40 125.57 1i16 s VAL 30 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.14 1i16 s VAL 30 Cb -0.03 -3.26 0.14 0.00 0.00 0.00 0.00 36.38 33.24 1i16 s VAL 30 CO -0.00 0.06 0.26 0.00 0.00 0.00 0.00 175.10 175.42 1i16 s THR 32 N 0.44 4.40 0.13 0.00 2.01 -1.26 -3.36 115.64 117.99 1i16 s THR 32 Ca 0.21 1.70 -0.04 0.00 0.31 0.00 0.00 61.69 63.87 1i16 s THR 32 Cb -0.18 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.20 1i16 s THR 32 CO -0.04 -0.12 0.11 0.68 -0.69 0.00 0.00 174.62 174.57 1i16 s VAL 33 N 3.13 0.11 -0.12 3.82 -7.23 -0.35 -4.96 120.40 114.80 1i16 s VAL 33 Ca 0.52 -1.71 0.00 0.00 -1.81 0.00 0.00 61.98 58.98 1i16 s VAL 33 Cb -0.20 -1.87 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 1i16 s VAL 33 CO 0.14 -0.51 -0.13 0.42 -0.31 0.00 0.00 175.10 174.72 1i16 s THR 34 N -4.00 3.10 0.57 5.32 -4.23 -1.26 0.24 115.64 115.39 1i16 s THR 34 Ca 0.19 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 60.13 1i16 s THR 34 Cb 0.06 -2.29 0.08 0.00 1.34 0.00 0.00 72.50 71.70 1i16 s THR 34 CO -0.01 0.53 0.76 -0.76 -0.54 0.00 0.00 174.62 174.60 1i16 s LEU 35 N 0.16 3.05 -0.25 4.79 2.01 0.91 -4.75 118.68 124.61 1i16 s LEU 35 Ca -0.07 -0.89 -0.02 0.00 0.01 0.00 0.00 54.13 53.16 1i16 s LEU 35 Cb -0.15 -1.57 0.02 0.00 0.01 0.00 0.00 46.19 44.50 1i16 s LEU 35 CO 0.05 -1.33 -0.06 -1.83 1.01 0.00 0.00 176.35 174.19 1i16 s GLU 36 N -4.64 2.91 -0.79 1.70 -1.05 -1.26 0.15 118.70 115.72 1i16 s GLU 36 Ca 0.59 -0.93 -0.26 0.00 -0.15 0.00 0.00 54.97 54.22 1i16 s GLU 36 Cb -0.05 -2.99 0.03 0.00 -0.44 0.00 0.00 34.13 30.67 1i16 s GLU 36 CO 0.37 -0.38 1.34 0.21 0.95 0.00 0.00 175.26 177.76 1i16 s LYS 37 N 1.35 3.24 0.00 -4.83 2.47 0.16 -4.41 119.74 117.72 1i16 s LYS 37 Ca 0.01 -0.37 0.00 0.00 -1.56 0.00 0.00 55.97 54.05 1i16 s LYS 37 Cb -0.16 -4.42 0.00 0.00 -1.46 0.00 0.00 37.83 31.78 1i16 s LYS 37 CO -0.04 -2.20 0.00 0.00 0.16 0.00 0.00 175.35 173.27 1i16 n MET 38 N 9.27 0.00 -0.23 4.03 0.00 -1.26 -3.30 117.12 125.63 1i16 n MET 38 Ca 0.10 0.00 0.02 0.00 0.00 0.00 0.00 57.70 57.82 1i16 n MET 38 Cb 0.49 -0.22 0.11 0.00 0.00 0.00 0.00 33.22 33.60 1i16 n MET 38 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1i16 n SER 39 N -0.72 2.21 -2.81 3.17 7.64 -1.26 -4.86 113.62 116.98 1i16 n SER 39 Ca 0.00 -2.24 -0.12 0.00 1.01 0.00 0.00 58.87 57.52 1i16 n SER 39 Cb 0.00 -0.54 0.06 0.00 -1.01 0.00 0.00 64.21 62.72 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 40 N 0.16 -1.71 0.00 -0.43 0.00 -1.26 -4.61 120.51 112.66 1i16 n ALA 40 Ca 0.07 0.02 0.00 0.00 0.00 0.00 0.00 53.44 53.53 1i16 n ALA 40 Cb 0.49 -3.01 0.00 0.00 0.00 0.00 0.00 19.45 16.93 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 -1.18 0.55 1.84 0.00 0.00 -1.26 -4.78 105.19 100.36 1i16 n GLY 41 Ca -0.15 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.87 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 -0.00 0.00 0.99 4.77 -1.26 0.12 117.00 121.62 1i16 n LEU 42 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 1i16 n LEU 42 Cb 0.00 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.31 1i16 n LEU 42 CO 0.00 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.67 1i16 n GLY 43 N -0.28 0.04 3.18 -0.72 0.00 -1.26 -4.84 105.19 101.30 1i16 n GLY 43 Ca -0.00 