#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 s PRO 2 N 0.00 4.47 0.00 0.03 0.04 -1.26 -5.05 135.00 133.24 1i16 s PRO 2 Ca 0.00 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1i16 s PRO 2 Cb 0.00 -3.45 0.00 0.00 0.04 0.00 0.00 34.50 31.09 1i16 s PRO 2 CO 0.00 -0.20 0.00 -0.40 0.04 0.00 0.00 177.00 176.44 1i16 n ASP 3 N 4.24 -0.34 -3.44 6.66 5.75 -1.26 -5.08 116.55 123.08 1i16 n ASP 3 Ca 0.08 -0.55 -0.11 0.00 -0.01 0.00 0.00 54.79 54.20 1i16 n ASP 3 Cb 0.49 0.00 -0.10 0.00 -1.03 0.00 0.00 41.12 40.48 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.22 -0.11 0.00 0.00 177.20 176.87 1i16 s LEU 4 N 0.00 -0.50 0.00 -2.12 2.96 -1.26 -5.00 118.68 112.76 1i16 s LEU 4 Ca 0.00 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 1i16 s LEU 4 Cb 0.00 0.96 0.00 0.00 0.50 0.00 0.00 46.19 47.65 1i16 s LEU 4 CO 0.00 -0.29 0.00 -3.20 -1.32 0.00 0.00 176.35 171.54 1i16 n ASN 5 N 5.36 4.59 0.08 3.68 2.85 -1.26 -4.65 115.26 125.91 1i16 n ASN 5 Ca -0.05 -0.02 0.05 0.00 -0.11 0.00 0.00 54.58 54.44 1i16 n ASN 5 Cb 0.50 0.97 -0.03 0.00 1.24 0.00 0.00 39.78 42.46 1i16 n ASN 5 CO 0.00 0.00 0.00 0.28 -2.11 0.00 0.00 177.26 175.43 1i16 h SER 6 N 0.00 0.00 -1.75 1.20 0.02 -2.06 -3.50 113.55 107.46 1i16 h SER 6 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1i16 h SER 6 Cb 0.00 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1i16 h SER 6 CO 0.00 0.35 -0.11 -0.24 -1.14 0.00 0.00 176.83 175.69 1i16 n SER 7 N -2.88 -6.03 -4.78 3.07 2.88 -1.26 -4.66 113.62 99.97 1i16 n SER 7 Ca -0.04 0.33 -0.41 0.00 -1.33 0.00 0.00 58.87 57.42 1i16 n SER 7 Cb 0.72 -0.93 0.00 0.00 -0.75 0.00 0.00 64.21 63.25 1i16 n SER 7 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1i16 s THR 8 N -0.49 2.05 0.00 2.46 -1.32 -1.26 -4.99 115.64 112.09 1i16 s THR 8 Ca 0.00 0.05 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 1i16 s THR 8 Cb 0.00 -3.03 0.00 0.00 -1.51 0.00 0.00 72.50 67.96 1i16 s THR 8 CO 0.00 0.01 0.00 -0.90 -2.21 0.00 0.00 174.62 171.52 1i16 n ASP 9 N 0.30 -0.27 0.00 8.08 5.75 -1.26 -5.07 116.55 124.08 1i16 n ASP 9 Ca 0.02 -0.05 0.00 0.00 -0.01 0.00 0.00 54.79 54.75 1i16 n ASP 9 Cb 0.40 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.49 1i16 n ASP 9 CO 0.00 0.00 0.00 -0.24 -0.11 0.00 0.00 177.20 176.85 1i16 n SER 10 N -0.54 0.54 -4.37 -1.12 2.88 -1.26 -5.08 113.62 104.66 1i16 n SER 10 Ca 0.00 0.00 -0.39 0.00 -1.33 0.00 0.00 58.87 57.15 1i16 n SER 10 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 s ALA 11 N -2.19 3.19 -0.54 -1.46 0.00 -1.26 -5.02 121.76 114.49 1i16 s ALA 11 Ca 0.00 -1.57 -0.29 0.00 0.00 0.00 0.00 51.96 50.10 1i16 s ALA 11 Cb 0.00 -2.38 -0.11 0.00 0.00 0.00 0.00 23.12 20.63 1i16 s ALA 11 CO 0.00 -1.14 2.42 0.00 0.00 0.00 0.00 175.76 177.04 1i16 n ALA 12 N 4.93 0.84 -0.00 0.00 0.00 -1.26 -4.82 120.51 120.21 1i16 n ALA 12 Ca -0.13 -0.57 -0.00 0.00 0.00 0.00 0.00 53.44 52.74 1i16 n ALA 12 Cb 0.47 -2.87 -0.00 0.00 0.00 0.00 0.00 19.45 17.05 1i16 n ALA 12 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1i16 h SER 13 N 16.26 -0.01 -6.16 0.00 0.87 -2.06 -3.49 113.55 118.97 1i16 h SER 13 Ca -0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.34 1i16 h SER 13 Cb 1.28 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.24 1i16 h SER 13 CO 1.16 0.03 -0.84 0.00 -0.53 0.00 0.00 176.83 176.65 1i16 n ALA 14 N -2.05 -2.03 -3.70 6.23 0.00 -1.26 -4.97 120.51 112.72 1i16 n ALA 14 Ca -0.00 0.13 -0.27 0.00 0.00 0.00 0.00 53.44 53.29 1i16 n ALA 14 Cb 0.00 -0.68 -0.17 0.00 0.00 0.00 0.00 19.45 18.61 1i16 n ALA 14 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 15 N -0.88 2.81 0.43 0.00 0.01 -1.26 -5.09 113.70 109.72 1i16 s SER 15 Ca -0.01 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 56.46 1i16 s SER 15 Cb 0.00 -0.52 0.00 0.00 0.21 0.00 0.00 66.02 65.71 1i16 s SER 15 CO 0.11 -0.32 0.00 0.00 0.41 0.00 0.00 173.24 173.44 1i16 n ALA 16 N 5.10 0.00 -0.45 1.44 0.00 -1.26 -4.61 120.51 120.74 1i16 n ALA 16 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1i16 n ALA 16 Cb 0.47 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 2.01 2.55 -0.53 0.00 0.00 -1.26 -4.81 120.51 118.47 1i16 n ALA 17 Ca 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.28 1i16 n ALA 17 Cb 0.00 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.53 1i16 n ALA 17 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 18 N -1.83 4.67 -3.41 0.00 2.88 -1.26 -4.56 113.62 110.11 1i16 n SER 18 Ca 0.00 -3.02 -0.35 0.00 -1.33 0.00 0.00 58.87 54.17 1i16 n SER 18 Cb 0.00 -0.83 -0.01 0.00 -0.75 0.00 0.00 64.21 62.62 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 -0.22 5.86 -1.08 -3.46 -0.08 -1.26 -4.72 116.55 111.59 1i16 n ASP 19 Ca 0.35 -3.63 -0.03 0.00 -1.51 0.00 0.00 54.79 49.96 1i16 n ASP 19 Cb 0.95 -0.91 0.19 0.00 2.34 0.00 0.00 41.12 43.68 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 0.13 2.47 -3.82 5.18 0.31 -1.26 -4.93 118.33 116.41 1i16 n VAL 20 Ca 0.37 -3.04 -0.13 0.00 -0.01 0.00 0.00 64.34 61.53 1i16 n VAL 20 Cb 0.33 -0.37 -0.14 0.00 -0.91 0.00 0.00 33.84 32.75 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1i16 s SER 21 N -2.83 -0.08 -0.09 4.52 0.15 -1.26 -5.15 113.70 108.95 1i16 s SER 21 Ca 0.43 0.19 -0.18 0.00 0.70 0.00 0.00 55.95 57.10 1i16 s SER 21 Cb 0.40 0.16 0.04 0.00 -1.71 0.00 0.00 66.02 64.91 1i16 s SER 21 CO -0.02 -0.06 0.43 -0.69 1.20 0.00 0.00 173.24 174.10 1i16 s VAL 22 N 0.34 0.02 -0.49 4.45 1.01 -1.26 -5.05 120.40 119.42 1i16 s VAL 22 Ca -0.02 -0.18 0.03 0.00 0.00 0.00 0.00 61.98 61.80 1i16 s VAL 22 Cb -0.04 -0.68 0.49 0.00 0.00 0.00 0.00 36.38 36.15 1i16 s VAL 22 CO -0.01 -0.10 1.72 -0.62 0.00 0.00 0.00 175.10 176.08 1i16 n GLU 23 N 1.94 2.76 0.00 2.72 -0.58 -1.26 -4.40 120.64 121.82 1i16 n GLU 23 Ca -0.17 -3.48 0.00 0.00 -0.42 0.00 0.00 57.16 53.09 1i16 n GLU 23 Cb 0.57 -2.21 0.00 0.00 -0.57 0.00 0.00 31.44 29.23 1i16 n GLU 23 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1i16 n SER 24 N -0.92 1.36 -4.07 1.62 2.88 -1.26 -5.02 113.62 108.21 1i16 n SER 24 Ca 0.53 -0.07 -0.32 0.00 -1.33 0.00 0.00 58.87 57.68 1i16 n SER 24 Cb 0.92 0.42 -0.01 0.00 -0.75 0.00 0.00 64.21 64.78 1i16 n SER 24 CO 0.00 0.00 0.00 0.35 -1.23 0.00 0.00 175.04 174.16 1i16 n THR 25 N -0.55 -1.83 -3.38 2.46 -2.24 -1.26 -2.19 114.28 105.29 1i16 n THR 25 Ca 0.00 -0.13 -0.16 0.00 -2.27 0.00 0.00 64.05 61.49 1i16 n THR 25 Cb 0.00 -2.25 0.01 0.00 -2.10 0.00 0.00 70.33 65.99 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 -4.46 -2.66 -3.35 6.98 0.00 -1.26 -4.96 120.51 110.79 1i16 n ALA 26 Ca -0.03 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.25 1i16 n ALA 26 Cb 0.55 -1.57 -0.09 0.00 0.00 0.00 0.00 19.45 18.33 1i16 n ALA 26 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1i16 s GLU 27 N -3.63 0.81 0.31 0.00 2.02 -0.93 -5.05 118.70 112.22 1i16 s GLU 27 Ca 0.08 -1.73 0.00 0.00 0.02 0.00 0.00 54.97 53.34 1i16 s GLU 27 Cb -0.01 -1.21 0.00 0.00 0.10 0.00 0.00 34.13 33.00 1i16 s GLU 27 CO 0.83 -1.32 0.00 0.00 0.02 0.00 0.00 175.26 174.78 1i16 n ALA 28 N 3.26 -1.91 -2.82 5.21 0.00 -1.26 -4.97 120.51 118.01 1i16 n ALA 28 Ca 0.23 0.46 -0.14 0.00 0.00 0.00 0.00 53.44 54.00 1i16 n ALA 28 Cb 0.46 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 18.98 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 -3.54 0.20 0.20 0.00 -4.23 0.97 -4.76 115.64 104.48 1i16 s THR 29 Ca 0.00 -0.17 0.08 0.00 -1.18 0.00 0.00 61.69 60.42 1i16 s THR 29 Cb 0.00 -0.19 -0.04 0.00 1.34 0.00 0.00 72.50 73.61 1i16 s THR 29 CO 0.00 0.02 0.00 -0.69 -0.54 0.00 0.00 174.62 173.41 1i16 s VAL 30 N -0.16 3.65 -0.30 2.29 1.01 -1.26 0.54 120.40 126.17 1i16 s VAL 30 Ca -0.00 -1.57 -0.02 0.00 0.00 0.00 0.00 61.98 60.39 1i16 s VAL 30 Cb -0.02 -2.87 0.12 0.00 0.00 0.00 0.00 36.38 33.61 1i16 s VAL 30 CO -0.00 -0.20 0.22 0.00 0.00 0.00 0.00 175.10 175.12 1i16 s THR 32 N 2.05 5.02 0.10 0.00 2.01 -1.26 -3.42 115.64 120.14 1i16 s THR 32 Ca 0.11 1.32 -0.06 0.00 0.31 0.00 0.00 61.69 63.37 1i16 s THR 32 Cb -0.16 -4.00 -0.02 0.00 0.01 0.00 0.00 72.50 68.34 1i16 s THR 32 CO -0.29 0.15 0.14 0.68 -0.69 0.00 0.00 174.62 174.61 1i16 s VAL 33 N 1.54 0.14 -0.11 3.82 -7.23 -0.41 -4.96 120.40 113.18 1i16 s VAL 33 Ca 0.33 -1.46 0.01 0.00 -1.81 0.00 0.00 61.98 59.04 1i16 s VAL 33 Cb -0.16 -1.59 -0.02 0.00 0.56 0.00 0.00 36.38 35.17 1i16 s VAL 33 CO 0.13 -0.62 -0.15 0.42 -0.31 0.00 0.00 175.10 174.57 1i16 s THR 34 N -3.92 2.93 -0.87 5.32 -4.23 -1.26 0.26 115.64 113.87 1i16 s THR 34 Ca 0.11 -0.72 0.01 0.00 -1.18 0.00 0.00 61.69 59.90 1i16 s THR 34 Cb 0.06 -2.20 0.31 0.00 1.34 0.00 0.00 72.50 72.01 1i16 s THR 34 CO -0.07 0.54 1.39 0.18 -0.54 0.00 0.00 174.62 176.13 1i16 n LEU 35 N 3.27 5.98 0.00 4.79 4.77 0.51 -4.55 117.00 131.77 1i16 n LEU 35 Ca -0.18 -5.44 0.00 0.00 -0.03 0.00 0.00 56.01 50.36 1i16 n LEU 35 Cb 0.53 -0.97 0.00 0.00 -2.33 0.00 0.00 43.42 40.65 1i16 n LEU 35 CO 0.29 2.06 0.00 -1.84 -1.33 0.00 0.00 177.39 176.58 1i16 n GLU 36 N 0.27 0.00 -3.14 3.23 0.28 -1.26 -4.27 120.64 115.76 1i16 n GLU 36 Ca 0.36 0.00 -0.45 0.00 -0.16 0.00 0.00 57.16 56.91 1i16 n GLU 36 Cb 0.33 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.17 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 3.46 0.00 3.44 2.20 0.57 -4.58 119.74 124.82 1i16 s LYS 37 Ca 0.00 -1.94 0.00 0.00 -0.36 0.00 0.00 55.97 53.67 1i16 s LYS 37 Cb 0.00 -4.55 0.00 0.00 -1.51 0.00 0.00 37.83 31.77 1i16 s LYS 37 CO 0.00 -1.52 0.76 0.00 -0.36 0.00 0.00 175.35 174.23 1i16 n MET 38 N 5.43 1.58 0.00 4.03 0.00 -1.26 -0.76 117.12 126.14 1i16 n MET 38 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 57.70 56.77 1i16 n MET 38 Cb 0.46 -0.84 0.00 0.00 0.00 0.00 0.00 33.22 32.84 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 -0.28 0.00 0.00 3.17 2.88 -1.26 -5.06 113.62 113.07 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 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 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 -4.94 120.51 112.85 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 0.50 4.06 0.00 0.00 -1.26 -4.65 105.19 103.83 1i16 n GLY 41 Ca 0.00 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.76 -1.15 0.99 4.77 -1.26 -3.50 117.00 117.60 1i16 n LEU 42 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 1i16 n LEU 42 Cb 0.00 -1.21 -0.03 0.00 -2.33 0.00 0.00 43.42 39.85 1i16 n LEU 42 CO 0.00 -0.38 -0.06 0.61 -1.33 0.00 0.00 177.39 176.23 1i16 n GLY 43 N -2.00 0.58 3.02 -0.72 0.00 -1.26 -4.80 105.19 100.02 1i16 n GLY 43 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.50 0.05 0.10 1.61 -0.12 -1.23 0.29 117.98 117.18 1i16 s PHE 44 Ca 0.00 -0.11 0.07 0.00 -0.05 0.00 0.00 56.93 56.84 1i16 s PHE 44 Cb 0.00 -0.06 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1i16 s PHE 44 CO 0.00 -0.18 -0.09 0.45 -0.05 0.00 0.00 175.22 175.35 1i16 s SER 45 N -0.91 4.48 -0.05 1.98 0.15 -0.55 -5.00 113.70 113.80 1i16 s SER 45 Ca -0.10 -0.35 -0.03 0.00 0.70 0.00 0.00 55.95 56.17 1i16 s SER 45 Cb -0.06 -0.89 -0.04 0.00 -1.71 0.00 0.00 66.02 63.32 1i16 s SER 45 CO 0.00 0.18 0.11 -0.76 1.20 0.00 0.00 173.24 173.98 1i16 s LEU 46 N -2.19 4.12 0.08 3.45 1.02 -1.26 -2.37 118.68 121.52 1i16 s LEU 46 Ca 0.22 0.29 0.03 0.00 0.02 0.00 0.00 54.13 54.69 1i16 s LEU 46 Cb -0.11 -2.24 -0.03 0.00 0.02 0.00 0.00 46.19 43.83 1i16 s LEU 46 CO 0.14 0.32 -0.10 -1.61 0.02 0.00 0.00 176.35 175.12 1i16 s GLU 47 N -1.47 0.76 0.00 1.70 8.01 0.42 -4.83 118.70 123.29 1i16 s GLU 47 Ca 0.20 -1.03 0.00 0.00 0.01 0.00 0.00 54.97 54.16 1i16 s GLU 47 Cb -0.12 -0.51 0.00 0.00 -4.31 0.00 0.00 34.13 29.19 1i16 s GLU 47 CO 0.11 0.09 0.00 0.41 0.01 0.00 0.00 175.26 175.87 1i16 n GLY 48 N 0.89 0.60 0.00 -1.39 0.00 -1.26 0.26 105.19 104.29 1i16 n GLY 48 Ca -0.19 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 3.62 2.17 -0.02 0.00 -1.24 -4.77 105.19 104.95 1i16 n GLY 49 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 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 2.28 0.00 1.61 2.85 -1.26 -0.41 118.16 123.23 1i16 n LYS 50 Ca 0.00 -1.27 0.00 0.00 -1.05 0.00 0.00 58.31 55.99 1i16 n LYS 50 Cb 0.00 -2.20 0.00 0.00 -0.65 0.00 0.00 35.03 32.18 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 2.93 0.22 3.62 2.58 0.00 0.40 -4.48 105.19 110.45 1i16 n GLY 51 Ca 0.49 0.64 -0.11 0.00 0.00 0.00 0.00 46.02 47.03 1i16 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1i16 s SER 52 N -4.00 -0.54 0.00 1.61 