#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 n PRO 2 N 0.00 0.00 0.00 3.17 -0.04 -1.26 -5.10 135.00 131.77 1i16 n PRO 2 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1i16 n PRO 2 Cb 0.00 -0.17 0.00 0.00 -0.04 0.00 0.00 33.50 33.29 1i16 n PRO 2 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1i16 n ASP 3 N -0.12 0.00 -4.72 3.54 2.03 -1.26 -5.14 116.55 110.88 1i16 n ASP 3 Ca 0.00 0.00 -0.35 0.00 0.52 0.00 0.00 54.79 54.96 1i16 n ASP 3 Cb 0.00 0.00 0.09 0.00 -0.72 0.00 0.00 41.12 40.49 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1i16 s LEU 4 N 0.00 3.35 0.00 -2.67 2.01 -1.26 -5.01 118.68 115.10 1i16 s LEU 4 Ca 0.00 2.41 0.00 0.00 0.01 0.00 0.00 54.13 56.55 1i16 s LEU 4 Cb 0.00 -4.59 0.00 0.00 0.01 0.00 0.00 46.19 41.61 1i16 s LEU 4 CO 0.00 -2.25 0.00 0.59 1.01 0.00 0.00 176.35 175.70 1i16 n ASN 5 N -2.61 0.00 -2.73 2.29 5.03 -1.26 -5.06 115.26 110.93 1i16 n ASN 5 Ca 0.14 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.56 1i16 n ASN 5 Cb 0.50 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.23 1i16 n ASN 5 CO 0.00 0.00 0.00 -1.20 -1.83 0.00 0.00 177.26 174.23 1i16 n SER 6 N -0.23 -3.67 0.04 6.41 7.64 -1.26 -4.75 113.62 117.80 1i16 n SER 6 Ca 0.00 1.23 0.08 0.00 1.01 0.00 0.00 58.87 61.20 1i16 n SER 6 Cb 0.00 -3.69 0.36 0.00 -1.01 0.00 0.00 64.21 59.87 1i16 n SER 6 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1i16 n SER 7 N 2.06 0.20 -4.69 6.43 7.64 -1.26 -4.64 113.62 119.35 1i16 n SER 7 Ca -0.22 0.55 -0.42 0.00 1.01 0.00 0.00 58.87 59.79 1i16 n SER 7 Cb 0.34 -0.59 -0.03 0.00 -1.01 0.00 0.00 64.21 62.92 1i16 n SER 7 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1i16 s THR 8 N -3.09 4.79 0.00 0.44 2.01 -1.26 -4.60 115.64 113.92 1i16 s THR 8 Ca 0.06 2.02 0.00 0.00 0.31 0.00 0.00 61.69 64.08 1i16 s THR 8 Cb 0.09 -4.30 0.00 0.00 0.01 0.00 0.00 72.50 68.30 1i16 s THR 8 CO 0.30 0.01 0.00 0.47 -0.69 0.00 0.00 174.62 174.71 1i16 n ASP 9 N 5.02 0.00 0.09 3.53 8.00 -1.26 -5.01 116.55 126.91 1i16 n ASP 9 Ca 0.08 0.00 -0.03 0.00 0.71 0.00 0.00 54.79 55.55 1i16 n ASP 9 Cb 0.49 0.06 -0.02 0.00 -0.02 0.00 0.00 41.12 41.63 1i16 n ASP 9 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1i16 h SER 10 N 0.00 -0.19 -0.49 -2.24 0.02 -1.98 -3.46 113.55 105.21 1i16 h SER 10 Ca 0.00 0.01 0.16 0.00 -0.84 0.00 0.00 61.79 61.12 1i16 h SER 10 Cb 0.00 0.05 -0.20 0.00 0.14 0.00 0.00 62.40 62.39 1i16 h SER 10 CO 0.00 -0.10 -0.12 0.00 -1.14 0.00 0.00 176.83 175.46 1i16 s ALA 11 N -3.46 -3.51 -0.30 3.77 0.00 -1.26 -5.14 121.76 111.86 1i16 s ALA 11 Ca -0.03 1.28 -0.19 0.00 0.00 0.00 0.00 51.96 53.01 1i16 s ALA 11 Cb 0.00 -2.73 0.18 0.00 0.00 0.00 0.00 23.12 20.58 1i16 s ALA 11 CO 0.10 -1.99 1.27 0.00 0.00 0.00 0.00 175.76 175.15 1i16 s ALA 12 N 2.92 -3.73 -0.27 0.00 0.00 -1.26 -5.05 121.76 114.36 1i16 s ALA 12 Ca 0.21 1.44 0.11 0.00 0.00 0.00 0.00 51.96 53.72 1i16 s ALA 12 Cb -0.05 -2.52 0.47 0.00 0.00 0.00 0.00 23.12 21.02 1i16 s ALA 12 CO -0.23 -1.31 1.18 -1.13 0.00 0.00 0.00 175.76 174.26 1i16 n SER 13 N 5.13 4.00 -4.56 0.00 3.41 -1.26 -4.80 113.62 115.55 1i16 n SER 13 Ca -0.08 -3.40 -0.38 0.00 -0.26 0.00 0.00 58.87 54.75 1i16 n SER 13 Cb 0.55 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.09 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 s ALA 14 N -3.55 2.02 0.37 7.33 0.00 -1.26 -4.35 121.76 122.32 1i16 s ALA 14 Ca 0.45 -0.26 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1i16 s ALA 14 Cb 0.39 -4.29 0.00 0.00 0.00 0.00 0.00 23.12 19.22 1i16 s ALA 14 CO 0.01 -4.00 0.00 0.43 0.00 0.00 0.00 175.76 172.21 1i16 n SER 15 N 13.82 -2.89 -3.94 0.00 7.64 -1.26 -5.14 113.62 121.85 1i16 n SER 15 Ca 0.27 0.71 -0.10 0.00 1.01 0.00 0.00 58.87 60.76 1i16 n SER 15 Cb 0.53 2.78 -0.12 0.00 -1.01 0.00 0.00 64.21 66.39 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 s ALA 16 N -1.86 0.04 -0.27 -0.43 0.00 -1.26 -5.13 121.76 112.84 1i16 s ALA 16 Ca 0.00 -0.38 -0.01 0.00 0.00 0.00 0.00 51.96 51.56 1i16 s ALA 16 Cb 0.00 0.10 0.16 0.00 0.00 0.00 0.00 23.12 23.38 1i16 s ALA 16 CO 0.00 -0.12 0.46 0.00 0.00 0.00 0.00 175.76 176.10 1i16 s ALA 17 N -1.07 -1.53 0.00 0.00 0.00 -1.26 -5.00 121.76 112.91 1i16 s ALA 17 