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.86 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 -1.09 1.13 0.02 1.61 -0.71 0.33 0.29 117.98 119.56 1i16 s PHE 44 Ca 0.00 -0.57 0.04 0.00 -1.04 0.00 0.00 56.93 55.36 1i16 s PHE 44 Cb 0.00 -0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1i16 s PHE 44 CO 0.00 0.03 -0.13 0.45 -1.34 0.00 0.00 175.22 174.23 1i16 s SER 45 N -2.17 1.54 -0.14 1.98 0.15 -1.06 -4.85 113.70 109.14 1i16 s SER 45 Ca 0.03 -0.39 -0.06 0.00 0.70 0.00 0.00 55.95 56.23 1i16 s SER 45 Cb -0.06 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.10 1i16 s SER 45 CO 0.01 0.06 0.08 -0.76 1.20 0.00 0.00 173.24 173.82 1i16 s LEU 46 N -0.90 3.97 0.08 3.45 1.02 -1.26 -1.98 118.68 123.06 1i16 s LEU 46 Ca 0.02 0.23 0.06 0.00 0.02 0.00 0.00 54.13 54.47 1i16 s LEU 46 Cb -0.07 -1.97 -0.03 0.00 0.02 0.00 0.00 46.19 44.14 1i16 s LEU 46 CO 0.01 0.30 -0.17 -1.61 0.02 0.00 0.00 176.35 174.90 1i16 s GLU 47 N -0.39 0.97 0.00 1.70 8.01 0.68 -4.78 118.70 124.89 1i16 s GLU 47 Ca 0.10 -1.01 0.00 0.00 0.01 0.00 0.00 54.97 54.06 1i16 s GLU 47 Cb -0.12 -1.08 0.00 0.00 -4.31 0.00 0.00 34.13 28.62 1i16 s GLU 47 CO 0.02 0.25 0.00 0.41 0.01 0.00 0.00 175.26 175.95 1i16 n GLY 48 N 1.29 -0.06 0.00 -1.39 0.00 -1.26 0.25 105.19 104.02 1i16 n GLY 48 Ca -0.20 0.56 0.00 0.00 0.00 0.00 0.00 46.02 46.38 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 -0.73 3.27 -0.02 0.00 -1.26 -4.99 105.19 101.46 1i16 n GLY 49 Ca 0.00 0.88 -0.33 0.00 0.00 0.00 0.00 46.02 46.57 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 0.00 -1.47 0.00 1.61 0.00 -1.26 -4.00 118.16 113.03 1i16 n LYS 50 Ca 0.00 -0.41 0.00 0.00 -0.00 0.00 0.00 58.31 57.90 1i16 n LYS 50 Cb 0.00 -1.68 0.00 0.00 -0.00 0.00 0.00 35.03 33.35 1i16 n LYS 50 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i16 n GLY 51 N 2.06 2.46 2.18 2.58 0.00 -1.26 -4.80 105.19 108.42 1i16 n GLY 51 Ca 0.01 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.72 -1.90 1.61 7.64 -1.26 -4.93 113.62 114.06 1i16 n SER 52 Ca 0.00 -1.45 -0.17 0.00 1.01 0.00 0.00 58.87 58.26 1i16 n SER 52 Cb 0.00 0.56 -0.05 0.00 -1.01 0.00 0.00 64.21 63.72 1i16 n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i16 n LEU 53 N -0.40 -1.41 0.00 -3.43 4.77 -1.26 -4.70 117.00 110.57 1i16 n LEU 53 Ca -0.15 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.11 1i16 n LEU 53 Cb 0.61 -2.52 0.00 0.00 -2.33 0.00 0.00 43.42 39.18 1i16 n LEU 53 CO -0.07 -0.59 0.13 1.57 -1.33 0.00 0.00 177.39 177.10 1i16 n HIS 54 N -2.84 0.00 0.00 -1.77 -0.00 -1.26 -5.06 115.22 104.29 1i16 n HIS 54 Ca -0.19 0.00 0.00 0.00 0.46 0.00 0.00 57.72 57.99 1i16 n HIS 54 Cb 0.61 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.49 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1i16 n GLY 55 N 0.00 2.04 0.00 1.57 0.00 -1.26 -5.17 105.19 102.38 1i16 n GLY 55 Ca 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.78 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 0.00 0.00 -4.08 1.61 8.00 -1.26 -5.02 116.55 115.80 1i16 n ASP 56 Ca 0.00 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.15 1i16 n ASP 56 Cb 0.00 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.01 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 -0.39 0.00 0.00 177.20 175.22 