0.01 -1.26 -0.40 113.70 109.13 1i16 s SER 52 Ca 0.00 0.94 0.00 0.00 1.31 0.00 0.00 55.95 58.20 1i16 s SER 52 Cb 0.00 0.93 0.00 0.00 0.21 0.00 0.00 66.02 67.16 1i16 s SER 52 CO 0.00 -0.24 0.00 0.18 0.41 0.00 0.00 173.24 173.59 1i16 n LEU 53 N 2.03 0.00 -1.05 2.44 4.77 -1.26 -4.98 117.00 118.95 1i16 n LEU 53 Ca -0.13 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.83 1i16 n LEU 53 Cb 0.56 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.62 1i16 n LEU 53 CO 0.06 0.00 0.24 1.57 -1.33 0.00 0.00 177.39 177.93 1i16 n HIS 54 N -0.85 0.00 0.00 -1.77 -0.00 -1.26 -5.07 115.22 106.27 1i16 n HIS 54 Ca 0.00 -0.39 0.00 0.00 -0.00 0.00 0.00 57.72 57.33 1i16 n HIS 54 Cb 0.00 0.22 0.00 0.00 -0.00 0.00 0.00 29.99 30.21 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1i16 n GLY 55 N 0.15 -1.65 0.00 1.57 0.00 -1.26 -5.12 105.19 98.88 1i16 n GLY 55 Ca -0.12 0.75 0.00 0.00 0.00 0.00 0.00 46.02 46.65 1i16 n GLY 55 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1i16 n ASP 56 N 0.00 0.00 -3.71 1.61 2.03 -1.26 -5.05 116.55 110.17 1i16 n ASP 56 Ca 0.00 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.02 1i16 n ASP 56 Cb 0.00 0.00 -0.12 0.00 -0.72 0.00 0.00 41.12 40.28 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 1i16 s LYS 57 N 0.00 1.54 -0.90 -0.67 0.00 0.46 -4.87 119.74 115.30 1i16 s LYS 57 Ca 0.00 -2.38 -0.24 0.00 0.00 0.00 0.00 55.97 53.36 1i16 s LYS 57 Cb 0.00 -2.48 0.06 0.00 0.00 0.00 0.00 37.83 35.41 1i16 s LYS 57 CO 0.00 -1.23 1.31 -1.25 0.00 0.00 0.00 175.35 174.18 1i16 s PRO 58 N -0.17 3.43 -0.35 1.78 0.04 -1.20 -0.46 135.00 138.08 1i16 s PRO 58 Ca 0.22 -0.93 -0.35 0.00 0.04 0.00 0.00 61.00 59.98 1i16 s PRO 58 Cb -0.14 -4.86 -0.11 0.00 0.04 0.00 0.00 34.50 29.42 1i16 s PRO 58 CO -0.07 -2.10 2.19 1.28 0.04 0.00 0.00 177.00 178.34 1i16 n LEU 59 N 8.61 2.13 -4.27 -3.56 4.32 -1.24 -4.48 117.00 118.51 1i16 n LEU 59 Ca 0.20 0.41 -0.21 0.00 -0.02 0.00 0.00 56.01 56.39 1i16 n LEU 59 Cb 0.50 -1.26 -0.12 0.00 -1.62 0.00 0.00 43.42 40.92 1i16 n LEU 59 CO 0.65 -0.73 -0.49 0.42 -1.22 0.00 0.00 177.39 176.03 1i16 s THR 60 N 7.31 1.55 -0.25 -5.08 -4.23 0.72 -2.45 115.64 113.21 1i16 s THR 60 Ca 1.10 -1.61 -0.29 0.00 -1.18 0.00 0.00 61.69 59.70 1i16 s THR 60 Cb -0.86 -1.52 -0.02 0.00 1.34 0.00 0.00 72.50 71.44 1i16 s THR 60 CO 0.49 -0.22 1.53 -0.63 -0.54 0.00 0.00 174.62 175.26 1i16 s ILE 61 N -1.56 3.81 -0.14 2.99 1.01 -1.18 0.16 121.20 126.28 1i16 s ILE 61 Ca 0.07 0.90 0.17 0.00 0.00 0.00 0.00 60.65 61.80 1i16 s ILE 61 Cb -0.08 -3.84 -0.24 0.00 0.01 0.00 0.00 42.46 38.31 1i16 s ILE 61 CO 0.04 -0.36 0.15 0.59 0.00 0.00 0.00 174.94 175.36 1i16 n ASN 62 N 8.32 0.52 -3.83 3.58 4.13 -1.00 -0.72 115.26 126.25 1i16 n ASN 62 Ca 0.18 0.00 -0.30 0.00 1.68 0.00 0.00 54.58 56.14 1i16 n ASN 62 Cb 0.46 1.17 -0.15 0.00 -1.54 0.00 0.00 39.78 39.71 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 1i16 s ARG 63 N -2.65 1.06 -0.02 3.52 0.52 -1.25 -4.92 118.95 115.20 1i16 s ARG 63 Ca -0.09 -1.06 0.00 0.00 -0.52 0.00 0.00 55.73 54.07 1i16 s ARG 63 Cb 0.07 -2.35 -0.04 0.00 0.52 0.00 0.00 34.95 33.16 1i16 s ARG 63 CO 0.76 -0.82 0.02 0.42 0.02 0.00 0.00 175.30 175.71 1i16 s ILE 64 N 1.49 4.37 0.41 1.52 1.01 -1.26 -1.48 121.20 127.26 1i16 s ILE 64 Ca 0.04 -0.46 0.07 0.00 0.00 0.00 0.00 60.65 60.30 1i16 s ILE 64 Cb -0.18 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.31 1i16 s ILE 64 CO -0.15 0.42 0.23 -0.36 0.00 0.00 0.00 174.94 175.09 1i16 s PHE 65 N -1.07 2.63 -0.44 3.97 0.08 0.84 -4.96 117.98 119.04 1i16 s PHE 65 Ca 0.19 -0.56 -0.08 0.00 0.12 0.00 0.00 56.93 56.60 1i16 s PHE 65 Cb -0.12 -2.01 0.10 0.00 -0.57 0.00 0.00 43.02 40.42 1i16 s PHE 65 CO 0.09 0.11 0.28 0.21 -0.10 0.00 0.00 175.22 175.81 1i16 s LYS 66 N -3.96 2.43 0.00 0.44 2.20 -1.26 -4.83 119.74 114.76 1i16 s LYS 66 Ca 0.43 -1.66 0.00 0.00 -0.36 0.00 0.00 55.97 54.38 1i16 s LYS 66 Cb 0.02 -3.79 0.00 0.00 -1.51 0.00 0.00 37.83 32.55 1i16 s LYS 66 CO 0.24 -1.08 0.00 0.41 -0.36 0.00 0.00 175.35 174.56 1i16 n GLY 67 N 4.84 2.04 1.47 5.54 0.00 -1.26 -5.13 105.19 112.70 1i16 n GLY 67 Ca -0.08 0.07 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 -0.24 -2.48 -3.92 4.61 0.00 -1.26 -4.52 120.51 112.70 1i16 n ALA 68 Ca 0.00 0.26 0.13 0.00 0.00 0.00 0.00 53.44 53.83 1i16 n ALA 68 Cb 0.00 -0.95 0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 1.02 -3.10 -2.71 0.00 0.00 -1.26 -4.86 120.51 109.61 1i16 n ALA 69 Ca 0.00 -0.86 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1i16 n ALA 69 Cb 0.00 0.31 0.00 0.00 0.00 0.00 0.00 19.45 19.76 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 -1.13 1.28 -2.34 0.00 2.88 -1.26 -4.79 113.62 108.26 1i16 n SER 70 Ca 0.02 -0.07 -0.25 0.00 -1.33 0.00 0.00 58.87 57.24 1i16 n SER 70 Cb 0.56 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 63.99 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 -0.03 2.27 -5.14 -1.46 1.02 -1.26 -4.89 120.64 111.15 1i16 n GLU 71 Ca 0.00 -2.22 -0.32 0.00 -0.02 0.00 0.00 57.16 54.60 1i16 n GLU 71 Cb 0.00 -2.02 -0.16 0.00 -0.02 0.00 0.00 31.44 29.24 1i16 n GLU 71 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1i16 s GLN 72 N -1.92 2.88 0.32 3.49 0.74 -1.26 -5.00 119.66 118.92 1i16 s GLN 72 Ca 0.52 -0.85 0.11 0.00 0.05 0.00 0.00 55.36 55.19 1i16 s GLN 72 Cb 0.35 -2.31 1.02 0.00 1.10 0.00 0.00 33.01 33.17 1i16 s GLN 72 CO -0.16 0.29 1.49 -1.13 -0.55 0.00 0.00 175.29 175.23 1i16 n SER 73 N 3.23 0.12 -3.41 6.67 3.41 -1.26 -3.76 113.62 118.62 1i16 n SER 73 Ca -0.18 1.59 -0.18 0.00 -0.26 0.00 0.00 58.87 59.84 1i16 n SER 73 Cb 0.52 -0.68 -0.10 0.00 -0.26 0.00 0.00 64.21 63.69 1i16 n SER 73 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 1i16 s GLU 74 N -5.68 0.30 -0.16 4.33 2.02 -1.26 -4.99 118.70 113.28 1i16 s GLU 74 Ca -0.10 -0.11 0.05 0.00 0.02 0.00 0.00 54.97 54.82 1i16 s GLU 74 Cb 0.30 -0.73 0.38 0.00 0.10 0.00 0.00 34.13 34.19 1i16 s GLU 74 CO 0.74 -0.99 1.24 0.25 0.02 0.00 0.00 175.26 176.53 1i16 n THR 75 N 5.31 1.64 -4.48 3.63 -2.24 -1.25 -4.86 114.28 112.03 1i16 n THR 75 Ca -0.03 -0.79 -0.24 0.00 -2.27 0.00 0.00 64.05 60.72 1i16 n THR 75 Cb 0.46 -0.51 -0.08 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 -1.79 0.61 -0.27 2.28 -7.23 -1.26 -4.81 120.40 107.93 1i16 s VAL 76 Ca 0.28 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.44 1i16 s VAL 76 Cb 0.22 -2.42 0.14 0.00 0.56 0.00 0.00 36.38 34.88 1i16 s VAL 76 CO 0.07 0.00 0.33 -1.10 -0.31 0.00 0.00 175.10 174.09 1i16 s GLN 77 N -3.73 0.33 -0.11 4.82 -1.52 -1.26 -5.10 119.66 113.09 1i16 s GLN 77 Ca 0.27 0.12 -0.30 0.00 -1.95 0.00 0.00 55.36 53.51 1i16 s GLN 77 Cb 0.03 -0.60 -0.02 0.00 -0.22 0.00 0.00 33.01 32.21 1i16 s GLN 77 CO 0.15 -0.90 1.17 -1.25 -0.25 0.00 0.00 175.29 174.21 1i16 s PRO 78 N 2.44 4.32 -1.54 2.91 0.04 -1.26 -3.19 135.00 138.73 1i16 s PRO 78 Ca 0.10 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.73 1i16 s PRO 78 Cb -0.14 -3.62 0.00 0.00 0.04 0.00 0.00 34.50 30.78 1i16 s PRO 78 CO -0.26 -0.51 0.00 0.41 0.04 0.00 0.00 177.00 176.68 1i16 n GLY 79 N 3.38 0.94 3.91 0.56 0.00 0.10 -4.96 105.19 109.11 1i16 n GLY 79 Ca 0.11 -0.27 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.65 6.41 -0.79 1.61 1.01 -1.19 -4.85 116.67 116.22 1i16 s ASP 80 Ca 0.00 0.68 -0.18 0.00 0.71 0.00 0.00 52.55 53.76 1i16 s ASP 80 Cb 0.00 -2.13 0.14 0.00 1.01 0.00 0.00 42.92 41.94 1i16 s ASP 80 CO 0.00 -0.23 0.92 -0.70 0.21 0.00 0.00 175.17 175.37 1i16 s GLU 81 N -3.73 3.40 -0.12 8.23 2.56 -1.26 -3.07 118.70 124.70 1i16 s GLU 81 Ca 0.43 -1.69 -0.25 0.00 0.00 0.00 0.00 54.97 53.46 1i16 s GLU 81 Cb -0.10 -4.57 -0.02 0.00 2.00 0.00 0.00 34.13 31.43 1i16 s GLU 81 CO 0.32 -1.61 0.79 0.42 -0.56 0.00 0.00 175.26 174.61 1i16 s ILE 82 N 2.30 4.95 -0.04 -3.70 1.01 -1.02 -2.51 121.20 122.18 1i16 s ILE 82 Ca 0.23 1.58 -0.17 0.00 0.00 0.00 0.00 60.65 62.29 1i16 s ILE 82 Cb -0.12 -4.11 -0.32 0.00 0.01 0.00 0.00 42.46 37.92 1i16 s ILE 82 CO -0.03 0.12 0.80 -0.07 0.00 0.00 0.00 174.94 175.76 1i16 h LEU 83 N 7.64 0.59 -7.70 2.97 3.38 -1.51 -3.44 115.31 117.25 1i16 h LEU 83 Ca -0.34 -0.92 -0.10 0.00 0.09 0.00 0.00 57.88 56.61 1i16 h LEU 83 Cb 1.16 -0.19 -0.16 0.00 0.09 0.00 0.00 40.66 41.56 1i16 h LEU 83 CO 0.80 1.61 -0.34 0.00 0.09 0.00 0.00 178.44 180.60 1i16 s GLN 