#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 -4.33 0.03 -0.04 -1.26 -4.95 135.00 124.45 1i16 n PRO 2 Ca 0.00 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.19 1i16 n PRO 2 Cb 0.00 -0.14 -0.17 0.00 -0.04 0.00 0.00 33.50 33.16 1i16 n PRO 2 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1i16 s ASP 3 N -1.09 2.14 -1.08 3.54 1.01 -1.26 -5.04 116.67 114.89 1i16 s ASP 3 Ca 0.00 -0.35 -0.25 0.00 0.71 0.00 0.00 52.55 52.66 1i16 s ASP 3 Cb 0.00 -0.93 -0.17 0.00 1.01 0.00 0.00 42.92 42.83 1i16 s ASP 3 CO 0.00 -0.02 2.00 -0.11 0.21 0.00 0.00 175.17 177.25 1i16 n LEU 4 N 4.29 2.28 0.00 1.23 -0.00 -1.26 -4.08 117.00 119.46 1i16 n LEU 4 Ca -0.19 -2.80 0.00 0.00 -0.00 0.00 0.00 56.01 53.02 1i16 n LEU 4 Cb 0.51 -1.66 0.00 0.00 -0.00 0.00 0.00 43.42 42.27 1i16 n LEU 4 CO 0.22 -2.58 0.00 0.59 -0.00 0.00 0.00 177.39 175.62 1i16 n ASN 5 N 16.35 0.00 -1.10 1.96 3.02 -1.26 -5.16 115.26 129.08 1i16 n ASN 5 Ca 0.44 0.00 0.11 0.00 -0.03 0.00 0.00 54.58 55.09 1i16 n ASN 5 Cb 0.46 0.13 -0.03 0.00 -0.61 0.00 0.00 39.78 39.74 1i16 n ASN 5 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1i16 n SER 6 N -2.25 -6.52 -0.26 6.41 7.64 -1.26 -3.92 113.62 113.47 1i16 n SER 6 Ca 0.00 0.87 -0.05 0.00 1.01 0.00 0.00 58.87 60.69 1i16 n SER 6 Cb 0.00 -2.43 0.05 0.00 -1.01 0.00 0.00 64.21 60.82 1i16 n SER 6 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 1i16 h SER 7 N -0.75 0.86 -6.11 6.43 0.87 -2.01 -3.47 113.55 109.37 1i16 h SER 7 Ca 0.02 -0.07 -0.25 0.00 -1.23 0.00 0.00 61.79 60.26 1i16 h SER 7 Cb 0.73 -0.22 0.01 0.00 -0.44 0.00 0.00 62.40 62.49 1i16 h SER 7 CO 0.01 0.68 -0.97 0.41 -0.53 0.00 0.00 176.83 176.42 1i16 n THR 8 N -4.53 -6.45 0.00 2.23 -1.04 -1.25 -4.23 114.28 99.01 1i16 n THR 8 Ca 0.06 0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 1i16 n THR 8 Cb 0.06 -4.87 0.00 0.00 -1.82 0.00 0.00 70.33 63.70 1i16 n THR 8 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1i16 n ASP 9 N -0.20 0.00 -1.37 8.00 2.03 -1.26 -4.95 116.55 118.80 1i16 n ASP 9 Ca -0.01 0.00 0.11 0.00 0.52 0.00 0.00 54.79 55.41 1i16 n ASP 9 Cb 0.60 0.00 -0.06 0.00 -0.72 0.00 0.00 41.12 40.94 1i16 n ASP 9 CO 0.00 0.00 0.00 -0.24 -1.92 0.00 0.00 177.20 175.04 1i16 n SER 10 N 8.20 -7.42 -1.88 1.67 2.88 -1.26 -4.66 113.62 111.15 1i16 n SER 10 Ca 0.00 1.47 -0.13 0.00 -1.33 0.00 0.00 58.87 58.88 1i16 n SER 10 Cb 0.00 -4.61 -0.03 0.00 -0.75 0.00 0.00 64.21 58.81 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 11 N -3.69 -0.47 -1.69 -1.46 0.00 -1.26 -4.92 120.51 107.02 1i16 n ALA 11 Ca -0.06 0.16 -0.15 0.00 0.00 0.00 0.00 53.44 53.39 1i16 n ALA 11 Cb 0.58 -1.49 0.14 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 n ALA 12 N -0.78 -1.03 -0.98 0.00 0.00 -1.26 -4.89 120.51 111.57 1i16 n ALA 12 Ca -0.14 -1.23 0.00 0.00 0.00 0.00 0.00 53.44 52.06 1i16 n ALA 12 Cb 0.52 -0.05 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1i16 n ALA 12 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 13 N -3.58 -4.25 -3.06 0.00 2.88 -1.26 -4.75 113.62 99.60 1i16 n SER 13 Ca 0.12 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.56 1i16 n SER 13 Cb 0.41 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 63.96 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 14 N 1.11 -1.67 -3.58 -1.46 0.00 -1.26 -5.07 120.51 108.59 1i16 n ALA 14 Ca 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 1i16 n ALA 14 Cb 0.00 -0.04 -0.02 0.00 0.00 0.00 0.00 19.45 19.39 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 -2.36 -0.20 0.44 0.00 0.01 -1.26 -5.03 113.70 