1i16 s LYS 57 N 0.00 2.83 -1.33 -1.24 0.00 -1.26 -4.84 119.74 113.90 1i16 s LYS 57 Ca 0.00 -2.93 -0.17 0.00 0.00 0.00 0.00 55.97 52.87 1i16 s LYS 57 Cb 0.00 -3.78 0.04 0.00 0.00 0.00 0.00 37.83 34.09 1i16 s LYS 57 CO 0.00 -1.22 1.96 -0.35 0.00 0.00 0.00 175.35 175.74 1i16 n PRO 58 N 2.84 2.89 -1.22 1.78 -0.04 -1.26 -4.58 135.00 135.40 1i16 n PRO 58 Ca 0.15 -2.89 -0.38 0.00 -0.04 0.00 0.00 63.50 60.34 1i16 n PRO 58 Cb 0.37 -3.40 0.03 0.00 -0.04 0.00 0.00 33.50 30.46 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 7.76 -2.75 -3.87 1.53 4.32 -1.26 -4.76 117.00 117.96 1i16 n LEU 59 Ca 0.50 0.56 -0.09 0.00 -0.02 0.00 0.00 56.01 56.96 1i16 n LEU 59 Cb 0.43 -0.94 -0.08 0.00 -1.62 0.00 0.00 43.42 41.21 1i16 n LEU 59 CO 0.83 -4.51 -0.11 0.42 -1.22 0.00 0.00 177.39 172.79 1i16 s THR 60 N -1.96 0.14 -0.09 -5.08 -4.23 0.68 -3.63 115.64 101.48 1i16 s THR 60 Ca 0.57 -1.17 -0.30 0.00 -1.18 0.00 0.00 61.69 59.61 1i16 s THR 60 Cb -0.40 -1.27 -0.02 0.00 1.34 0.00 0.00 72.50 72.15 1i16 s THR 60 CO 0.67 -0.65 1.04 -0.63 -0.54 0.00 0.00 174.62 174.51 1i16 s ILE 61 N -3.63 4.69 -0.10 2.99 1.01 -1.15 0.25 121.20 125.26 1i16 s ILE 61 Ca 0.03 1.96 -0.05 0.00 0.00 0.00 0.00 60.65 62.59 1i16 s ILE 61 Cb 0.04 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.21 1i16 s ILE 61 CO -0.10 0.02 -0.12 -0.46 0.00 0.00 0.00 174.94 174.27 1i16 n ASN 62 N 4.95 0.74 -4.13 3.58 0.23 -0.84 -0.65 115.26 119.14 1i16 n ASN 62 Ca 0.09 0.11 -0.38 0.00 -0.53 0.00 0.00 54.58 53.88 1i16 n ASN 62 Cb 0.48 -0.28 -0.09 0.00 -2.08 0.00 0.00 39.78 37.81 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.60 -0.93 0.00 0.00 177.26 175.73 1i16 s ARG 63 N -2.18 2.49 0.10 -3.83 3.52 -1.25 -4.90 118.95 112.91 1i16 s ARG 63 Ca -0.13 -2.28 -0.13 0.00 -0.13 0.00 0.00 55.73 53.06 1i16 s ARG 63 Cb 0.05 -3.77 -0.06 0.00 -1.56 0.00 0.00 34.95 29.61 1i16 s ARG 63 CO 0.17 -1.16 0.48 0.42 -0.81 0.00 0.00 175.30 174.40 1i16 s ILE 64 N 0.39 4.95 0.43 4.11 1.01 -1.26 -2.55 121.20 128.27 1i16 s ILE 64 Ca 0.14 0.73 0.07 0.00 0.00 0.00 0.00 60.65 61.59 1i16 s ILE 64 Cb -0.21 -3.71 -0.02 0.00 0.01 0.00 0.00 42.46 38.53 1i16 s ILE 64 CO -0.04 0.32 0.36 -0.36 0.00 0.00 0.00 174.94 175.22 1i16 s PHE 65 N -1.37 2.59 -0.33 3.97 0.08 0.83 -4.95 117.98 118.79 1i16 s PHE 65 Ca 0.34 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.78 1i16 s PHE 65 Cb -0.15 -2.12 0.03 0.00 -0.57 0.00 0.00 43.02 40.20 1i16 s PHE 65 CO 0.18 -0.12 0.11 0.21 -0.10 0.00 0.00 175.22 175.50 1i16 s LYS 66 N -4.12 2.79 0.00 0.44 2.20 -1.26 -4.74 119.74 115.05 1i16 s LYS 66 Ca 0.46 -1.07 0.00 0.00 -0.36 0.00 0.00 55.97 55.01 1i16 s LYS 66 Cb -0.02 -3.48 0.00 0.00 -1.51 0.00 0.00 37.83 32.82 1i16 s LYS 66 CO 0.27 -0.60 0.00 0.41 -0.36 0.00 0.00 175.35 175.06 1i16 n GLY 67 N 4.86 0.00 0.00 5.54 0.00 -1.26 -5.14 105.19 109.19 1i16 n GLY 67 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 1i16 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1i16 n ALA 68 N 0.00 0.00 -4.10 4.61 0.00 -1.26 -4.94 120.51 114.82 1i16 n ALA 68 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.11 1i16 n ALA 68 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1i16 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 n ALA 69 N -3.00 -1.38 -0.63 