Ca -0.12 1.14 0.00 0.00 0.00 0.00 0.00 51.96 52.99 1i16 s ALA 17 Cb -0.07 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.14 1i16 s ALA 17 CO -0.01 -1.36 0.00 0.45 0.00 0.00 0.00 175.76 174.85 1i16 n SER 18 N 5.39 0.00 -0.77 0.00 2.88 -1.26 -4.83 113.62 115.03 1i16 n SER 18 Ca -0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.52 1i16 n SER 18 Cb 0.50 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.96 1i16 n SER 18 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1i16 n ASP 19 N 1.32 -4.94 -0.61 -3.46 -0.08 -1.26 -5.01 116.55 102.51 1i16 n ASP 19 Ca 0.00 0.53 0.04 0.00 -1.51 0.00 0.00 54.79 53.85 1i16 n ASP 19 Cb 0.00 -1.48 -0.02 0.00 2.34 0.00 0.00 41.12 41.96 1i16 n ASP 19 CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 1i16 n VAL 20 N -0.04 -0.76 -2.66 5.18 0.31 -1.26 -5.10 118.33 114.01 1i16 n VAL 20 Ca 0.00 0.48 0.00 0.00 -0.01 0.00 0.00 64.34 64.81 1i16 n VAL 20 Cb 0.00 -0.77 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1i16 n SER 21 N -2.48 0.00 -4.52 4.52 2.88 -1.26 -5.12 113.62 107.65 1i16 n SER 21 Ca -0.02 -0.38 -0.51 0.00 -1.33 0.00 0.00 58.87 56.64 1i16 n SER 21 Cb 0.24 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.65 1i16 n SER 21 CO 0.00 0.00 0.00 0.55 -1.23 0.00 0.00 175.04 174.36 1i16 n VAL 22 N 0.00 1.00 -4.01 2.46 3.14 -1.26 -4.94 118.33 114.72 1i16 n VAL 22 Ca 0.00 -0.25 -0.30 0.00 -2.96 0.00 0.00 64.34 60.83 1i16 n VAL 22 Cb 0.00 -0.49 -0.16 0.00 -1.06 0.00 0.00 33.84 32.13 1i16 n VAL 22 CO 0.00 0.00 0.00 -0.70 -6.46 0.00 0.00 176.83 169.67 1i16 s GLU 23 N -0.50 2.24 -0.04 1.45 2.56 -1.26 -4.96 118.70 118.19 1i16 s GLU 23 Ca 0.74 -0.54 -0.03 0.00 0.00 0.00 0.00 54.97 55.14 1i16 s GLU 23 Cb -0.95 -2.07 0.01 0.00 2.00 0.00 0.00 34.13 33.12 1i16 s GLU 23 CO 0.54 -0.24 0.07 -1.13 -0.56 0.00 0.00 175.26 173.94 1i16 n SER 24 N 4.79 -4.83 -3.20 -1.70 3.41 -1.26 -4.87 113.62 105.95 1i16 n SER 24 Ca -0.17 1.43 -0.34 0.00 -0.26 0.00 0.00 58.87 59.54 1i16 n SER 24 Cb 0.50 -3.95 -0.01 0.00 -0.26 0.00 0.00 64.21 60.49 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 1.96 4.34 -3.61 6.66 -2.24 -1.26 -4.99 114.28 115.14 1i16 n THR 25 Ca -0.12 -5.64 0.00 0.00 -2.27 0.00 0.00 64.05 56.02 1i16 n THR 25 Cb 0.18 -1.44 0.00 0.00 -2.10 0.00 0.00 70.33 66.97 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 -0.20 0.00 -2.27 6.98 0.00 -1.26 -5.12 120.51 118.64 1i16 n ALA 26 Ca 0.40 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.81 1i16 n ALA 26 Cb 0.34 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.77 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 0.00 -2.87 -2.01 0.00 1.02 -1.26 -4.86 120.64 110.66 1i16 n GLU 27 Ca 0.00 2.36 0.00 0.00 -0.02 0.00 0.00 57.16 59.50 1i16 n GLU 27 Cb 0.00 -3.86 0.00 0.00 -0.02 0.00 0.00 31.44 27.56 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 0.90 -1.94 -3.25 0.62 0.00 -1.26 -5.02 120.51 110.55 1i16 n ALA 28 Ca -0.18 0.47 -0.16 0.00 0.00 0.00 0.00 53.44 53.57 1i16 n ALA 28 Cb 0.28 -1.44 -0.15 0.00 0.00 0.00 0.00 19.45 18.14 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 -1.33 0.29 0.14 0.00 -4.23 -1.20 -5.02 115.64 104.29 1i16 s THR 29 Ca 0.00 -0.07 0.09 0.00 -1.18 0.00 0.00 61.69 60.53 1i16 s THR 29 Cb 0.00 -0.31 -0.04 0.00 1.34 0.00 0.00 72.50 73.49 1i16 s THR 29 CO 0.00 0.13 -0.17 -0.69 -0.54 0.00 0.00 174.62 173.35 1i16 s VAL 30 N 0.46 2.86 -0.37 2.29 1.01 -1.26 -1.03 120.40 124.36 1i16 s VAL 30 Ca -0.05 -1.60 0.01 0.00 0.00 0.00 0.00 61.98 60.35 1i16 s VAL 30 Cb -0.08 -2.34 0.15 0.00 0.00 0.00 0.00 36.38 34.11 1i16 s VAL 30 CO -0.01 0.03 0.26 0.00 0.00 0.00 0.00 175.10 175.38 1i16 s THR 32 N 0.85 3.58 0.10 0.00 2.01 -1.26 -3.40 115.64 117.52 1i16 s THR 32 Ca 0.22 1.19 -0.12 0.00 0.31 0.00 0.00 61.69 63.28 1i16 s THR 32 Cb -0.16 -3.76 0.02 0.00 0.01 0.00 0.00 72.50 68.61 1i16 s THR 32 CO -0.04 0.12 0.29 0.68 -0.69 0.00 0.00 174.62 174.98 1i16 s VAL 33 N 0.72 0.11 -0.11 3.82 -7.23 0.05 -4.97 120.40 112.78 1i16 s VAL 33 Ca 0.59 -0.88 -0.01 0.00 -1.81 0.00 0.00 61.98 59.88 1i16 s VAL 33 Cb -0.34 -1.23 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 1i16 s VAL 33 CO 0.32 -0.49 -0.09 0.42 -0.31 0.00 0.00 175.10 174.96 