105.30 1i16 s SER 15 Ca 0.22 -0.03 0.00 0.00 1.31 0.00 0.00 55.95 57.45 1i16 s SER 15 Cb -0.04 0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.43 1i16 s SER 15 CO 0.18 -0.39 0.00 0.00 0.41 0.00 0.00 173.24 173.44 1i16 n ALA 16 N -0.19 -3.56 -2.98 1.44 0.00 -1.26 -4.79 120.51 109.17 1i16 n ALA 16 Ca -0.03 0.64 -0.33 0.00 0.00 0.00 0.00 53.44 53.71 1i16 n ALA 16 Cb 0.60 -1.35 -0.13 0.00 0.00 0.00 0.00 19.45 18.57 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 -3.41 2.91 -0.08 0.00 0.00 -1.26 -5.02 121.76 114.91 1i16 s ALA 17 Ca 0.00 -0.83 -0.07 0.00 0.00 0.00 0.00 51.96 51.05 1i16 s ALA 17 Cb 0.00 -1.47 -0.02 0.00 0.00 0.00 0.00 23.12 21.62 1i16 s ALA 17 CO 0.00 0.23 -0.15 0.43 0.00 0.00 0.00 175.76 176.27 1i16 n SER 18 N 3.51 0.83 -1.20 0.00 7.64 -1.26 -5.11 113.62 118.03 1i16 n SER 18 Ca -0.18 0.16 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1i16 n SER 18 Cb 0.53 -0.61 0.00 0.00 -1.01 0.00 0.00 64.21 63.12 1i16 n SER 18 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1i16 n ASP 19 N -3.33 -6.75 -4.77 6.43 2.03 -1.26 -4.85 116.55 104.04 1i16 n ASP 19 Ca -0.06 0.89 -0.39 0.00 0.52 0.00 0.00 54.79 55.75 1i16 n ASP 19 Cb 0.22 -3.07 -0.02 0.00 -0.72 0.00 0.00 41.12 37.53 1i16 n ASP 19 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1i16 s VAL 20 N -2.20 3.01 0.12 5.18 -7.23 -1.26 -4.71 120.40 113.30 1i16 s VAL 20 Ca 0.00 0.92 0.00 0.00 -1.81 0.00 0.00 61.98 61.09 1i16 s VAL 20 Cb 0.00 -3.55 0.00 0.00 0.56 0.00 0.00 36.38 33.39 1i16 s VAL 20 CO 0.00 0.15 0.00 -0.24 -0.31 0.00 0.00 175.10 174.70 1i16 n SER 21 N 0.44 -3.43 -3.66 4.85 2.88 -1.26 -5.06 113.62 108.38 1i16 n SER 21 Ca 0.02 0.33 -0.07 0.00 -1.33 0.00 0.00 58.87 57.82 1i16 n SER 21 Cb 0.45 -0.51 -0.08 0.00 -0.75 0.00 0.00 64.21 63.31 1i16 n SER 21 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 1i16 s VAL 22 N -1.80 -0.71 0.15 2.46 -7.23 -1.26 -5.10 120.40 106.90 1i16 s VAL 22 Ca 0.00 0.14 0.00 0.00 -1.81 0.00 0.00 61.98 60.31 1i16 s VAL 22 Cb 0.00 -0.73 0.00 0.00 0.56 0.00 0.00 36.38 36.21 1i16 s VAL 22 CO 0.00 0.06 0.00 1.21 -0.31 0.00 0.00 175.10 176.06 1i16 n GLU 23 N 5.39 -1.36 -2.45 4.82 0.00 -1.26 -4.99 120.64 120.80 1i16 n GLU 23 Ca -0.09 1.01 -0.02 0.00 0.00 0.00 0.00 57.16 58.06 1i16 n GLU 23 Cb 0.49 -1.13 -0.02 0.00 0.00 0.00 0.00 31.44 30.78 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 -0.89 -6.24 -0.02 4.31 7.64 -1.26 -4.96 113.62 112.20 1i16 n SER 24 Ca 0.00 1.68 -0.00 0.00 1.01 0.00 0.00 58.87 61.56 1i16 n SER 24 Cb 0.00 -5.12 -0.00 0.00 -1.01 0.00 0.00 64.21 58.08 1i16 n SER 24 CO 0.00 0.00 0.00 0.74 -3.01 0.00 0.00 175.04 172.77 1i16 h THR 25 N 4.27 0.00 0.00 0.44 2.02 -1.98 -3.48 112.91 114.18 1i16 h THR 25 Ca -0.19 -0.59 0.00 0.00 0.77 0.00 0.00 66.41 66.39 1i16 h THR 25 Cb 0.44 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.85 1i16 h THR 25 CO 0.00 0.00 0.00 0.00 0.37 0.00 0.00 175.52 175.89 1i16 n ALA 26 N -2.47 0.00 -2.10 6.16 0.00 -1.26 -5.09 120.51 115.75 1i16 n ALA 26 Ca -0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 1i16 n ALA 26 Cb 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.44 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 -3.17 -0.80 0.00 1.02 -1.26 -4.93 120.64 111.49 1i16 n GLU 27 Ca 0.00 2.53 -0.28 0.00 -0.02 0.00 0.00 57.16 59.39 1i16 n GLU 27 Cb 0.00 -3.55 0.08 0.00 -0.02 0.00 0.00 31.44 27.95 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 1.15 -2.92 -2.83 0.62 0.00 -1.26 -4.97 120.51 110.30 1i16 n ALA 28 Ca -0.19 -1.10 -0.27 0.00 0.00 0.00 0.00 