0.00 0.00 -1.26 -4.82 120.51 109.43 1i16 n ALA 69 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 53.44 53.52 1i16 n ALA 69 Cb 0.00 -3.49 0.12 0.00 0.00 0.00 0.00 19.45 16.07 1i16 n ALA 69 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 70 N -2.75 2.53 -0.64 0.00 2.88 -1.26 -4.38 113.62 110.00 1i16 n SER 70 Ca 0.01 -2.62 0.06 0.00 -1.33 0.00 0.00 58.87 54.99 1i16 n SER 70 Cb 0.53 -0.29 0.13 0.00 -0.75 0.00 0.00 64.21 63.82 1i16 n SER 70 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1i16 n GLU 71 N -0.80 2.04 -2.66 -1.46 4.71 -1.26 -4.80 120.64 116.41 1i16 n GLU 71 Ca 0.11 -1.78 -0.04 0.00 -0.01 0.00 0.00 57.16 55.44 1i16 n GLU 71 Cb 0.53 -1.28 0.07 0.00 -1.01 0.00 0.00 31.44 29.75 1i16 n GLU 71 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1i16 n GLN 72 N 0.67 0.04 -0.08 3.49 10.64 -1.26 -5.14 117.38 125.73 1i16 n GLN 72 Ca 0.11 -0.57 0.01 0.00 -1.83 0.00 0.00 57.00 54.72 1i16 n GLN 72 Cb 0.40 0.01 -0.00 0.00 -0.86 0.00 0.00 30.24 29.79 1i16 n GLN 72 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1i16 n SER 73 N 1.69 -4.94 -4.60 2.61 2.88 -1.26 -4.32 113.62 105.67 1i16 n SER 73 Ca 0.02 0.09 -0.43 0.00 -1.33 0.00 0.00 58.87 57.22 1i16 n SER 73 Cb 0.71 -0.26 -0.02 0.00 -0.75 0.00 0.00 64.21 63.88 1i16 n SER 73 CO 0.00 0.00 0.00 -1.83 -1.23 0.00 0.00 175.04 171.98 1i16 s GLU 74 N -0.14 3.66 -0.28 -1.46 1.03 -1.26 -4.48 118.70 115.76 1i16 s GLU 74 Ca 0.00 0.89 0.05 0.00 0.03 0.00 0.00 54.97 55.94 1i16 s GLU 74 Cb 0.00 -3.97 0.54 0.00 -0.80 0.00 0.00 34.13 29.90 1i16 s GLU 74 CO 0.00 -1.46 1.60 0.25 -1.33 0.00 0.00 175.26 174.33 1i16 n THR 75 N 6.89 2.46 -4.17 1.83 -2.24 -1.26 -4.90 114.28 112.90 1i16 n THR 75 Ca 0.15 -1.31 -0.10 0.00 -2.27 0.00 0.00 64.05 60.52 1i16 n THR 75 Cb 0.48 -0.51 -0.10 0.00 -2.10 0.00 0.00 70.33 68.10 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 -2.42 0.45 -0.15 2.28 -7.23 -1.26 -4.87 120.40 107.19 1i16 s VAL 76 Ca 0.42 -1.91 -0.14 0.00 -1.81 0.00 0.00 61.98 58.54 1i16 s VAL 76 Cb 0.34 -1.85 0.04 0.00 0.56 0.00 0.00 36.38 35.47 1i16 s VAL 76 CO 0.09 -0.70 0.41 0.00 -0.31 0.00 0.00 175.10 174.59 1i16 s GLN 77 N -3.93 0.47 0.06 4.82 0.00 -1.26 -5.12 119.66 114.70 1i16 s GLN 77 Ca 0.17 0.57 -0.29 0.00 -0.00 0.00 0.00 55.36 55.81 1i16 s GLN 77 Cb 0.07 0.22 -0.05 0.00 0.00 0.00 0.00 33.01 33.25 1i16 s GLN 77 CO -0.02 -0.06 0.95 -1.25 0.00 0.00 0.00 175.29 174.91 1i16 s PRO 78 N 0.26 4.63 -0.31 9.60 0.04 -1.26 -3.53 135.00 144.42 1i16 s PRO 78 Ca -0.00 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1i16 s PRO 78 Cb -0.03 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.10 1i16 s PRO 78 CO 0.00 0.12 0.00 0.41 0.04 0.00 0.00 177.00 177.57 1i16 n GLY 79 N 2.51 0.50 3.76 0.56 0.00 0.18 -4.95 105.19 107.75 1i16 n GLY 79 Ca 0.03 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1i16 n GLY 79 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i16 s ASP 80 N -2.23 7.05 -1.47 1.61 -4.77 -1.23 -4.75 116.67 110.88 1i16 s ASP 80 Ca 0.00 2.41 -0.10 0.00 -3.30 0.00 0.00 52.55 51.56 1i16 s ASP 80 Cb 0.00 -2.63 0.03 0.00 -1.09 0.00 0.00 42.92 39.22 1i16 s ASP 80 CO 0.00 -0.31 2.46 1.21 0.70 0.00 0.00 175.17 179.23 1i16 n GLU 81 N 0.97 3.56 -1.68 2.11 2.13 -1.26 -2.96 120.64 123.51 