1i16 s THR 34 N -3.73 3.48 -0.78 5.32 -4.23 -1.26 0.27 115.64 114.72 1i16 s THR 34 Ca 0.03 -0.53 0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1i16 s THR 34 Cb 0.03 -2.46 0.30 0.00 1.34 0.00 0.00 72.50 71.70 1i16 s THR 34 CO -0.11 0.54 1.12 0.18 -0.54 0.00 0.00 174.62 175.82 1i16 n LEU 35 N 3.07 5.08 0.00 4.79 4.77 0.57 -4.59 117.00 130.69 1i16 n LEU 35 Ca -0.18 -5.45 0.00 0.00 -0.03 0.00 0.00 56.01 50.36 1i16 n LEU 35 Cb 0.53 -0.85 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 1i16 n LEU 35 CO 0.30 2.05 0.00 -1.84 -1.33 0.00 0.00 177.39 176.57 1i16 n GLU 36 N 0.56 0.00 -2.62 3.23 0.28 -1.26 -4.34 120.64 116.49 1i16 n GLU 36 Ca 0.32 0.00 -0.43 0.00 -0.16 0.00 0.00 57.16 56.89 1i16 n GLU 36 Cb 0.37 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.21 1i16 n GLU 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1i16 s LYS 37 N 0.00 4.20 0.00 3.44 2.36 0.12 -4.71 119.74 125.14 1i16 s LYS 37 Ca 0.00 1.32 0.00 0.00 -2.55 0.00 0.00 55.97 54.74 1i16 s LYS 37 Cb 0.00 -3.69 0.00 0.00 -1.05 0.00 0.00 37.83 33.09 1i16 s LYS 37 CO 0.00 -0.72 0.00 -1.33 1.55 0.00 0.00 175.35 174.85 1i16 n MET 38 N 6.52 0.27 -3.66 4.03 2.81 -1.26 -2.88 117.12 122.95 1i16 n MET 38 Ca 0.12 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.93 1i16 n MET 38 Cb 0.46 -0.57 -0.02 0.00 -0.71 0.00 0.00 33.22 32.38 1i16 n MET 38 CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 1i16 s SER 39 N -2.31 -0.35 0.00 7.83 1.04 -1.26 -4.99 113.70 113.66 1i16 s SER 39 Ca 0.00 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.13 1i16 s SER 39 Cb 0.00 0.59 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1i16 s SER 39 CO 0.00 -1.03 0.00 0.00 0.98 0.00 0.00 173.24 173.19 1i16 n ALA 40 N -0.41 0.00 0.00 5.32 0.00 -1.26 -4.00 120.51 120.16 1i16 n ALA 40 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 1i16 n ALA 40 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 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 -0.68 1.32 0.00 0.00 -1.26 -4.87 105.19 99.69 1i16 n GLY 41 Ca 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 46.02 46.29 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 -0.29 -1.21 0.99 4.77 -1.26 -1.42 117.00 118.58 1i16 n LEU 42 Ca 0.00 0.10 -0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1i16 n LEU 42 Cb 0.00 -0.96 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 1i16 n LEU 42 CO 0.00 -0.21 -0.05 0.61 -1.33 0.00 0.00 177.39 176.41 1i16 n GLY 43 N -0.08 0.44 3.10 -0.72 0.00 -1.26 -4.83 105.19 101.85 1i16 n GLY 43 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.85 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 -1.47 -0.29 -0.03 1.61 -0.12 -0.51 0.29 117.98 117.45 1i16 s PHE 44 Ca 0.00 0.71 0.04 0.00 -0.05 0.00 0.00 56.93 57.62 1i16 s PHE 44 Cb 0.00 0.08 -0.03 0.00 -0.63 0.00 0.00 43.02 42.44 1i16 s PHE 44 CO 0.00 -0.17 -0.13 -1.54 -0.05 0.00 0.00 175.22 173.33 1i16 s SER 45 N 0.55 4.14 -0.07 1.98 1.04 -0.89 -4.99 113.70 115.47 1i16 s SER 45 Ca -0.03 -0.20 -0.12 0.00 0.48 0.00 0.00 55.95 56.08 1i16 s SER 45 Cb -0.05 -0.88 -0.05 0.00 0.10 0.00 0.00 66.02 65.14 1i16 s SER 45 CO -0.03 0.33 0.30 -0.76 0.98 0.00 0.00 173.24 174.06 1i16 s LEU 46 N -0.91 4.41 0.05 2.42 1.02 -1.26 -0.90 118.68 123.51 1i16 s LEU 46 Ca 0.13 0.73 -0.18 0.00 0.02 0.00 0.00 54.13 54.83 1i16 s LEU 46 Cb -0.11 -2.39 0.04 0.00 0.02 0.00 0.00 46.19 43.75 1i16 s LEU 46 CO 0.02 0.31 0.41 -1.61 0.02 0.00 0.00 176.35 175.50 1i16 s GLU 47 N -0.79 0.93 0.00 1.70 2.02 0.45 -4.76 118.70 118.26 1i16 s GLU 47 Ca 0.20 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.78 1i16 s GLU 47 Cb -0.15 0.42 0.00 0.00 0.10 0.00 0.00 34.13 34.50 1i16 s GLU 47 CO 0.09 -0.33 0.00 0.41 0.02 0.00 0.00 175.26 175.45 1i16 n GLY 48 N 0.42 0.19 3.18 -1.39 0.00 -1.26 0.14 105.19 106.47 1i16 n GLY 48 Ca -0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 46.02 45.45 1i16 n GLY 48 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1i16 s GLY 49 N 0.00 0.13 0.06 -0.02 0.00 -1.24 -4.83 107.32 101.42 1i16 s GLY 49 Ca 0.00 -0.61 0.25 0.00 0.00 0.00 0.00 44.72 44.37 1i16 s GLY 49 CO 0.00 -0.78 1.50 0.58 0.00 0.00 0.00 173.10 174.40 1i16 n LYS 50 N 0.22 