53.44 51.88 1i16 n ALA 28 Cb 0.29 -0.85 -0.16 0.00 0.00 0.00 0.00 19.45 18.73 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -2.07 1.59 0.13 0.00 -4.23 -0.88 -4.97 115.64 105.21 1i16 s THR 29 Ca 0.35 -0.81 -0.06 0.00 -1.18 0.00 0.00 61.69 59.99 1i16 s THR 29 Cb 0.01 -1.36 -0.06 0.00 1.34 0.00 0.00 72.50 72.44 1i16 s THR 29 CO 0.50 0.45 0.38 -0.69 -0.54 0.00 0.00 174.62 174.73 1i16 s VAL 30 N -0.05 5.15 -0.50 2.29 1.01 -1.26 -1.17 120.40 125.87 1i16 s VAL 30 Ca -0.03 0.13 0.03 0.00 0.00 0.00 0.00 61.98 62.11 1i16 s VAL 30 Cb -0.12 -3.62 0.15 0.00 0.00 0.00 0.00 36.38 32.79 1i16 s VAL 30 CO 0.02 0.09 0.33 0.00 0.00 0.00 0.00 175.10 175.54 1i16 s THR 32 N -0.20 4.19 0.08 0.00 2.01 -1.26 -3.37 115.64 117.09 1i16 s THR 32 Ca 0.24 1.45 -0.02 0.00 0.31 0.00 0.00 61.69 63.66 1i16 s THR 32 Cb -0.11 -3.93 -0.03 0.00 0.01 0.00 0.00 72.50 68.43 1i16 s THR 32 CO -0.10 -0.11 0.03 0.68 -0.69 0.00 0.00 174.62 174.43 1i16 s VAL 33 N 3.39 0.18 -0.12 3.82 -7.23 0.14 -4.95 120.40 115.63 1i16 s VAL 33 Ca 0.57 -1.72 0.02 0.00 -1.81 0.00 0.00 61.98 59.03 1i16 s VAL 33 Cb -0.23 -1.61 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 1i16 s VAL 33 CO 0.17 -0.81 -0.18 0.42 -0.31 0.00 0.00 175.10 174.39 1i16 s THR 34 N -3.94 2.58 -0.96 5.32 -4.23 -1.26 0.24 115.64 113.39 1i16 s THR 34 Ca 0.11 -0.83 -0.00 0.00 -1.18 0.00 0.00 61.69 59.78 1i16 s THR 34 Cb 0.07 -2.05 0.32 0.00 1.34 0.00 0.00 72.50 72.19 1i16 s THR 34 CO -0.07 0.54 1.63 0.18 -0.54 0.00 0.00 174.62 176.36 1i16 n LEU 35 N 3.59 6.75 0.00 4.79 7.99 0.52 -4.41 117.00 136.23 1i16 n LEU 35 Ca -0.19 -5.41 0.00 0.00 -0.01 0.00 0.00 56.01 50.40 1i16 n LEU 35 Cb 0.53 -1.08 0.00 0.00 -0.11 0.00 0.00 43.42 42.75 1i16 n LEU 35 CO 0.29 2.05 0.00 -0.62 -1.51 0.00 0.00 177.39 177.60 1i16 n GLU 36 N 0.11 0.00 -2.69 3.23 1.02 -1.25 -4.24 120.64 116.82 1i16 n GLU 36 Ca 0.42 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 57.14 1i16 n GLU 36 Cb 0.29 0.00 -0.04 0.00 -0.02 0.00 0.00 31.44 31.67 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 1i16 s LYS 37 N 0.00 4.64 0.00 3.49 -0.14 0.44 -4.85 119.74 123.32 1i16 s LYS 37 Ca 0.00 1.48 0.00 0.00 -1.36 0.00 0.00 55.97 56.09 1i16 s LYS 37 Cb 0.00 -3.39 0.00 0.00 -1.68 0.00 0.00 37.83 32.76 1i16 s LYS 37 CO 0.00 0.11 0.00 -1.33 -0.76 0.00 0.00 175.35 173.37 1i16 n MET 38 N 3.07 0.61 0.00 1.68 2.81 -1.26 -2.16 117.12 121.87 1i16 n MET 38 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.93 1i16 n MET 38 Cb 0.49 -0.68 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 1i16 n MET 38 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1i16 n SER 39 N -1.52 0.00 0.06 7.83 2.88 -1.26 -4.98 113.62 116.63 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 0.18 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.64 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 2.39 0.00 -1.46 0.00 -1.26 -5.10 120.51 115.08 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 0.89 -0.17 1.97 0.00 0.00 -1.26 -4.80 105.19 101.81 1i16 n GLY 41 Ca 0.00 -0.21 -0.05 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.21 -0.60 0.99 4.77 -1.26 -1.45 117.00 119.25 1i16 n LEU 42 Ca 0.00 0.13 -0.06 0.00 -0.03 0.00 0.00 56.01 56.05 1i16 n LEU 42 Cb 0.00 -1.42 -0.02 0.00 -2.33 0.00 0.00 43.42 39.65 1i16 n LEU 42 CO 0.00 -0.44 -0.05 0.61 -1.33 0.00 0.00 177.39 176.18 1i16 n GLY 43 N 0.07 0.53 3.18 -0.72 0.00 -1.26 -4.86 105.19 102.13 1i16 n GLY 43 Ca -0.05 0.00 -0.12 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 -1.26 -0.10 0.27 1.61 -0.12 -0.53 0.27 