1i16 n GLU 81 Ca -0.00 -2.74 -0.48 0.00 0.66 0.00 0.00 57.16 54.60 1i16 n GLU 81 Cb 0.44 -2.95 -0.05 0.00 0.27 0.00 0.00 31.44 29.15 1i16 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.41 0.00 0.00 177.13 175.83 1i16 n ILE 82 N 3.74 0.41 0.02 6.31 5.41 -1.24 -3.98 119.36 130.03 1i16 n ILE 82 Ca 0.61 -0.07 -0.22 0.00 1.00 0.00 0.00 62.75 64.07 1i16 n ILE 82 Cb 0.31 -1.78 -0.14 0.00 -0.71 0.00 0.00 39.64 37.32 1i16 n ILE 82 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1i16 h LEU 83 N 8.23 0.45 -7.92 1.39 3.38 -1.42 -3.42 115.31 115.99 1i16 h LEU 83 Ca -0.47 -0.88 -0.20 0.00 0.09 0.00 0.00 57.88 56.41 1i16 h LEU 83 Cb 1.27 -0.15 -0.23 0.00 0.09 0.00 0.00 40.66 41.64 1i16 h LEU 83 CO 0.93 1.71 -0.71 -1.58 0.09 0.00 0.00 178.44 178.88 1i16 s GLN 84 N -2.52 0.24 0.00 1.13 2.00 -1.26 0.14 119.66 119.40 1i16 s GLN 84 Ca -0.19 -0.44 0.00 0.00 -2.00 0.00 0.00 55.36 52.73 1i16 s GLN 84 Cb 0.05 0.03 0.00 0.00 0.80 0.00 0.00 33.01 33.89 1i16 s GLN 84 CO 0.79 -0.02 0.00 1.28 -0.50 0.00 0.00 175.29 176.83 1i16 n LEU 85 N 2.05 0.00 0.03 3.68 7.99 0.36 -2.37 117.00 128.74 1i16 n LEU 85 Ca -0.20 0.00 0.04 0.00 -0.01 0.00 0.00 56.01 55.84 1i16 n LEU 85 Cb 0.56 0.00 0.19 0.00 -0.11 0.00 0.00 43.42 44.06 1i16 n LEU 85 CO 0.22 -0.29 0.62 0.61 -1.51 0.00 0.00 177.39 177.04 1i16 n GLY 86 N 5.00 -0.70 1.29 -0.72 0.00 0.31 -3.71 105.19 106.66 1i16 n GLY 86 Ca 0.00 0.03 -0.04 0.00 0.00 0.00 0.00 46.02 46.01 1i16 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 87 N -1.08 0.52 3.44 -0.02 0.00 -1.26 -4.57 105.19 102.22 1i16 n GLY 87 Ca 0.01 -0.04 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 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 0.03 -0.01 -0.36 2.61 -1.32 -1.24 -4.56 115.64 110.79 1i16 s THR 88 Ca 0.02 0.03 -0.07 0.00 -1.21 0.00 0.00 61.69 60.46 1i16 s THR 88 Cb 0.09 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.36 1i16 s THR 88 CO -0.03 0.01 0.15 0.00 -2.21 0.00 0.00 174.62 172.55 1i16 s ALA 89 N 1.04 3.12 0.11 11.08 0.00 -1.26 0.13 121.76 135.99 1i16 s ALA 89 Ca -0.06 -1.86 -0.30 0.00 0.00 0.00 0.00 51.96 49.73 1i16 s ALA 89 Cb -0.06 -2.39 -0.09 0.00 0.00 0.00 0.00 23.12 20.58 1i16 s ALA 89 CO -0.09 -1.43 1.59 0.52 0.00 0.00 0.00 175.76 176.35 1i16 h MET 90 N 8.27 -0.60 -1.70 0.00 2.86 0.91 -2.06 114.93 122.61 1i16 h MET 90 Ca -0.23 0.04 0.52 0.00 -2.06 0.00 0.00 59.70 57.97 1i16 h MET 90 Cb 1.08 0.14 -0.10 0.00 0.06 0.00 0.00 31.60 32.78 1i16 h MET 90 CO 0.64 -0.40 1.19 1.96 1.06 0.00 0.00 176.91 181.36 1i16 h GLN 91 N -0.62 0.02 -1.59 1.72 4.20 -1.81 0.88 115.11 117.91 1i16 h GLN 91 Ca 0.03 -0.00 -0.63 0.00 0.06 0.00 0.00 58.65 58.11 1i16 h GLN 91 Cb 0.66 -0.00 -0.39 0.00 0.30 0.00 0.00 27.48 28.05 1i16 h GLN 91 CO -0.26 0.01 -0.33 0.41 -0.67 0.00 0.00 178.83 177.99 1i16 n GLY 92 N -1.77 5.92 3.52 3.46 0.00 -0.78 -4.95 105.19 110.59 1i16 n GLY 92 Ca 0.41 -2.70 -0.17 0.00 0.00 0.00 0.00 46.02 43.57 1i16 n GLY 92 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1i16 s LEU 93 N -3.66 -0.61 0.00 0.99 1.98 0.31 -4.87 118.68 112.81 1i16 s LEU 93 Ca 0.49 0.64 -0.11 0.00 -2.89 0.00 0.00 54.13 52.26 1i16 s LEU 93 Cb 0.41 2.44 0.15 0.00 0.66 0.00 0.00 46.19 49.86 1i16 s LEU 93 CO -0.23 -0.59 0.92 0.35 -1.89 0.00 0.00 