0.12 0.00 2.90 2.85 -1.26 -2.70 118.16 120.29 1i16 n LYS 50 Ca -0.16 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.14 1i16 n LYS 50 Cb 0.61 -1.59 0.00 0.00 -0.65 0.00 0.00 35.03 33.40 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 1.43 1.43 2.53 2.58 0.00 -1.23 -4.83 105.19 107.10 1i16 n GLY 51 Ca 0.05 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.71 0.00 1.61 7.64 -1.26 -4.95 113.62 114.95 1i16 n SER 52 Ca 0.00 -2.86 0.00 0.00 1.01 0.00 0.00 58.87 57.02 1i16 n SER 52 Cb 0.00 0.66 0.00 0.00 -1.01 0.00 0.00 64.21 63.86 1i16 n SER 52 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1i16 n LEU 53 N 2.11 0.00 0.00 -3.43 -0.00 -1.26 -5.04 117.00 109.38 1i16 n LEU 53 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.20 1i16 n LEU 53 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.98 1i16 n LEU 53 CO 0.07 -0.32 -0.00 1.57 -0.00 0.00 0.00 177.39 178.71 1i16 n HIS 54 N -1.96 0.00 0.00 1.96 -0.00 -1.26 -5.02 115.22 108.94 1i16 n HIS 54 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1i16 n HIS 54 Cb 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 29.87 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 0.05 0.25 2.52 1.57 0.00 -1.26 -5.08 105.19 103.25 1i16 n GLY 55 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 1i16 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 56 N 0.00 2.82 -0.66 1.61 1.01 -1.26 -5.06 116.67 115.13 1i16 s ASP 56 Ca 0.00 -1.88 0.05 0.00 0.71 0.00 0.00 52.55 51.42 1i16 s ASP 56 Cb 0.00 -0.24 0.17 0.00 1.01 0.00 0.00 42.92 43.85 1i16 s ASP 56 CO 0.00 -0.33 0.46 -1.59 0.21 0.00 0.00 175.17 173.91 1i16 s LYS 57 N 1.37 2.28 -0.40 8.23 0.00 -1.26 -4.82 119.74 125.14 1i16 s LYS 57 Ca 0.16 -3.17 -0.19 0.00 0.00 0.00 0.00 55.97 52.77 1i16 s LYS 57 Cb -0.20 -3.24 0.01 0.00 0.00 0.00 0.00 37.83 34.39 1i16 s LYS 57 CO -0.08 -1.28 0.56 -1.25 0.00 0.00 0.00 175.35 173.30 1i16 s PRO 58 N -1.21 3.40 -0.12 1.78 0.04 -1.25 -3.47 135.00 134.18 1i16 s PRO 58 Ca 0.25 -0.33 -0.29 0.00 0.04 0.00 0.00 61.00 60.66 1i16 s PRO 58 Cb -0.06 -3.89 -0.04 0.00 0.04 0.00 0.00 34.50 30.55 1i16 s PRO 58 CO -0.15 -0.82 1.63 -0.51 0.04 0.00 0.00 177.00 177.19 1i16 s LEU 59 N 2.53 4.15 0.08 -3.56 1.02 -1.10 -3.60 118.68 118.20 1i16 s LEU 59 Ca 0.19 2.00 0.00 0.00 0.02 0.00 0.00 54.13 56.34 1i16 s LEU 59 Cb -0.15 -3.53 -0.04 0.00 0.02 0.00 0.00 46.19 42.48 1i16 s LEU 59 CO 0.16 -1.05 -0.03 0.42 0.02 0.00 0.00 176.35 175.86 1i16 s THR 60 N 4.49 0.41 0.01 5.49 -4.23 0.37 -3.68 115.64 118.50 1i16 s THR 60 Ca 0.72 -1.87 -0.30 0.00 -1.18 0.00 0.00 61.69 59.06 1i16 s THR 60 Cb -0.30 -1.65 -0.06 0.00 1.34 0.00 0.00 72.50 71.83 1i16 s THR 60 CO 0.29 -0.88 1.49 -0.63 -0.54 0.00 0.00 174.62 174.34 1i16 s ILE 61 N -3.81 3.53 -0.21 2.99 1.01 -1.17 0.17 121.20 123.71 1i16 s ILE 61 Ca 0.11 0.91 -0.08 0.00 0.00 0.00 0.00 60.65 61.58 1i16 s ILE 61 Cb 0.07 -3.58 -0.10 0.00 0.01 0.00 0.00 42.46 38.86 1i16 s ILE 61 CO -0.06 -0.01 -0.25 0.59 0.00 0.00 0.00 174.94 175.20 1i16 n ASN 62 N 5.65 1.67 -4.12 3.58 5.03 -0.08 -0.27 115.26 126.73 1i16 n ASN 62 Ca 0.14 0.19 -0.36 0.00 0.87 0.00 0.00 54.58 55.42 1i16 n ASN 62 Cb 0.43 -0.56 -0.12 0.00 -1.02 0.00 0.00 39.78 38.50 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.60 -1.83 0.00 0.00 177.26 174.83 1i16 s ARG 63 N -2.39 1.99 0.02 3.52 3.52 -1.25 -4.84 118.95 119.53 1i16 s ARG 63 Ca -0.29 -1.80 -0.09 0.00 -0.13 0.00 0.00 55.73 53.42 1i16 s ARG 63 Cb 0.11 -3.55 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 1i16 s ARG 63 CO 0.39 -1.05 0.33 0.42 -0.81 0.00 0.00 175.30 174.58 1i16 s ILE 64 N 1.13 5.20 0.27 4.11 1.01 -1.26 -2.10 121.20 129.56 1i16 s ILE 64 Ca 0.08 0.41 0.07 0.00 0.00 0.00 0.00 60.65 61.21 1i16 s ILE 64 Cb -0.22 -3.61 -0.04 0.00 0.01 0.00 0.00 42.46 38.60 1i16 s ILE 64 CO -0.04 0.41 0.19 -0.36 0.00 0.00 0.00 174.94 175.13 1i16 s PHE 65 N -1.26 3.01 -0.25 3.97 0.08 0.84 -4.94 117.98 119.42 1i16 s PHE 65 Ca 0.27 -0.17 0.01 0.00 0.12 0.00 0.00 56.93 57.17 1i16 s PHE 65 Cb -0.14 -1.46 0.05 0.00 -0.57 0.00 0.00 43.02 40.90 1i16 s PHE 65 CO 0.15 0.47 -0.10 0.21 -0.10 0.00 0.00 175.22 175.85 1i16 s LYS 66 N -3.85 2.46 0.00 0.44 2.20 -1.26 -4.71 119.74 