117.98 118.13 1i16 s PHE 44 Ca 0.00 0.15 0.07 0.00 -0.05 0.00 0.00 56.93 57.10 1i16 s PHE 44 Cb 0.00 0.04 -0.03 0.00 -0.63 0.00 0.00 43.02 42.39 1i16 s PHE 44 CO 0.00 -0.32 0.19 0.45 -0.05 0.00 0.00 175.22 175.49 1i16 s SER 45 N -1.20 5.36 -0.02 1.98 0.15 0.12 -4.96 113.70 115.12 1i16 s SER 45 Ca -0.13 -0.35 0.07 0.00 0.70 0.00 0.00 55.95 56.24 1i16 s SER 45 Cb -0.06 -1.24 -0.02 0.00 -1.71 0.00 0.00 66.02 62.98 1i16 s SER 45 CO 0.03 -0.10 -0.23 -0.22 1.20 0.00 0.00 173.24 173.91 1i16 s LEU 46 N -3.86 2.24 0.23 3.45 2.96 -1.26 -2.95 118.68 119.48 1i16 s LEU 46 Ca 0.34 -0.41 0.11 0.00 -0.22 0.00 0.00 54.13 53.96 1i16 s LEU 46 Cb -0.07 -1.39 -0.05 0.00 0.50 0.00 0.00 46.19 45.18 1i16 s LEU 46 CO 0.25 0.32 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.80 1i16 s GLU 47 N -0.71 1.71 -0.19 1.98 2.02 0.55 -4.70 118.70 119.35 1i16 s GLU 47 Ca 0.11 -1.56 -0.06 0.00 0.02 0.00 0.00 54.97 53.47 1i16 s GLU 47 Cb -0.10 -1.89 0.09 0.00 0.10 0.00 0.00 34.13 32.33 1i16 s GLU 47 CO -0.00 0.38 0.39 0.20 0.02 0.00 0.00 175.26 176.24 1i16 s GLY 48 N -3.05 -0.33 -0.62 -1.39 0.00 -1.26 0.21 107.32 100.89 1i16 s GLY 48 Ca 0.25 1.32 -0.06 0.00 0.00 0.00 0.00 44.72 46.24 1i16 s GLY 48 CO 0.13 2.37 2.44 0.61 0.00 0.00 0.00 173.10 178.65 1i16 n GLY 49 N 5.38 2.94 3.49 0.20 0.00 -1.26 -4.05 105.19 111.88 1i16 n GLY 49 Ca -0.07 -0.92 -0.13 0.00 0.00 0.00 0.00 46.02 44.89 1i16 n GLY 49 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1i16 n LYS 50 N 3.45 0.26 0.00 1.61 2.85 -1.26 -4.27 118.16 120.79 1i16 n LYS 50 Ca 0.42 -0.87 0.00 0.00 -1.05 0.00 0.00 58.31 56.81 1i16 n LYS 50 Cb 0.35 -3.01 0.00 0.00 -0.65 0.00 0.00 35.03 31.72 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 6.12 1.69 0.00 2.58 0.00 -1.26 -5.02 105.19 109.30 1i16 n GLY 51 Ca 0.43 0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.51 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 0.00 -0.06 1.61 7.64 -1.26 -4.91 113.62 116.64 1i16 n SER 52 Ca 0.00 0.00 -0.21 0.00 1.01 0.00 0.00 58.87 59.67 1i16 n SER 52 Cb 0.00 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.07 1i16 n SER 52 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1i16 h LEU 53 N 0.00 0.16 -0.71 -3.43 6.46 -1.98 -3.44 115.31 112.37 1i16 h LEU 53 Ca 0.00 -0.69 0.00 0.00 -0.12 0.00 0.00 57.88 57.07 1i16 h LEU 53 Cb 0.00 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 39.88 1i16 h LEU 53 CO 0.00 1.58 0.00 1.41 -0.62 0.00 0.00 178.44 180.81 1i16 n HIS 54 N -4.13 0.00 0.00 1.25 8.25 -1.26 -5.02 115.22 114.31 1i16 n HIS 54 Ca -0.30 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.16 1i16 n HIS 54 Cb 0.80 0.03 0.00 0.00 1.12 0.00 0.00 29.99 31.93 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1i16 n GLY 55 N 0.00 0.16 2.57 -1.41 0.00 -1.26 -5.11 105.19 100.14 1i16 n GLY 55 Ca 0.00 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.37 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 1.35 -3.82 1.61 8.00 -1.26 -5.00 116.55 117.44 1i16 n ASP 56 Ca 0.00 -2.84 -0.30 0.00 0.71 0.00 0.00 54.79 52.37 1i16 n ASP 56 Cb 0.00 -0.65 -0.14 0.00 -0.02 0.00 0.00 41.12 40.31 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 -0.91 1.54 -1.11 -1.24 0.00 -1.26 -4.61 119.74 112.15 1i16 s LYS 57 Ca 0.31 -2.21 -0.22 0.00 0.00 0.00 0.00 55.97 53.85 1i16 s LYS 57 Cb 0.03 -2.74 0.04 0.00 0.00 0.00 0.00 37.83 35.16 1i16 s LYS 57 CO -0.16 -1.13 1.63 -1.25 0.00 0.00 0.00 175.35 174.44 1i16 s PRO 58 N 0.16 3.53 0.12 1.78 0.04 -1.26 -4.60 135.00 134.77 1i16 s PRO 58 Ca 0.17 -1.32 -0.35 0.00 0.04 0.00 