176.35 174.91 1i16 n THR 94 N 0.81 0.00 0.13 3.68 -2.24 -1.26 -4.75 114.28 110.65 1i16 n THR 94 Ca -0.18 -0.70 -0.11 0.00 -2.27 0.00 0.00 64.05 60.79 1i16 n THR 94 Cb 0.58 -1.63 -0.07 0.00 -2.10 0.00 0.00 70.33 67.11 1i16 n THR 94 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1i16 h ARG 95 N 0.00 -0.38 0.28 -0.78 1.12 -1.94 -0.84 114.38 111.84 1i16 h ARG 95 Ca -0.30 0.03 -0.01 0.00 -1.11 0.00 0.00 59.98 58.58 1i16 h ARG 95 Cb 0.83 0.09 0.00 0.00 -0.01 0.00 0.00 29.97 30.88 1i16 h ARG 95 CO 0.21 -0.04 -0.14 0.74 -3.11 0.00 0.00 179.97 177.64 1i16 h PHE 96 N -0.92 -0.35 -0.98 2.20 -1.00 -1.94 -2.15 116.94 111.79 1i16 h PHE 96 Ca -0.04 -0.01 0.18 0.00 2.81 0.00 0.00 57.97 60.92 1i16 h PHE 96 Cb 0.51 0.12 -0.11 0.00 3.61 0.00 0.00 35.95 40.08 1i16 h PHE 96 CO 0.04 -0.05 0.58 0.93 -1.61 0.00 0.00 178.31 178.21 1i16 h GLU 97 N -0.65 0.72 0.56 1.51 4.39 -1.95 -0.62 114.58 118.53 1i16 h GLU 97 Ca -0.04 -0.04 -0.03 0.00 0.34 0.00 0.00 59.36 59.59 1i16 h GLU 97 Cb 0.46 -0.16 0.01 0.00 -0.10 0.00 0.00 28.75 28.95 1i16 h GLU 97 CO 0.06 0.47 -0.27 0.00 -1.16 0.00 0.00 179.01 178.12 1i16 h ALA 98 N 1.63 -1.14 0.00 3.43 0.00 -0.92 -2.22 119.26 120.05 1i16 h ALA 98 Ca 0.56 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.31 1i16 h ALA 98 Cb 0.86 0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1i16 h ALA 98 CO -0.38 -1.09 0.04 1.87 0.00 0.00 0.00 179.25 179.69 1i16 n TRP 99 N -4.11 0.00 -0.01 0.00 -0.00 -0.83 -2.29 117.44 110.20 1i16 n TRP 99 Ca -0.09 0.00 -0.19 0.00 -0.00 0.00 0.00 57.50 57.22 1i16 n TRP 99 Cb 0.29 -0.44 -0.14 0.00 -0.00 0.00 0.00 31.31 31.03 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 0.27 -1.01 5.87 -0.26 -0.50 -3.18 115.58 116.77 1i16 h ASN 100 Ca 0.00 -0.90 0.08 0.00 -0.56 0.00 0.00 56.30 54.91 1i16 h ASN 100 Cb 0.07 -0.09 -0.07 0.00 -1.06 0.00 0.00 38.32 37.18 1i16 h ASN 100 CO 0.00 1.34 0.65 0.40 -1.06 0.00 0.00 177.43 178.76 1i16 h ILE 101 N -0.60 1.06 0.49 2.81 5.03 -1.22 -1.73 117.51 123.35 1i16 h ILE 101 Ca -0.16 -0.39 -0.02 0.00 -0.12 0.00 0.00 64.86 64.17 1i16 h ILE 101 Cb 1.45 -0.19 -0.00 0.00 -3.03 0.00 0.00 36.82 35.05 1i16 h ILE 101 CO 0.05 0.21 -0.29 0.40 -0.68 0.00 0.00 178.15 177.85 1i16 h ILE 102 N 1.15 0.00 -1.28 -0.67 5.03 -1.68 -1.57 117.51 118.49 1i16 h ILE 102 Ca 0.45 0.00 0.43 0.00 -0.12 0.00 0.00 64.86 65.62 1i16 h ILE 102 Cb 0.22 0.00 -0.13 0.00 -3.03 0.00 0.00 36.82 33.88 1i16 h ILE 102 CO -0.19 0.00 0.81 0.11 -0.68 0.00 0.00 178.15 178.20 1i16 h LYS 103 N -0.72 0.08 -0.00 2.37 1.57 -1.45 2.44 116.57 120.85 1i16 h LYS 103 Ca -0.07 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1i16 h LYS 103 Cb 0.57 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1i16 h LYS 103 CO 0.07 0.05 -0.03 0.00 -0.57 0.00 0.00 179.45 178.98 1i16 n ALA 104 N -2.49 2.66 -0.96 3.86 0.00 -0.68 -4.88 120.51 118.03 1i16 n ALA 104 Ca 0.37 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 1i16 n ALA 104 Cb 1.41 -1.41 0.24 0.00 0.00 0.00 0.00 19.45 19.69 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1i16 s LEU 105 N -2.18 0.55 0.91 0.00 1.43 0.82 -5.04 118.68 115.16 1i16 s LEU 105 Ca 0.39 0.78 -0.13 0.00 -1.03 0.00 0.00 54.13 54.15 1i16 s LEU 105 Cb 0.21 -2.54 0.18 0.00 0.03 0.00 0.00 46.19 