84 N -2.52 0.77 0.48 1.13 0.00 -1.26 0.64 119.66 118.90 1i16 s GLN 84 Ca -0.14 -0.68 0.04 0.00 -0.00 0.00 0.00 55.36 54.58 1i16 s GLN 84 Cb 0.03 0.32 0.04 0.00 0.00 0.00 0.00 33.01 33.41 1i16 s GLN 84 CO 0.85 -0.24 0.33 1.28 0.00 0.00 0.00 175.29 177.52 1i16 n LEU 85 N 0.45 0.00 0.22 2.60 4.32 0.40 -3.34 117.00 121.66 1i16 n LEU 85 Ca -0.18 -2.51 0.09 0.00 -0.02 0.00 0.00 56.01 53.39 1i16 n LEU 85 Cb 0.60 -0.01 0.48 0.00 -1.62 0.00 0.00 43.42 42.86 1i16 n LEU 85 CO 0.22 -0.53 0.91 1.23 -1.22 0.00 0.00 177.39 177.99 1i16 h GLY 86 N 0.60 0.00 -5.00 -0.72 0.00 -0.73 -3.05 103.07 94.18 1i16 h GLY 86 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 46.79 1i16 h GLY 86 CO 0.48 0.00 -0.42 0.61 0.00 0.00 0.00 176.54 177.21 1i16 n GLY 87 N -1.27 1.37 3.65 4.60 0.00 -1.26 -4.68 105.19 107.59 1i16 n GLY 87 Ca -0.01 -0.23 -0.04 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.11 0.00 -0.15 2.61 -1.32 -1.15 -4.08 115.64 111.43 1i16 s THR 88 Ca 0.22 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.71 1i16 s THR 88 Cb 0.41 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.42 1i16 s THR 88 CO -0.08 0.00 -0.15 0.00 -2.21 0.00 0.00 174.62 172.18 1i16 s ALA 89 N -0.08 1.94 0.02 11.08 0.00 -1.26 0.15 121.76 133.61 1i16 s ALA 89 Ca 0.07 -0.96 -0.18 0.00 0.00 0.00 0.00 51.96 50.90 1i16 s ALA 89 Cb -0.04 -1.08 -0.10 0.00 0.00 0.00 0.00 23.12 21.90 1i16 s ALA 89 CO -0.14 -0.38 1.17 0.52 0.00 0.00 0.00 175.76 176.93 1i16 h MET 90 N 8.03 -0.61 -1.18 0.00 2.86 -0.10 -2.86 114.93 121.08 1i16 h MET 90 Ca -0.40 0.04 0.34 0.00 -2.06 0.00 0.00 59.70 57.63 1i16 h MET 90 Cb 1.14 0.14 -0.05 0.00 0.06 0.00 0.00 31.60 32.89 1i16 h MET 90 CO 0.55 -0.41 1.15 1.04 1.06 0.00 0.00 176.91 180.30 1i16 n GLN 91 N -3.83 0.01 -2.09 1.72 3.00 -1.25 0.22 117.38 115.16 1i16 n GLN 91 Ca -0.08 0.93 -0.30 0.00 -0.01 0.00 0.00 57.00 57.54 1i16 n GLN 91 Cb 0.25 -2.27 0.02 0.00 0.00 0.00 0.00 30.24 28.25 1i16 n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i16 n GLY 92 N -1.68 5.99 0.29 1.08 0.00 -1.08 -4.87 105.19 104.91 1i16 n GLY 92 Ca 0.27 -2.62 -0.00 0.00 0.00 0.00 0.00 46.02 43.66 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 -0.61 0.00 -4.45 0.99 4.77 0.60 -4.87 117.00 113.43 1i16 n LEU 93 Ca 0.47 -0.09 -0.29 0.00 -0.03 0.00 0.00 56.01 56.07 1i16 n LEU 93 Cb 0.64 0.19 -0.12 0.00 -2.33 0.00 0.00 43.42 41.81 1i16 n LEU 93 CO 0.45 -0.03 -0.52 0.42 -1.33 0.00 0.00 177.39 176.38 1i16 s THR 94 N -2.43 2.61 0.18 -5.08 -4.23 -1.26 -4.41 115.64 101.02 1i16 s THR 94 Ca 0.02 -1.62 -0.26 0.00 -1.18 0.00 0.00 61.69 58.65 1i16 s THR 94 Cb -0.00 -2.19 0.04 0.00 1.34 0.00 0.00 72.50 71.69 1i16 s THR 94 CO 0.00 0.09 1.55 -0.09 -0.54 0.00 0.00 174.62 175.63 1i16 h ARG 95 N 3.77 -0.10 0.80 3.99 1.12 -1.04 1.93 114.38 124.86 1i16 h ARG 95 Ca -0.50 0.01 -0.04 0.00 -1.11 0.00 0.00 59.98 58.34 1i16 h ARG 95 Cb 1.17 0.02 0.01 0.00 -0.01 0.00 0.00 29.97 31.16 1i16 h ARG 95 CO 0.43 -0.07 -0.38 0.35 -3.11 0.00 0.00 179.97 177.19 1i16 h PHE 96 N -0.11 -1.00 -1.00 2.20 3.57 -1.91 -2.05 116.94 116.66 1i16 h PHE 96 Ca 0.21 -0.02 0.23 0.00 3.53 0.00 0.00 57.97 61.91 1i16 h PHE 96 Cb 0.52 0.33 -0.12 0.00 2.79 0.00 0.00 35.95 39.47 1i16 h PHE 96 CO -0.86 -0.62 0.59 0.93 -2.23 0.00 0.00 178.31 176.11 1i16 h GLU 97 N -1.27 0.61 0.00 1.11 4.39 -1.82 -1.91 114.58 115.69 1i16 h GLU 97 Ca -0.11 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1i16 h GLU 97 Cb 0.82 -0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.34 1i16 h GLU 97 CO 0.18 0.40 0.00 0.00 -1.16 0.00 0.00 179.01 178.43 1i16 n ALA 98 N -2.33 -0.38 0.21 3.43 0.00 0.65 -1.67 120.51 120.42 1i16 n ALA 98 Ca 0.25 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.78 1i16 n ALA 98 Cb 0.68 0.12 0.45 0.00 0.00 0.00 0.00 19.45 20.71 1i16 n ALA 98 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.50 179.85 1i16 h TRP 99 N 0.00 0.00 0.06 0.00 -0.00 -0.91 -1.86 115.95 113.25 1i16 h TRP 99 Ca 0.00 0.00 -0.14 0.00 -0.00 0.00 0.00 58.89 58.75 1i16 h TRP 99 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 29.16 29.16 1i16 h TRP 99 CO -0.05 0.00 -0.71 -0.91 -0.00 