0.00 61.00 59.54 1i16 s PRO 58 Cb -0.25 -5.38 -0.17 0.00 0.04 0.00 0.00 34.50 28.74 1i16 s PRO 58 CO -0.01 -2.48 1.09 1.28 0.04 0.00 0.00 177.00 176.92 1i16 n LEU 59 N 9.68 0.84 -3.99 -3.56 4.32 -1.26 -4.62 117.00 118.40 1i16 n LEU 59 Ca 0.40 1.14 -0.09 0.00 -0.02 0.00 0.00 56.01 57.44 1i16 n LEU 59 Cb 0.49 -1.11 -0.10 0.00 -1.62 0.00 0.00 43.42 41.08 1i16 n LEU 59 CO 0.69 -1.61 -0.30 0.42 -1.22 0.00 0.00 177.39 175.37 1i16 s THR 60 N -0.14 0.15 -0.11 -5.08 -4.23 0.57 -2.71 115.64 104.10 1i16 s THR 60 Ca 0.78 -1.26 -0.30 0.00 -1.18 0.00 0.00 61.69 59.74 1i16 s THR 60 Cb -0.98 -0.91 -0.02 0.00 1.34 0.00 0.00 72.50 71.94 1i16 s THR 60 CO 0.53 -0.69 1.18 -0.63 -0.54 0.00 0.00 174.62 174.46 1i16 s ILE 61 N -2.69 4.37 -0.03 2.99 1.01 -1.15 0.20 121.20 125.91 1i16 s ILE 61 Ca -0.04 1.68 0.16 0.00 0.00 0.00 0.00 60.65 62.44 1i16 s ILE 61 Cb -0.01 -4.08 -0.24 0.00 0.01 0.00 0.00 42.46 38.14 1i16 s ILE 61 CO -0.05 -0.05 0.33 -0.46 0.00 0.00 0.00 174.94 174.70 1i16 n ASN 62 N 5.65 1.44 -3.71 3.58 6.94 -1.15 -0.06 115.26 127.95 1i16 n ASN 62 Ca 0.12 0.00 -0.29 0.00 -0.02 0.00 0.00 54.58 54.39 1i16 n ASN 62 Cb 0.46 1.67 -0.16 0.00 -2.36 0.00 0.00 39.78 39.39 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -1.03 0.00 0.00 177.26 176.10 1i16 s ARG 63 N -3.04 0.61 -0.01 -3.83 1.81 -1.26 -4.93 118.95 108.30 1i16 s ARG 63 Ca -0.06 -0.64 0.02 0.00 -1.72 0.00 0.00 55.73 53.33 1i16 s ARG 63 Cb 0.10 -1.95 -0.03 0.00 -0.45 0.00 0.00 34.95 32.62 1i16 s ARG 63 CO 0.64 -0.80 -0.02 0.42 -0.68 0.00 0.00 175.30 174.86 1i16 s ILE 64 N 1.81 4.02 0.44 1.52 1.01 -1.26 0.13 121.20 128.87 1i16 s ILE 64 Ca 0.04 -0.62 0.08 0.00 0.00 0.00 0.00 60.65 60.15 1i16 s ILE 64 Cb -0.17 -2.77 -0.00 0.00 0.01 0.00 0.00 42.46 39.53 1i16 s ILE 64 CO -0.17 0.40 0.43 -0.36 0.00 0.00 0.00 174.94 175.24 1i16 s PHE 65 N -1.04 2.55 -1.04 3.97 0.08 0.76 -4.95 117.98 118.32 1i16 s PHE 65 Ca 0.18 -0.52 -0.05 0.00 0.12 0.00 0.00 56.93 56.66 1i16 s PHE 65 Cb -0.11 -2.18 0.28 0.00 -0.57 0.00 0.00 43.02 40.43 1i16 s PHE 65 CO 0.09 -0.26 1.17 1.17 -0.10 0.00 0.00 175.22 177.29 1i16 n LYS 66 N -1.65 3.66 -0.00 0.44 0.00 -1.26 -4.66 118.16 114.68 1i16 n LYS 66 Ca 0.04 -4.51 0.05 0.00 0.00 0.00 0.00 58.31 53.90 1i16 n LYS 66 Cb 0.62 -2.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.08 1i16 n LYS 66 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1i16 n GLY 67 N 2.05 -0.25 1.38 3.14 0.00 -1.26 -5.09 105.19 105.15 1i16 n GLY 67 Ca 0.25 -0.28 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 -1.56 -2.55 -2.62 4.61 0.00 -1.26 -4.94 120.51 112.19 1i16 n ALA 68 Ca 0.00 0.22 -0.39 0.00 0.00 0.00 0.00 53.44 53.28 1i16 n ALA 68 Cb 0.23 -0.84 -0.09 0.00 0.00 0.00 0.00 19.45 18.75 1i16 n ALA 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 69 N -0.25 3.57 0.00 0.00 0.00 -1.26 -4.89 121.76 118.93 1i16 s ALA 69 Ca 0.00 -0.75 0.00 0.00 0.00 0.00 0.00 51.96 51.21 1i16 s ALA 69 Cb 0.00 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.43 1i16 s ALA 69 CO 0.00 -0.57 0.00 -1.13 0.00 0.00 0.00 175.76 174.06 1i16 n SER 70 N 5.12 0.00 0.00 0.00 3.41 -1.26 -3.96 113.62 116.93 1i16 n SER 70 Ca -0.08 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.53 1i16 n SER 70 Cb 0.51 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 1i16 n SER 70 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 1i16 n GLU 71 N 0.00 0.00 -2.86 4.33 0.28 -1.26 -5.06 120.64 116.07 1i16 n GLU 71 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 1i16 n GLU 71 Cb 0.00 0.00 0.01 0.00 1.43 0.00 0.00 