44.07 1i16 s LEU 105 CO 0.40 -4.19 1.25 -2.16 0.23 0.00 0.00 176.35 171.88 1i16 s PRO 106 N -5.24 0.90 -0.79 1.29 0.04 -1.26 -5.01 135.00 124.93 1i16 s PRO 106 Ca 0.70 -0.55 -0.16 0.00 0.04 0.00 0.00 61.00 61.02 1i16 s PRO 106 Cb -0.12 -1.95 0.17 0.00 0.04 0.00 0.00 34.50 32.63 1i16 s PRO 106 CO 0.57 -2.18 0.83 -0.51 0.04 0.00 0.00 177.00 175.75 1i16 s ASP 107 N -4.85 6.58 0.00 6.66 1.11 -1.26 -4.62 116.67 120.29 1i16 s ASP 107 Ca 0.72 -2.22 0.00 0.00 0.18 0.00 0.00 52.55 51.23 1i16 s ASP 107 Cb -0.04 -2.28 0.00 0.00 1.07 0.00 0.00 42.92 41.67 1i16 s ASP 107 CO 0.51 -0.82 0.00 0.61 1.18 0.00 0.00 175.17 176.65 1i16 n GLY 108 N 4.71 2.62 3.57 0.21 0.00 -1.21 -4.86 105.19 110.24 1i16 n GLY 108 Ca 0.10 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.28 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 1.92 3.34 -0.15 1.61 0.04 -1.26 0.38 135.00 140.88 1i16 s PRO 109 Ca 0.00 0.36 -0.23 0.00 0.04 0.00 0.00 61.00 61.17 1i16 s PRO 109 Cb 0.00 -4.10 -0.03 0.00 0.04 0.00 0.00 34.50 30.41 1i16 s PRO 109 CO 0.00 -1.90 0.70 0.54 0.04 0.00 0.00 177.00 176.38 1i16 s VAL 110 N 5.81 4.99 -0.12 -0.36 0.11 0.40 -4.77 120.40 126.45 1i16 s VAL 110 Ca 0.49 1.38 -0.21 0.00 -2.93 0.00 0.00 61.98 60.71 1i16 s VAL 110 Cb -0.10 -4.02 -0.03 0.00 -1.53 0.00 0.00 36.38 30.70 1i16 s VAL 110 CO 0.24 0.12 0.63 -0.89 -3.33 0.00 0.00 175.10 171.88 1i16 s THR 111 N 1.68 5.07 0.14 5.04 2.01 -1.26 0.31 115.64 128.63 1i16 s THR 111 Ca 0.34 1.25 0.07 0.00 0.31 0.00 0.00 61.69 63.66 1i16 s THR 111 Cb -0.16 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.35 1i16 s THR 111 CO 0.13 0.22 -0.01 0.27 -0.69 0.00 0.00 174.62 174.53 1i16 s ILE 112 N 1.15 3.77 -0.20 1.82 -4.36 0.65 0.11 121.20 124.15 1i16 s ILE 112 Ca 0.32 -1.28 -0.04 0.00 -0.26 0.00 0.00 60.65 59.39 1i16 s ILE 112 Cb -0.16 -2.85 0.07 0.00 1.25 0.00 0.00 42.46 40.76 1i16 s ILE 112 CO 0.14 -0.02 0.09 -0.69 0.24 0.00 0.00 174.94 174.69 1i16 s VAL 113 N -1.55 0.05 0.01 8.37 1.01 -1.00 -1.22 120.40 126.07 1i16 s VAL 113 Ca 0.26 -0.36 0.08 0.00 0.00 0.00 0.00 61.98 61.97 1i16 s VAL 113 Cb -0.10 -0.74 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 1i16 s VAL 113 CO 0.18 -0.35 -0.25 0.27 0.00 0.00 0.00 175.10 174.96 1i16 s ILE 114 N 2.07 1.96 -0.30 2.22 -5.25 -1.21 -1.08 121.20 119.60 1i16 s ILE 114 Ca 0.03 -1.15 0.02 0.00 -0.99 0.00 0.00 60.65 58.56 1i16 s ILE 114 Cb -0.16 -1.64 0.09 0.00 2.95 0.00 0.00 42.46 43.69 1i16 s ILE 114 CO -0.13 0.46 0.02 -0.60 -1.79 0.00 0.00 174.94 172.89 1i16 s ARG 115 N -0.81 1.48 -0.30 0.37 3.52 -1.26 0.67 118.95 122.62 1i16 s ARG 115 Ca 0.10 -1.49 -0.22 0.00 -0.13 0.00 0.00 55.73 53.99 1i16 s ARG 115 Cb -0.09 -2.83 -0.01 0.00 -1.56 0.00 0.00 34.95 30.46 1i16 s ARG 115 CO 0.00 -0.83 0.70 0.50 -0.81 0.00 0.00 175.30 174.87 1i16 s ARG 116 N 1.15 3.96 0.33 5.12 3.52 0.14 -4.37 118.95 128.79 1i16 s ARG 116 Ca 0.05 0.47 0.10 0.00 -0.13 0.00 0.00 55.73 56.21 1i16 s ARG 116 Cb -0.19 -3.72 -0.06 0.00 -1.56 0.00 0.00 34.95 29.42 1i16 s ARG 116 CO -0.10 -0.60 -0.11 -1.59 -0.81 0.00 0.00 175.30 172.09 1i16 s LYS 117 N 2.75 1.77 0.00 5.12 0.00 -1.26 -2.04 119.74 126.08 1i16 s LYS 117 Ca 0.29 -1.90 0.00 0.00 0.00 0.00 0.00 55.97 54.36 1i16 s LYS 117 Cb -0.15 -1.66 0.00 0.00 0.00 0.00 0.00 