115.02 1i16 s LYS 66 Ca 0.34 -1.21 0.00 0.00 -0.36 0.00 0.00 55.97 54.75 1i16 s LYS 66 Cb -0.07 -2.90 0.00 0.00 -1.51 0.00 0.00 37.83 33.35 1i16 s LYS 66 CO 0.24 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.14 1i16 n GLY 67 N 4.52 2.14 3.52 5.54 0.00 -1.26 -5.10 105.19 114.56 1i16 n GLY 67 Ca -0.15 -0.20 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 0.00 3.50 -0.02 4.61 0.00 -1.26 -5.01 121.76 123.59 1i16 s ALA 68 Ca 0.00 -1.40 -0.11 0.00 0.00 0.00 0.00 51.96 50.44 1i16 s ALA 68 Cb 0.00 -2.69 0.04 0.00 0.00 0.00 0.00 23.12 20.47 1i16 s ALA 68 CO 0.00 -1.01 0.52 0.00 0.00 0.00 0.00 175.76 175.26 1i16 n ALA 69 N 5.12 -1.47 -2.62 0.00 0.00 -1.26 -4.53 120.51 115.75 1i16 n ALA 69 Ca -0.12 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1i16 n ALA 69 Cb 0.49 0.04 0.00 0.00 0.00 0.00 0.00 19.45 19.99 1i16 n ALA 69 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 70 N -0.49 0.80 -1.53 0.00 7.64 -1.26 -4.84 113.62 113.93 1i16 n SER 70 Ca 0.02 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.76 1i16 n SER 70 Cb 0.23 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.53 1i16 n SER 70 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1i16 n GLU 71 N 0.00 2.73 -0.98 1.43 1.02 -1.26 -4.76 120.64 118.81 1i16 n GLU 71 Ca 0.00 -3.72 -0.20 0.00 -0.02 0.00 0.00 57.16 53.21 1i16 n GLU 71 Cb 0.00 -2.03 0.05 0.00 -0.02 0.00 0.00 31.44 29.43 1i16 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i16 n GLN 72 N -0.90 1.98 -3.13 3.49 6.02 -1.26 -4.89 117.38 118.68 1i16 n GLN 72 Ca 0.37 -1.90 -0.14 0.00 -0.01 0.00 0.00 57.00 55.32 1i16 n GLN 72 Cb 0.88 -1.75 0.01 0.00 1.02 0.00 0.00 30.24 30.41 1i16 n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1i16 n SER 73 N 0.10 -6.81 -2.44 1.08 3.41 -1.26 -4.47 113.62 103.23 1i16 n SER 73 Ca 0.36 0.46 -0.05 0.00 -0.26 0.00 0.00 58.87 59.39 1i16 n SER 73 Cb 0.60 -3.09 -0.04 0.00 -0.26 0.00 0.00 64.21 61.42 1i16 n SER 73 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1i16 n GLU 74 N 0.41 -3.86 -1.15 4.33 1.02 -1.26 -4.91 120.64 115.23 1i16 n GLU 74 Ca -0.00 2.99 -0.17 0.00 -0.02 0.00 0.00 57.16 59.95 1i16 n GLU 74 Cb 0.45 -4.52 0.16 0.00 -0.02 0.00 0.00 31.44 27.51 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1i16 n THR 75 N 1.37 2.93 -3.90 2.62 -2.24 -1.26 -4.97 114.28 108.82 1i16 n THR 75 Ca -0.33 -2.70 -0.09 0.00 -2.27 0.00 0.00 64.05 58.66 1i16 n THR 75 Cb 0.51 -0.59 -0.05 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 -3.67 0.03 -0.13 2.28 -7.23 -1.26 -4.83 120.40 105.59 1i16 s VAL 76 Ca 0.52 -1.20 -0.14 0.00 -1.81 0.00 0.00 61.98 59.36 1i16 s VAL 76 Cb 0.45 -1.87 0.04 0.00 0.56 0.00 0.00 36.38 35.55 1i16 s VAL 76 CO 0.03 -0.15 0.38 0.00 -0.31 0.00 0.00 175.10 175.06 1i16 s GLN 77 N -3.95 0.48 -0.30 4.82 0.00 -1.26 -5.11 119.66 114.32 1i16 s GLN 77 Ca 0.16 0.48 -0.28 0.00 -0.00 0.00 0.00 55.36 55.72 1i16 s GLN 77 Cb 0.01 0.23 0.01 0.00 0.00 0.00 0.00 33.01 33.26 1i16 s GLN 77 CO 0.02 -0.07 1.01 -1.25 0.00 0.00 0.00 175.29 175.00 1i16 s PRO 78 N 0.07 4.07 -1.20 9.60 0.04 -1.26 -3.79 135.00 142.53 1i16 s PRO 78 Ca -0.01 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.04 1i16 s PRO 78 Cb -0.03 -3.72 0.00 0.00 0.04 0.00 0.00 34.50 30.79 1i16 s PRO 78 CO 0.01 -0.82 0.00 0.41 0.04 0.00 0.00 177.00 176.64 1i16 n GLY 79 N 3.86 0.50 3.85 0.56 0.00 0.63 -4.97 105.19 109.63 1i16 n GLY 79 Ca 0.10 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 1i16 n GLY 79 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 80 N -2.62 6.53 -1.28 1.61 1.01 -1.25 -4.76 116.67 115.91 1i16 s ASP 80 Ca 0.00 1.54 -0.06 0.00 0.71 0.00 0.00 52.55 54.73 1i16 s ASP 80 Cb 0.00 -2.50 0.15 0.00 1.01 0.00 0.00 42.92 41.58 1i16 s ASP 80 CO 0.00 -0.65 2.15 1.21 0.21 0.00 0.00 175.17 178.08 1i16 n GLU 81 N -1.84 4.31 -1.68 8.23 2.13 -1.26 -3.05 120.64 127.48 1i16 n GLU 81 Ca 0.06 -3.59 -0.46 0.00 0.66 0.00 0.00 57.16 53.83 1i16 n GLU 81 Cb 0.54 -2.72 -0.04 0.00 0.27 0.00 0.00 31.44 29.49 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 2.15 0.53 0.06 6.31 5.41 -1.24 -4.08 119.36 128.50 1i16 n ILE 82 Ca 0.52 -0.10 -0.21 0.00 1.00 0.00 0.00 62.75 63.97 1i16 n ILE 82 Cb 0.29 -1.94 -0.14 0.00 -0.71 0.00 0.00 39.64 37.14 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 9.03 0.59 -7.58 1.39 3.38 -1.72 -3.45 115.31 116.96 1i16 h LEU 83 Ca -0.48 -0.90 -0.08 0.00 0.09 0.00 0.00 57.88 56.51 1i16 h LEU 83 Cb 1.26 -0.19 -0.15 0.00 0.09 0.00 0.00 40.66 41.67 1i16 h LEU 83 CO 0.94 1.44 -0.24 0.00 0.09 0.00 0.00 178.44 180.67 1i16 s GLN 84 N -2.68 0.88 0.51 1.13 0.00 -1.26 -0.55 119.66 117.70 1i16 s GLN 84 Ca -0.12 -0.65 0.08 0.00 -0.00 0.00 0.00 55.36 54.67 1i16 s GLN 84 Cb 0.02 0.38 0.08 0.00 0.00 0.00 0.00 33.01 33.49 1i16 s GLN 84 CO 0.86 -0.30 0.66 1.28 0.00 0.00 0.00 175.29 177.79 1i16 n LEU 85 N 0.26 0.00 0.00 2.60 4.32 0.82 -3.37 117.00 121.63 1i16 n LEU 85 Ca -0.17 -2.30 0.05 0.00 -0.02 0.00 0.00 56.01 53.57 1i16 n LEU 85 Cb 0.61 -0.32 0.24 0.00 -1.62 0.00 0.00 43.42 42.32 1i16 n LEU 85 CO 0.21 -0.67 0.60 0.61 -1.22 0.00 0.00 177.39 176.92 1i16 n GLY 86 N -1.26 -0.62 1.05 -0.72 0.00 0.23 -3.08 105.19 100.79 1i16 n GLY 86 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.48 0.74 3.61 -0.02 0.00 -1.26 -4.75 105.19 103.03 1i16 n GLY 87 Ca 0.04 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 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 0.00 0.00 -0.07 2.61 -1.32 -1.18 -4.48 115.64 111.20 1i16 s THR 88 Ca 0.12 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.61 1i16 s THR 88 Cb 0.14 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.15 1i16 s THR 88 CO -0.06 0.00 -0.09 0.00 -2.21 0.00 0.00 174.62 172.26 1i16 s ALA 89 N -0.38 1.14 -0.00 11.08 0.00 -1.26 0.29 121.76 132.62 1i16 s ALA 89 Ca 0.00 -0.36 -0.15 0.00 0.00 0.00 0.00 51.96 51.45 1i16 s ALA 89 Cb -0.03 -0.62 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 1i16 s ALA 89 CO -0.02 -0.05 0.85 0.52 0.00 0.00 0.00 175.76 177.06 1i16 h MET 90 N 7.34 -0.52 -1.33 0.00 2.86 -1.15 -3.19 114.93 118.94 1i16 h MET 90 Ca -0.32 0.04 0.38 0.00 -2.06 0.00 0.00 59.70 57.74 1i16 h MET 90 Cb 1.17 0.12 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1i16 h MET 90 CO 0.45 -0.35 1.02 1.04 1.06 0.00 0.00 176.91 180.13 1i16 n GLN 91 N -4.14 0.00 -2.18 1.72 1.13 -1.26 0.27 117.38 112.92 1i16 n GLN 91 Ca -0.07 0.78 -0.31 0.00 -1.94 0.00 0.00 57.00 55.46 1i16 n GLN 91 Cb 0.21 -1.83 0.02 0.00 0.11 0.00 0.00 30.24 28.75 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 5.89 0.00 1.08 0.00 -1.21 -4.99 105.19 104.33 1i16 n GLY 92 Ca 0.30 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.68 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -0.55 0.00 -4.81 0.99 4.77 0.75 -4.90 117.00 113.25 1i16 n LEU 93 Ca 0.46 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 56.17 1i16 n LEU 93 Cb 0.56 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.60 1i16 n LEU 93 CO 0.42 0.00 -0.10 -0.89 -1.33 0.00 0.00 177.39 175.50 1i16 s THR 94 N -2.65 1.80 -0.00 -5.08 2.01 -1.26 -4.84 115.64 105.62 1i16 s THR 94 Ca 0.00 -1.68 -0.23 0.00 0.31 0.00 0.00 61.69 60.08 1i16 s THR 94 Cb 0.00 -2.48 -0.14 0.00 0.01 0.00 0.00 72.50 69.89 1i16 s THR 94 CO 0.00 0.00 1.02 -0.09 -0.69 0.00 0.00 174.62 174.86 1i16 h ARG 95 N 1.15 -0.68 0.05 4.92 1.12 -1.90 -0.77 114.38 118.27 1i16 h ARG 95 Ca -0.41 0.05 -0.00 0.00 -1.11 0.00 0.00 59.98 58.51 1i16 h ARG 95 Cb 1.29 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 31.40 1i16 h ARG 95 CO 0.66 -0.39 -0.02 0.74 -3.11 0.00 0.00 179.97 177.84 1i16 h PHE 96 N -1.10 -0.06 -0.93 2.20 -1.00 -1.95 -2.82 116.94 111.29 1i16 h PHE 96 Ca -0.07 -0.00 0.20 0.00 2.81 0.00 0.00 57.97 60.91 1i16 h PHE 96 Cb 0.60 0.02 -0.11 0.00 3.61 0.00 0.00 35.95 40.07 1i16 h PHE 96 CO 0.01 0.25 0.49 0.93 -1.61 0.00 0.00 178.31 178.38 1i16 h GLU 97 N -0.38 0.55 0.00 1.51 4.39 -1.97 -1.88 114.58 116.79 1i16 h GLU 97 Ca -0.01 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1i16 h GLU 97 Cb 0.34 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 28.87 1i16 h GLU 97 CO 0.01 0.36 -0.02 0.00 -1.16 0.00 0.00 179.01 178.20 1i16 h ALA 98 N 1.67 -0.52 0.00 3.43 0.00 -0.86 0.12 119.26 123.10 1i16 h ALA 98 Ca 0.56 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.47 1i16 h ALA 98 Cb 0.97 0.52 0.00 0.00 0.00 0.00 0.00 17.79 19.28 1i16 h ALA 98 CO -0.45 -0.52 