31.44 32.88 1i16 n GLU 71 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1i16 n GLN 72 N 0.00 4.77 0.00 3.44 10.64 -1.25 -4.94 117.38 130.04 1i16 n GLN 72 Ca 0.00 -4.63 0.00 0.00 -1.83 0.00 0.00 57.00 50.54 1i16 n GLN 72 Cb 0.00 -2.47 0.00 0.00 -0.86 0.00 0.00 30.24 26.91 1i16 n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1i16 n SER 73 N 0.60 0.00 -4.73 2.61 3.41 -1.26 -4.51 113.62 109.73 1i16 n SER 73 Ca 0.36 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.74 1i16 n SER 73 Cb 0.31 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.00 2.58 0.00 4.33 0.41 -1.26 -5.07 118.70 119.69 1i16 s GLU 74 Ca 0.00 -1.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.29 1i16 s GLU 74 Cb 0.00 -2.34 0.00 0.00 -1.78 0.00 0.00 34.13 30.01 1i16 s GLU 74 CO 0.00 0.36 0.00 0.25 -0.49 0.00 0.00 175.26 175.38 1i16 n THR 75 N -1.04 0.00 -1.80 3.63 -2.24 -1.26 -4.96 114.28 106.61 1i16 n THR 75 Ca -0.07 0.00 -0.29 0.00 -2.27 0.00 0.00 64.05 61.42 1i16 n THR 75 Cb 0.59 0.00 0.14 0.00 -2.10 0.00 0.00 70.33 68.96 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 0.31 1.97 -0.09 2.28 -7.23 -1.26 -4.83 120.40 111.55 1i16 s VAL 76 Ca 0.00 0.00 -0.12 0.00 -1.81 0.00 0.00 61.98 60.05 1i16 s VAL 76 Cb 0.00 -2.92 0.03 0.00 0.56 0.00 0.00 36.38 34.05 1i16 s VAL 76 CO 0.00 0.00 0.32 0.00 -0.31 0.00 0.00 175.10 175.11 1i16 s GLN 77 N -5.63 0.46 0.10 4.82 0.00 -1.26 -5.11 119.66 113.04 1i16 s GLN 77 Ca 0.67 0.26 -0.30 0.00 -0.00 0.00 0.00 55.36 56.00 1i16 s GLN 77 Cb -0.09 0.22 -0.06 0.00 0.00 0.00 0.00 33.01 33.08 1i16 s GLN 77 CO 0.52 -0.08 0.97 -1.25 0.00 0.00 0.00 175.29 175.44 1i16 s PRO 78 N -0.27 4.68 -0.26 9.60 0.04 -1.26 -3.32 135.00 144.21 1i16 s PRO 78 Ca -0.04 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.46 1i16 s PRO 78 Cb -0.03 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 31.13 1i16 s PRO 78 CO 0.02 0.18 0.00 0.41 0.04 0.00 0.00 177.00 177.64 1i16 n GLY 79 N 2.31 0.44 3.78 0.56 0.00 0.91 -4.94 105.19 108.25 1i16 n GLY 79 Ca 0.03 -0.09 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.18 6.38 -1.04 1.61 -4.77 -1.21 -4.75 116.67 110.71 1i16 s ASP 80 Ca 0.00 2.19 -0.15 0.00 -3.30 0.00 0.00 52.55 51.29 1i16 s ASP 80 Cb 0.00 -2.59 0.18 0.00 -1.09 0.00 0.00 42.92 39.41 1i16 s ASP 80 CO 0.00 -0.77 1.19 -0.70 0.70 0.00 0.00 175.17 175.59 1i16 s GLU 81 N -2.68 3.86 0.03 2.11 2.12 -1.26 -2.92 118.70 119.96 1i16 s GLU 81 Ca 0.62 -2.35 -0.30 0.00 0.36 0.00 0.00 54.97 53.29 1i16 s GLU 81 Cb -0.25 -4.86 -0.04 0.00 0.26 0.00 0.00 34.13 29.24 1i16 s GLU 81 CO 0.31 -1.64 1.04 0.42 -0.54 0.00 0.00 175.26 174.85 1i16 s ILE 82 N 1.42 4.60 0.02 -3.70 1.01 -1.10 -3.20 121.20 120.26 1i16 s ILE 82 Ca 0.34 1.89 -0.17 0.00 0.00 0.00 0.00 60.65 62.71 1i16 s ILE 82 Cb -0.05 -4.21 -0.32 0.00 0.01 0.00 0.00 42.46 37.88 1i16 s ILE 82 CO -0.06 0.16 1.02 -0.07 0.00 0.00 0.00 174.94 175.99 1i16 h LEU 83 N 6.70 0.78 -7.47 2.97 4.07 -1.76 -3.42 115.31 117.18 1i16 h LEU 83 Ca -0.41 -0.88 -0.11 0.00 0.08 0.00 0.00 57.88 56.55 1i16 h LEU 83 Cb 1.22 -0.25 -0.20 0.00 1.08 0.00 0.00 40.66 42.51 1i16 h LEU 83 CO 0.76 1.59 -0.24 0.00 -1.08 0.00 0.00 178.44 179.47 1i16 s GLN 84 N -2.73 0.68 0.55 1.13 0.00 -1.26 0.18 119.66 118.20 1i16 s GLN 84 Ca -0.10 -0.12 0.07 0.00 -0.00 0.00 0.00 55.36 55.21 1i16 s GLN 84 Cb 0.04 0.30 0.07 0.00 0.00 0.00 0.00 33.01 33.42 1i16 s GLN 84 CO 0.91 -0.19 0.76 -0.51 0.00 0.00 0.00 175.29 176.27 1i16 s LEU 85 N -1.23 3.26 -0.68 2.60 1.02 0.49 -3.82 118.68 120.32 1i16 s LEU 85 Ca -0.13 -0.58 -0.06 0.00 0.02 0.00 