37.83 36.03 1i16 s LYS 117 CO 0.12 0.16 0.00 0.45 0.00 0.00 0.00 175.35 176.07 1i16 n SER 118 N -0.75 0.00 -3.22 0.03 2.88 -0.35 -4.92 113.62 107.30 1i16 n SER 118 Ca -0.05 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.34 1i16 n SER 118 Cb 0.63 0.00 0.14 0.00 -0.75 0.00 0.00 64.21 64.23 1i16 n SER 118 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1i16 n LEU 119 N -1.61 0.00 -1.55 2.46 7.99 -1.26 -4.44 117.00 118.59 1i16 n LEU 119 Ca 0.00 -0.42 -0.05 0.00 -0.01 0.00 0.00 56.01 55.52 1i16 n LEU 119 Cb 0.00 -0.56 0.02 0.00 -0.11 0.00 0.00 43.42 42.78 1i16 n LEU 119 CO 0.00 -2.19 0.04 1.67 -1.51 0.00 0.00 177.39 175.40 1i16 n GLN 120 N -2.94 -1.87 -3.67 3.23 -0.06 -1.26 -5.05 117.38 105.76 1i16 n GLN 120 Ca 0.07 0.22 -0.16 0.00 -2.00 0.00 0.00 57.00 55.13 1i16 n GLN 120 Cb 0.29 -3.39 -0.15 0.00 -4.06 0.00 0.00 30.24 22.93 1i16 n GLN 120 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 1i16 s SER 121 N -3.28 0.61 -0.47 1.69 1.04 -1.26 -5.01 113.70 107.02 1i16 s SER 121 Ca 0.05 0.42 0.04 0.00 0.48 0.00 0.00 55.95 56.93 1i16 s SER 121 Cb -0.02 0.41 0.16 0.00 0.10 0.00 0.00 66.02 66.67 1i16 s SER 121 CO 0.19 -0.24 0.36 -0.54 0.98 0.00 0.00 173.24 173.99 1i16 s LYS 122 N 2.31 1.26 -0.20 4.02 1.02 -1.26 -4.88 119.74 122.01 1i16 s LYS 122 Ca 0.02 -2.32 0.08 0.00 0.02 0.00 0.00 55.97 53.78 1i16 s LYS 122 Cb -0.12 -1.94 0.24 0.00 -0.52 0.00 0.00 37.83 35.50 1i16 s LYS 122 CO -0.07 -1.33 1.18 -1.91 -0.92 0.00 0.00 175.35 172.30 1i16 n GLU 123 N 2.81 0.82 -1.12 1.68 2.13 -1.26 -5.00 120.64 120.70 1i16 n GLU 123 Ca 0.24 -0.87 -0.19 0.00 0.66 0.00 0.00 57.16 57.00 1i16 n GLU 123 Cb 0.43 0.36 -0.13 0.00 0.27 0.00 0.00 31.44 32.36 1i16 n GLU 123 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1i16 n THR 124 N -0.93 3.34 -3.13 6.31 -1.04 -1.26 -4.78 114.28 112.78 1i16 n THR 124 Ca -0.15 -1.89 -0.08 0.00 -2.04 0.00 0.00 64.05 59.90 1i16 n THR 124 Cb 0.74 -2.09 0.01 0.00 -1.82 0.00 0.00 70.33 67.17 1i16 n THR 124 CO 0.00 0.00 0.00 0.41 -0.64 0.00 0.00 175.07 174.84 1i16 n THR 125 N 2.58 -4.96 -0.66 12.58 -1.04 -1.26 -4.89 114.28 116.62 1i16 n THR 125 Ca 0.51 0.73 0.07 0.00 -2.04 0.00 0.00 64.05 63.32 1i16 n THR 125 Cb 0.74 -4.17 0.16 0.00 -1.82 0.00 0.00 70.33 65.24 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 n ALA 126 N 0.81 2.46 -1.82 2.41 0.00 -1.26 -4.69 120.51 118.42 1i16 n ALA 126 Ca -0.01 -1.91 -0.38 0.00 0.00 0.00 0.00 53.44 51.15 1i16 n ALA 126 Cb 0.43 -0.45 0.03 0.00 0.00 0.00 0.00 19.45 19.46 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 -0.52 6.50 0.00 0.00 0.00 -1.26 -4.63 120.51 120.60 1i16 n ALA 127 Ca 0.14 -3.91 0.00 0.00 0.00 0.00 0.00 53.44 49.67 1i16 n ALA 127 Cb 0.62 -2.00 0.00 0.00 0.00 0.00 0.00 19.45 18.06 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 -0.35 0.29 3.61 0.00 0.00 -1.26 -5.14 105.19 102.33 1i16 n GLY 128 Ca 0.54 -0.23 -0.34 0.00 0.00 0.00 0.00 46.02 45.98 1i16 n GLY 128 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 129 N 0.00 5.16 0.00 1.61 1.01 -1.26 -5.14 116.67 118.05 1i16 s ASP 129 Ca 0.00 0.04 0.24 0.00 0.71 0.00 0.00 52.55 53.54 1i16 s ASP 129 Cb 0.00 -1.66 1.40 0.00 1.01 0.00 0.00 42.92 43.68 1i16 s ASP 129 CO 0.00 0.27 1.77 -1.54 0.21 0.00 0.00 175.17 175.89