0.14 1.87 0.00 0.00 0.00 179.25 180.28 1i16 n TRP 99 N -2.63 0.48 -0.00 0.00 -0.00 -0.91 -2.07 117.44 112.30 1i16 n TRP 99 Ca -0.00 0.25 -0.18 0.00 -0.00 0.00 0.00 57.50 57.56 1i16 n TRP 99 Cb 0.02 -0.80 -0.14 0.00 -0.00 0.00 0.00 31.31 30.39 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 0.28 -1.00 5.87 2.35 -0.01 -3.20 115.58 119.87 1i16 h ASN 100 Ca 0.00 -0.93 0.05 0.00 -0.55 0.00 0.00 56.30 54.87 1i16 h ASN 100 Cb 0.28 -0.09 -0.06 0.00 0.05 0.00 0.00 38.32 38.49 1i16 h ASN 100 CO 0.00 1.31 0.65 0.40 -1.65 0.00 0.00 177.43 178.14 1i16 h ILE 101 N -0.59 1.13 0.93 2.81 5.03 -0.70 -2.83 117.51 123.30 1i16 h ILE 101 Ca -0.13 -0.42 -0.05 0.00 -0.12 0.00 0.00 64.86 64.14 1i16 h ILE 101 Cb 1.44 -0.20 0.01 0.00 -3.03 0.00 0.00 36.82 35.04 1i16 h ILE 101 CO 0.07 0.22 -0.46 0.40 -0.68 0.00 0.00 178.15 177.70 1i16 h ILE 102 N 1.23 0.06 -1.37 -0.67 5.03 -1.67 -1.58 117.51 118.53 1i16 h ILE 102 Ca 0.41 0.00 0.40 0.00 -0.12 0.00 0.00 64.86 65.55 1i16 h ILE 102 Cb 0.08 0.06 -0.05 0.00 -3.03 0.00 0.00 36.82 33.87 1i16 h ILE 102 CO -0.15 0.00 1.18 0.11 -0.68 0.00 0.00 178.15 178.62 1i16 h LYS 103 N -1.27 0.00 -0.30 2.37 1.79 -1.50 2.58 116.57 120.25 1i16 h LYS 103 Ca -0.13 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.34 1i16 h LYS 103 Cb 0.98 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.63 1i16 h LYS 103 CO 0.20 0.00 0.00 0.00 -1.08 0.00 0.00 179.45 178.57 1i16 n ALA 104 N -2.59 2.47 -1.63 3.86 0.00 -0.61 -4.93 120.51 117.08 1i16 n ALA 104 Ca 0.31 -0.68 -0.30 0.00 0.00 0.00 0.00 53.44 52.76 1i16 n ALA 104 Cb 1.61 -1.01 0.21 0.00 0.00 0.00 0.00 19.45 20.26 1i16 n ALA 104 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 1i16 s LEU 105 N -1.36 1.98 0.88 0.00 2.34 0.87 -5.06 118.68 118.33 1i16 s LEU 105 Ca 0.32 0.37 -0.11 0.00 0.06 0.00 0.00 54.13 54.77 1i16 s LEU 105 Cb 0.17 -2.27 0.17 0.00 -0.56 0.00 0.00 46.19 43.71 1i16 s LEU 105 CO 0.25 -3.29 1.22 -2.16 -1.06 0.00 0.00 176.35 171.31 1i16 s PRO 106 N -5.74 1.03 -0.76 1.48 0.04 -1.26 -5.02 135.00 124.78 1i16 s PRO 106 Ca 0.73 -0.58 -0.16 0.00 0.04 0.00 0.00 61.00 61.03 1i16 s PRO 106 Cb -0.05 -2.00 0.17 0.00 0.04 0.00 0.00 34.50 32.66 1i16 s PRO 106 CO 0.54 -2.08 0.78 -0.51 0.04 0.00 0.00 177.00 175.78 1i16 s ASP 107 N -4.82 6.54 0.00 6.66 1.11 -1.26 -4.81 116.67 120.08 1i16 s ASP 107 Ca 0.71 -2.19 0.00 0.00 0.18 0.00 0.00 52.55 51.25 1i16 s ASP 107 Cb -0.05 -2.26 0.00 0.00 1.07 0.00 0.00 42.92 41.68 1i16 s ASP 107 CO 0.50 -0.82 0.00 0.61 1.18 0.00 0.00 175.17 176.64 1i16 n GLY 108 N 4.71 2.96 3.55 0.21 0.00 -1.14 -4.89 105.19 110.59 1i16 n GLY 108 Ca 0.07 -0.38 -0.40 0.00 0.00 0.00 0.00 46.02 45.31 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 2.37 3.15 -0.40 1.61 0.04 -1.26 0.11 135.00 140.61 1i16 s PRO 109 Ca 0.00 -0.28 -0.23 0.00 0.04 0.00 0.00 61.00 60.54 1i16 s PRO 109 Cb 0.00 -4.46 0.02 0.00 0.04 0.00 0.00 34.50 30.10 1i16 s PRO 109 CO 0.00 -2.30 0.76 0.54 0.04 0.00 0.00 177.00 176.04 1i16 s VAL 110 N 6.28 4.72 -0.11 -0.36 0.11 -1.26 -4.85 120.40 124.93 1i16 s VAL 110 Ca 0.43 0.64 -0.21 0.00 -2.93 0.00 0.00 61.98 59.91 1i16 s VAL 110 Cb -0.07 -4.24 -0.04 0.00 -1.53 0.00 0.00 36.38 30.50 1i16 s VAL 110 CO 0.11 -0.54 0.62 -0.89 -3.33 0.00 0.00 175.10 171.06 1i16 s THR 111 N 3.13 5.08 0.21 5.04 2.01 -1.26 0.21 115.64 130.07 1i16 s THR 111 Ca 0.30 1.25 0.10 0.00 0.31 0.00 0.00 61.69 63.65 1i16 s THR 111 Cb -0.13 -3.96 -0.04 0.00 0.01 0.00 0.00 72.50 68.38 1i16 s THR 111 CO 0.19 0.25 -0.13 0.27 -0.69 0.00 0.00 174.62 174.51 1i16 s ILE 112 N 0.95 2.91 -0.19 1.82 -4.36 0.77 0.76 121.20 123.87 1i16 s ILE 112 Ca 0.32 -1.91 -0.03 0.00 -0.26 0.00 0.00 60.65 58.78 1i16 s ILE 112 Cb -0.17 -2.46 0.06 0.00 1.25 0.00 0.00 42.46 41.14 1i16 s ILE 112 CO 0.14 -0.20 0.04 -0.69 0.24 0.00 0.00 174.94 174.47 1i16 s VAL 113 N -1.92 0.51 -0.10 8.37 1.01 -1.22 -0.77 120.40 126.28 1i16 s VAL 113 Ca 0.26 -0.54 0.01 0.00 0.00 0.00 0.00 61.98 61.71 1i16 s VAL 113 Cb -0.08 -1.01 -0.02 0.00 0.00 0.00 0.00 36.38 35.27 1i16 s VAL 113 CO 0.15 -0.20 -0.11 0.27 0.00 0.00 0.00 175.10 175.20 1i16 s ILE 114 N 1.87 3.25 -0.22 2.22 -5.25 -1.22 -2.02 121.20 119.83 1i16 s ILE 114 Ca -0.01 -0.62 -0.00 0.00 -0.99 0.00 0.00 60.65 59.04 1i16 s ILE 114 Cb -0.17 -2.34 0.06 0.00 2.95 0.00 0.00 42.46 42.96 1i16 s ILE 114 CO -0.08 0.55 -0.03 -0.60 -1.79 0.00 0.00 174.94 172.99 1i16 s ARG 115 N -0.12 1.39 -0.52 0.37 3.52 -1.26 -0.25 118.95 122.08 1i16 s ARG 115 Ca -0.01 -0.85 -0.18 0.00 -0.13 0.00 0.00 55.73 54.57 1i16 s ARG 115 Cb -0.14 -2.47 0.08 0.00 -1.56 0.00 0.00 34.95 30.86 1i16 s ARG 115 CO 0.03 -0.61 0.60 -0.98 -0.81 0.00 0.00 175.30 173.53 1i16 s ARG 116 N 1.51 3.07 -1.48 5.12 1.70 -0.20 -4.16 118.95 124.51 1i16 s ARG 116 Ca -0.05 -1.12 -0.08 0.00 -0.47 0.00 0.00 55.73 54.01 1i16 s ARG 116 Cb -0.18 -4.16 0.02 0.00 -0.57 0.00 0.00 34.95 30.05 1i16 s ARG 116 CO -0.07 -1.27 2.63 1.17 -1.08 0.00 0.00 175.30 176.68 1i16 n LYS 117 N 5.99 3.99 -2.45 3.89 0.00 -1.26 -3.24 118.16 125.09 1i16 n LYS 117 Ca -0.09 -2.80 -0.02 0.00 0.00 0.00 0.00 58.31 55.41 1i16 n LYS 117 Cb 0.44 -2.77 -0.02 0.00 0.00 0.00 0.00 35.03 32.68 1i16 n LYS 117 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1i16 n SER 118 N 3.04 -6.03 -1.79 3.14 7.64 -1.26 -4.92 113.62 113.44 1i16 n SER 118 Ca 0.68 1.65 0.00 0.00 1.01 0.00 0.00 58.87 62.22 1i16 n SER 118 Cb 0.25 -5.02 0.02 0.00 -1.01 0.00 0.00 64.21 58.45 1i16 n SER 118 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1i16 n LEU 119 N 1.84 0.48 0.00 -3.43 0.00 -1.26 -4.90 117.00 109.73 1i16 n LEU 119 Ca -0.15 -2.33 0.00 0.00 0.00 0.00 0.00 56.01 53.53 1i16 n LEU 119 Cb 0.23 0.11 0.00 0.00 0.00 0.00 0.00 43.42 43.76 1i16 n LEU 119 CO 0.14 0.93 0.00 1.67 0.00 0.00 0.00 177.39 180.13 1i16 n GLN 120 N -0.03 0.00 0.00 1.96 7.27 -1.26 -5.15 117.38 120.17 1i16 n GLN 120 Ca -0.03 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.04 1i16 n GLN 120 Cb 0.96 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.61 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1i16 n SER 121 N 0.00 -0.97 -2.54 1.69 7.64 -1.26 -4.95 113.62 113.23 1i16 n SER 121 Ca 0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.86 1i16 n SER 121 Cb 0.00 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.18 1i16 n SER 121 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1i16 n LYS 122 N 0.00 -3.64 0.00 1.43 5.02 -1.26 -4.75 118.16 114.95 1i16 n LYS 122 Ca 0.00 2.86 0.00 0.00 -2.02 0.00 0.00 58.31 59.15 1i16 n LYS 122 Cb 0.00 -4.83 0.00 0.00 -0.02 0.00 0.00 35.03 30.18 1i16 n LYS 122 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1i16 n GLU 123 N 1.06 0.00 -2.23 1.97 4.07 -1.26 -4.85 120.64 119.40 1i16 n GLU 123 Ca -0.18 0.00 -0.02 0.00 -0.06 0.00 0.00 57.16 56.90 1i16 n GLU 123 Cb 0.28 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.65 1i16 n GLU 123 CO 0.00 0.00 0.00 0.25 -0.06 0.00 0.00 177.13 177.32 1i16 n THR 124 N 0.00 0.00 -4.18 6.31 -2.24 -1.25 -4.86 114.28 108.06 1i16 n THR 124 Ca 0.00 -0.24 -0.35 0.00 -2.27 0.00 0.00 64.05 61.19 1i16 n THR 124 Cb 0.00 0.11 -0.02 0.00 -2.10 0.00 0.00 70.33 68.32 1i16 n THR 124 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1i16 n THR 125 N -0.07 -1.26 0.00 4.28 -2.24 -1.26 -3.38 114.28 110.34 1i16 n THR 125 Ca 0.00 -0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.75 1i16 n THR 125 Cb 0.06 -1.88 0.00 0.00 -2.10 0.00 0.00 70.33 66.41 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1i16 n ALA 126 N -4.42 0.00 -1.55 6.98 0.00 -1.26 -4.57 120.51 115.68 1i16 n ALA 126 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1i16 n ALA 126 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.96 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 0.38 0.00 -1.58 0.00 0.00 -1.22 -4.92 120.51 113.18 1i16 n ALA 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 127 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 5.00 -0.40 2.60 0.00 0.00 -1.26 -3.90 105.19 107.23 1i16 n GLY 128 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 46.02 46.33 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 0.00 2.33 0.00 1.61 2.03 -1.26 -5.10 116.55 116.17 1i16 n ASP 129 Ca 0.00 -3.00 0.00 0.00 0.52 0.00 0.00 54.79 52.31 1i16 n ASP 129 Cb 0.00 -0.51 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 1i16 n ASP 129 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04