0.00 0.00 178.44 176.78 1i16 h ASN 100 N 0.00 0.21 -0.86 2.65 2.35 -0.54 -3.29 115.58 116.10 1i16 h ASN 100 Ca 0.00 -0.88 0.11 0.00 -0.55 0.00 0.00 56.30 54.98 1i16 h ASN 100 Cb 0.64 -0.07 -0.08 0.00 0.05 0.00 0.00 38.32 38.87 1i16 h ASN 100 CO 0.00 1.31 0.50 0.40 -1.65 0.00 0.00 177.43 177.99 1i16 h ILE 101 N -0.69 0.88 0.24 2.81 5.03 -0.57 -2.66 117.51 122.56 1i16 h ILE 101 Ca -0.16 -0.28 -0.00 0.00 -0.12 0.00 0.00 64.86 64.31 1i16 h ILE 101 Cb 1.38 0.01 -0.02 0.00 -3.03 0.00 0.00 36.82 35.16 1i16 h ILE 101 CO 0.02 0.15 -0.33 0.40 -0.68 0.00 0.00 178.15 177.71 1i16 h ILE 102 N 0.80 0.00 -1.44 -0.67 5.03 -1.68 -0.81 117.51 118.75 1i16 h ILE 102 Ca 0.43 0.00 0.46 0.00 -0.12 0.00 0.00 64.86 65.63 1i16 h ILE 102 Cb 0.43 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 34.10 1i16 h ILE 102 CO -0.27 0.00 0.95 0.11 -0.68 0.00 0.00 178.15 178.26 1i16 h LYS 103 N -0.60 0.05 0.00 2.37 1.57 -1.55 2.08 116.57 120.50 1i16 h LYS 103 Ca -0.03 -0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1i16 h LYS 103 Cb 0.54 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.84 1i16 h LYS 103 CO -0.09 0.03 -0.00 0.00 -0.57 0.00 0.00 179.45 178.82 1i16 h ALA 104 N 1.50 1.00 -1.76 3.86 0.00 -0.96 -3.46 119.26 119.45 1i16 h ALA 104 Ca 0.84 -0.00 -0.35 0.00 0.00 0.00 0.00 54.91 55.41 1i16 h ALA 104 Cb 2.81 -0.00 0.19 0.00 0.00 0.00 0.00 17.79 20.80 1i16 h ALA 104 CO -0.35 0.00 -0.38 1.28 0.00 0.00 0.00 179.25 179.80 1i16 n LEU 105 N -3.10 -1.33 0.00 0.00 7.99 0.70 -5.00 117.00 116.27 1i16 n LEU 105 Ca 0.03 -0.46 -0.29 0.00 -0.01 0.00 0.00 56.01 55.28 1i16 n LEU 105 Cb 0.45 -0.95 0.20 0.00 -0.11 0.00 0.00 43.42 43.00 1i16 n LEU 105 CO 0.32 -3.66 0.85 -0.81 -1.51 0.00 0.00 177.39 172.57 1i16 n PRO 106 N -3.59 -1.14 -3.22 3.23 -0.04 -1.26 -5.01 135.00 123.97 1i16 n PRO 106 Ca 0.07 -2.20 -0.45 0.00 -0.04 0.00 0.00 63.50 60.87 1i16 n PRO 106 Cb 0.51 -1.28 -0.05 0.00 -0.04 0.00 0.00 33.50 32.65 1i16 n PRO 106 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i16 s ASP 107 N -5.83 6.23 0.00 3.54 1.11 -1.26 -4.90 116.67 115.56 1i16 s ASP 107 Ca 0.75 -1.70 0.00 0.00 0.18 0.00 0.00 52.55 51.78 1i16 s ASP 107 Cb -0.02 -2.25 0.00 0.00 1.07 0.00 0.00 42.92 41.71 1i16 s ASP 107 CO 0.52 -0.95 0.00 0.61 1.18 0.00 0.00 175.17 176.53 1i16 n GLY 108 N 5.19 2.86 3.55 0.21 0.00 0.06 -4.77 105.19 112.30 1i16 n GLY 108 Ca -0.10 -0.30 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 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 3.01 2.95 -0.42 1.61 0.04 -1.26 0.21 135.00 141.13 1i16 s PRO 109 Ca 0.00 0.10 -0.24 0.00 0.04 0.00 0.00 61.00 60.90 1i16 s PRO 109 Cb 0.00 -4.30 0.02 0.00 0.04 0.00 0.00 34.50 30.26 1i16 s PRO 109 CO 0.00 -2.42 0.82 0.54 0.04 0.00 0.00 177.00 175.98 1i16 s VAL 110 N 7.21 4.64 -0.16 -0.36 0.11 -1.26 -4.80 120.40 125.77 1i16 s VAL 110 Ca 0.49 0.68 -0.21 0.00 -2.93 0.00 0.00 61.98 60.01 1i16 s VAL 110 Cb -0.10 -4.31 -0.03 0.00 -1.53 0.00 0.00 36.38 30.41 1i16 s VAL 110 CO 0.17 -0.64 0.64 -0.89 -3.33 0.00 0.00 175.10 171.05 1i16 s THR 111 N 3.34 5.03 0.16 5.04 2.01 -1.26 0.19 115.64 130.15 1i16 s THR 111 Ca 0.32 1.25 0.05 0.00 0.31 0.00 0.00 61.69 63.62 1i16 s THR 111 Cb -0.12 -3.97 -0.04 0.00 0.01 0.00 0.00 72.50 68.39 1i16 s THR 111 CO 0.21 0.16 0.10 0.27 -0.69 0.00 0.00 174.62 174.67 1i16 s ILE 112 N 1.55 4.30 -0.25 1.82 -4.36 0.74 -0.07 121.20 124.93 1i16 s ILE 112 Ca 0.31 -1.13 -0.02 0.00 -0.26 0.00 0.00 60.65 59.55 1i16 s ILE 112 Cb -0.16 -3.17 0.13 0.00 1.25 0.00 0.00 42.46 40.51 1i16 s ILE 112 CO 0.12 -0.08 0.35 -0.69 0.24 0.00 0.00 174.94 174.88 1i16 s VAL 113 N -1.70 -0.54 0.51 8.37 1.01 -1.21 -1.29 120.40 125.54 1i16 s VAL 113 Ca 0.30 -0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.12 1i16 s VAL 113 Cb -0.10 -0.84 -0.00 0.00 0.00 0.00 0.00 36.38 35.44 1i16 s VAL 113 CO 0.22 -0.20 0.01 2.30 0.00 0.00 0.00 175.10 177.43 1i16 n ILE 114 N 5.35 0.00 -3.34 2.22 -0.00 -1.22 -1.33 119.36 121.04 1i16 n ILE 114 Ca -0.03 -2.43 -0.11 0.00 -0.00 0.00 0.00 62.75 60.19 1i16 n ILE 114 Cb 0.49 0.50 -0.07 0.00 -0.00 0.00 0.00 39.64 40.57 1i16 n ILE 114 CO 0.00 0.00 0.00 -0.60 -0.00 0.00 0.00 176.55 175.95 1i16 s ARG 115 N -3.84 0.38 0.19 6.28 3.00 -1.04 -2.33 118.95 121.58 1i16 s ARG 115 Ca 0.01 0.18 -0.15 0.00 -1.00 0.00 0.00 55.73 54.77 1i16 s ARG 115 Cb 0.00 -0.43 -0.07 0.00 0.00 0.00 0.00 34.95 34.45 1i16 s ARG 115 CO 0.01 -0.93 0.60 0.50 0.00 0.00 0.00 175.30 175.47 1i16 s ARG 116 N 2.51 4.01 -0.39 5.12 3.00 0.19 -4.33 118.95 129.06 1i16 s ARG 116 Ca 0.10 0.56 -0.25 0.00 -1.00 0.00 0.00 55.73 55.13 1i16 s ARG 116 Cb -0.13 -2.84 0.02 0.00 0.00 0.00 0.00 34.95 31.99 1i16 s ARG 116 CO -0.27 0.41 0.91 0.15 0.00 0.00 0.00 175.30 176.51 1i16 s LYS 117 N -2.16 3.77 -0.13 5.12 1.02 -1.26 -0.02 119.74 126.08 1i16 s LYS 117 Ca 0.41 0.46 -0.09 0.00 0.02 0.00 0.00 55.97 56.78 1i16 s LYS 117 Cb -0.14 -3.83 0.03 0.00 -0.52 0.00 0.00 37.83 33.37 1i16 s LYS 117 CO 0.20 -1.00 0.17 0.45 -0.92 0.00 0.00 175.35 174.25 1i16 n SER 118 N 6.83 -1.65 0.00 2.83 2.88 -1.26 -4.93 113.62 118.31 1i16 n SER 118 Ca 0.07 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1i16 n SER 118 Cb 0.48 -4.39 0.00 0.00 -0.75 0.00 0.00 64.21 59.55 1i16 n SER 118 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 1i16 n LEU 119 N 1.37 0.00 0.00 2.46 0.00 -1.26 -4.98 117.00 114.59 1i16 n LEU 119 Ca -0.30 0.00 -0.07 0.00 0.00 0.00 0.00 56.01 55.64 1i16 n LEU 119 Cb 0.46 0.00 0.07 0.00 0.00 0.00 0.00 43.42 43.95 1i16 n LEU 119 CO 0.28 0.00 0.08 0.00 0.00 0.00 0.00 177.39 177.75 1i16 n GLN 120 N 0.00 -2.41 0.00 1.96 10.64 -1.26 -4.79 117.38 121.53 1i16 n GLN 120 Ca 0.00 -0.35 0.00 0.00 -1.83 0.00 0.00 57.00 54.82 1i16 n GLN 120 Cb 0.00 -0.47 0.00 0.00 -0.86 0.00 0.00 30.24 28.91 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 -1.83 0.00 0.00 177.06 175.66 1i16 n SER 121 N -3.41 0.00 -4.70 2.61 7.64 -1.26 -5.11 113.62 109.40 1i16 n SER 121 Ca 0.03 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.49 1i16 n SER 121 Cb 0.14 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.31 1i16 n SER 121 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 1i16 s LYS 122 N 0.00 4.32 -0.37 1.43 2.36 -1.26 -4.93 119.74 121.29 1i16 s LYS 122 Ca 0.00 1.93 -0.04 0.00 -2.55 0.00 0.00 55.97 55.31 1i16 s LYS 122 Cb 0.00 -3.48 0.20 0.00 -1.05 0.00 0.00 37.83 33.51 1i16 s LYS 122 CO 0.00 -0.49 1.01 -1.83 1.55 0.00 0.00 175.35 175.59 1i16 s GLU 123 N 1.94 0.37 0.09 4.03 -1.05 -1.26 -5.13 118.70 117.69 1i16 s GLU 123 Ca 0.62 -0.31 -0.31 0.00 -0.15 0.00 0.00 54.97 54.83 1i16 s GLU 123 Cb -0.31 -0.00 -0.06 0.00 -0.44 0.00 0.00 34.13 33.31 1i16 s GLU 123 CO 0.27 -0.47 1.22 0.95 0.95 0.00 0.00 175.26 178.18 1i16 s THR 124 N 1.21 3.84 0.01 1.83 -4.23 -1.26 -5.01 115.64 112.02 1i16 s THR 124 Ca 0.22 1.36 0.00 0.00 -1.18 0.00 0.00 61.69 62.10 1i16 s THR 124 Cb 0.08 -3.87 -0.00 0.00 1.34 0.00 0.00 72.50 70.05 1i16 s THR 124 CO -0.10 0.13 0.00 0.41 -0.54 0.00 0.00 174.62 174.52 1i16 n THR 125 N 3.63 0.00 0.04 3.99 -1.04 -1.26 -5.00 114.28 114.64 1i16 n THR 125 Ca 0.08 -0.05 -0.11 0.00 -2.04 0.00 0.00 64.05 61.93 1i16 n THR 125 Cb 0.45 0.02 -0.05 0.00 -1.82 0.00 0.00 70.33 68.94 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 h ALA 126 N 1.01 -0.39 -2.47 2.41 0.00 -2.06 -3.48 119.26 114.29 1i16 h ALA 126 Ca -0.01 -0.00 0.28 0.00 0.00 0.00 0.00 54.91 55.18 1i16 h ALA 126 Cb 0.02 0.53 -0.10 0.00 0.00 0.00 0.00 17.79 18.24 1i16 h ALA 126 CO 0.01 -0.79 -0.60 0.00 0.00 0.00 0.00 179.25 177.86 1i16 n ALA 127 N -2.75 -2.79 0.00 0.00 0.00 -1.26 -5.05 120.51 108.67 1i16 n ALA 127 Ca -0.04 0.48 0.00 0.00 0.00 0.00 0.00 53.44 53.87 1i16 n ALA 127 Cb 0.31 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.72 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 -3.74 -2.03 3.80 0.00 0.00 -1.26 -5.15 105.19 96.81 1i16 n GLY 128 Ca -0.02 0.67 -0.27 0.00 0.00 0.00 0.00 46.02 46.40 1i16 n GLY 128 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i16 s ASP 129 N -2.18 4.45 0.00 1.61 1.47 -1.26 -5.32 116.67 115.44 1i16 s ASP 129 Ca 0.00 -1.24 0.05 0.00 1.18 0.00 0.00 52.55 52.54 1i16 s ASP 129 Cb 0.00 0.00 0.04 0.00 -0.34 0.00 0.00 42.92 42.62 1i16 s ASP 129 CO 0.00 -0.79 0.66 -0.24 0.68 0.00 0.00 175.17 175.48