0.00 54.13 53.39 1i16 s LEU 85 Cb -0.05 -2.09 -0.05 0.00 0.02 0.00 0.00 46.19 44.02 1i16 s LEU 85 CO 0.04 -1.24 1.83 0.61 0.02 0.00 0.00 176.35 177.61 1i16 n GLY 86 N -2.23 2.70 0.00 -3.19 0.00 0.28 -2.17 105.19 100.58 1i16 n GLY 86 Ca 0.13 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.47 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 3.89 -0.56 3.53 -0.02 0.00 -1.26 -4.60 105.19 106.17 1i16 n GLY 87 Ca 0.34 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.26 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 0.05 2.61 -1.32 -0.92 -4.46 115.64 111.60 1i16 s THR 88 Ca 0.00 0.00 0.08 0.00 -1.21 0.00 0.00 61.69 60.56 1i16 s THR 88 Cb 0.00 -1.00 -0.03 0.00 -1.51 0.00 0.00 72.50 69.96 1i16 s THR 88 CO 0.00 0.00 -0.21 0.00 -2.21 0.00 0.00 174.62 172.20 1i16 s ALA 89 N -2.11 2.51 -0.05 11.08 0.00 -1.26 0.18 121.76 132.11 1i16 s ALA 89 Ca 0.00 -1.24 -0.02 0.00 0.00 0.00 0.00 51.96 50.70 1i16 s ALA 89 Cb -0.01 -0.65 -0.01 0.00 0.00 0.00 0.00 23.12 22.46 1i16 s ALA 89 CO -0.03 0.56 -0.04 0.52 0.00 0.00 0.00 175.76 176.78 1i16 h MET 90 N 4.49 0.00 -1.49 0.00 2.86 0.16 -3.35 114.93 117.59 1i16 h MET 90 Ca -0.48 0.00 0.43 0.00 -2.06 0.00 0.00 59.70 57.59 1i16 h MET 90 Cb 1.15 0.00 -0.06 0.00 0.06 0.00 0.00 31.60 32.75 1i16 h MET 90 CO 0.46 0.00 1.09 1.04 1.06 0.00 0.00 176.91 180.56 1i16 n GLN 91 N -3.14 0.00 -1.99 1.72 3.00 -1.24 0.25 117.38 115.99 1i16 n GLN 91 Ca -0.02 0.83 -0.30 0.00 -0.01 0.00 0.00 57.00 57.50 1i16 n GLN 91 Cb 0.06 -1.91 0.03 0.00 0.00 0.00 0.00 30.24 28.42 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 -1.70 6.00 0.91 1.08 0.00 -1.26 -4.99 105.19 105.24 1i16 n GLY 92 Ca 0.34 -2.59 -0.03 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.65 0.00 -4.45 0.99 7.99 0.70 -4.93 117.00 116.65 1i16 n LEU 93 Ca 0.49 -0.70 -0.22 0.00 -0.01 0.00 0.00 56.01 55.57 1i16 n LEU 93 Cb 0.67 0.80 -0.10 0.00 -0.11 0.00 0.00 43.42 44.68 1i16 n LEU 93 CO 0.49 -0.19 -0.33 0.42 -1.51 0.00 0.00 177.39 176.26 1i16 s THR 94 N -2.65 1.53 0.00 -5.08 -4.23 -1.26 -4.91 115.64 99.05 1i16 s THR 94 Ca 0.06 -2.07 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1i16 s THR 94 Cb -0.01 -2.60 0.00 0.00 1.34 0.00 0.00 72.50 71.23 1i16 s THR 94 CO 0.04 -0.19 0.92 -1.14 -0.54 0.00 0.00 174.62 173.71 1i16 n ARG 95 N -0.65 0.00 -0.14 3.99 0.63 -1.26 0.18 116.66 119.41 1i16 n ARG 95 Ca -0.04 0.59 -0.09 0.00 -0.92 0.00 0.00 57.85 57.38 1i16 n ARG 95 Cb 0.65 -1.42 -0.00 0.00 0.45 0.00 0.00 32.46 32.14 1i16 n ARG 95 CO 0.00 0.00 0.00 0.35 -2.51 0.00 0.00 177.63 175.47 1i16 h PHE 96 N 0.00 0.64 0.00 -0.14 3.57 -1.88 -2.18 116.94 116.95 1i16 h PHE 96 Ca 0.00 -0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.40 1i16 h PHE 96 Cb 0.00 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 38.54 1i16 h PHE 96 CO -0.14 0.57 -0.23 1.49 -2.23 0.00 0.00 178.31 177.77 1i16 h GLU 97 N 0.53 0.00 0.44 1.11 4.81 -1.96 -2.85 114.58 116.66 1i16 h GLU 97 Ca 0.14 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.35 1i16 h GLU 97 Cb 0.20 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1i16 h GLU 97 CO -0.01 0.23 -0.21 0.00 -0.73 0.00 0.00 179.01 178.29 1i16 h ALA 98 N 1.77 -0.69 0.00 2.92 0.00 0.24 -3.01 119.26 120.49 1i16 h ALA 98 Ca -0.00 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1i16 h ALA 98 Cb 0.47 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1i16 h ALA 98 CO 0.03 -0.64 0.17 1.87 0.00 0.00 0.00 179.25 180.68 1i16 n TRP 99 N -4.66 0.53 -0.05 0.00 -0.00 -0.89 -2.04 117.44 110.32 1i16 n TRP 99 Ca -0.07 0.28 -0.17 0.00 -0.00 0.00 0.00 57.50 57.53 1i16 n TRP 99 Cb 0.23 -0.82 -0.13 0.00 -0.00 0.00 0.00 31.31 30.59 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 0.10 -0.94 5.87 2.35 -1.40 -3.19 115.58 118.38 1i16 h ASN 100 Ca 0.00 -0.89 0.16 0.00 -0.55 0.00 0.00 56.30 55.03 1i16 h ASN 100 Cb 0.35 -0.03 -0.10 0.00 0.05 0.00 0.00 38.32 38.58 1i16 h ASN 100 CO 0.00 1.20 0.54 0.40 -1.65 0.00 0.00 177.43 177.92 1i16 h ILE 101 N -0.85 0.74 0.59 2.81 5.03 -1.28 -1.79 117.51 122.76 1i16 h ILE 101 Ca -0.11 -0.25 -0.03 0.00 -0.12 0.00 0.00 64.86 64.35 1i16 h ILE 101 Cb 1.22 -0.05 0.01 0.00 -3.03 0.00 0.00 36.82 34.96 1i16 h ILE 101 CO -0.01 0.13 -0.28 0.40 -0.68 0.00 0.00 178.15 177.71 1i16 h ILE 102 N 0.73 0.40 -1.40 -0.67 5.03 -1.67 -2.18 117.51 117.74 1i16 h ILE 102 Ca 0.52 -0.10 0.43 0.00 -0.12 0.00 0.00 64.86 65.59 1i16 h ILE 102 Cb 0.75 0.44 -0.10 0.00 -3.03 0.00 0.00 36.82 34.88 1i16 h ILE 102 CO -0.36 0.02 0.95 0.11 -0.68 0.00 0.00 178.15 178.18 1i16 h LYS 103 N -0.86 0.09 0.00 2.37 1.79 -1.31 2.71 116.57 121.36 1i16 h LYS 103 Ca -0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.38 1i16 h LYS 103 Cb 0.63 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 1i16 h LYS 103 CO 0.13 0.06 0.00 0.00 -1.08 0.00 0.00 179.45 178.56 1i16 n ALA 104 N -2.64 2.60 -1.20 3.86 0.00 -0.83 -4.85 120.51 117.45 1i16 n ALA 104 Ca 0.35 -0.18 -0.30 0.00 0.00 0.00 0.00 53.44 53.32 1i16 n ALA 104 Cb 1.46 -1.50 0.23 0.00 0.00 0.00 0.00 19.45 19.64 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 -2.15 1.01 0.75 0.00 0.05 0.91 -5.04 118.68 114.21 1i16 s LEU 105 Ca 0.41 0.62 -0.09 0.00 0.05 0.00 0.00 54.13 55.13 1i16 s LEU 105 Cb 0.21 -2.42 0.07 0.00 -2.05 0.00 0.00 46.19 42.00 1i16 s LEU 105 CO 0.38 -3.88 1.09 -2.16 -0.55 0.00 0.00 176.35 171.23 1i16 s PRO 106 N -5.44 2.06 -0.93 1.48 0.04 -1.26 -5.00 135.00 125.94 1i16 s PRO 106 Ca 0.71 -0.11 -0.15 0.00 0.04 0.00 0.00 61.00 61.49 1i16 s PRO 106 Cb -0.10 -2.07 0.19 0.00 0.04 0.00 0.00 34.50 32.57 1i16 s PRO 106 CO 0.56 -1.42 0.99 -0.51 0.04 0.00 0.00 177.00 176.66 1i16 s ASP 107 N -4.55 6.82 0.00 6.66 1.01 -1.26 -4.83 116.67 120.52 1i16 s ASP 107 Ca 0.61 -2.63 0.00 0.00 0.71 0.00 0.00 52.55 51.25 1i16 s ASP 107 Cb -0.11 -2.29 0.00 0.00 1.01 0.00 0.00 42.92 41.53 1i16 s ASP 107 CO 0.47 -0.71 0.00 0.61 0.21 0.00 0.00 175.17 175.75 1i16 n GLY 108 N 4.32 4.11 3.55 0.21 0.00 -0.92 -4.75 105.19 111.72 1i16 n GLY 108 Ca 0.21 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.51 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 4.71 3.12 -0.48 1.61 0.04 -1.26 0.17 135.00 142.91 1i16 s PRO 109 Ca 0.00 -0.36 -0.24 0.00 0.04 0.00 0.00 61.00 60.44 1i16 s PRO 109 Cb 0.00 -4.69 0.03 0.00 0.04 0.00 0.00 34.50 29.88 1i16 s PRO 109 CO 0.00 -2.44 0.88 0.54 0.04 0.00 0.00 177.00 176.02 1i16 s VAL 110 N 6.69 4.51 0.05 -0.36 0.11 -1.26 -4.85 120.40 125.30 1i16 s VAL 110 Ca 0.49 0.49 -0.21 0.00 -2.93 0.00 0.00 61.98 59.82 1i16 s VAL 110 Cb -0.06 -4.43 -0.06 0.00 -1.53 0.00 0.00 36.38 30.30 1i16 s VAL 110 CO 0.06 -0.88 0.61 0.28 -3.33 0.00 0.00 175.10 171.84 1i16 s THR 111 N 3.64 4.76 0.16 5.04 -1.32 -1.26 0.20 115.64 126.87 1i16 s THR 111 Ca 0.32 1.29 0.08 0.00 -1.21 0.00 0.00 61.69 62.18 1i16 s THR 111 Cb -0.12 -3.94 -0.04 0.00 -1.51 0.00 0.00 72.50 66.89 1i16 s THR 111 CO 0.23 0.49 -0.18 0.27 -2.21 0.00 0.00 174.62 173.22 1i16 s ILE 112 N -0.73 1.81 -0.18 5.08 -4.36 0.65 0.10 121.20 123.58 1i16 s ILE 112 Ca 0.31 -1.92 -0.05 0.00 -0.26 0.00 0.00 60.65 58.73 1i16 s ILE 112 Cb -0.19 -1.84 0.06 0.00 1.25 0.00 0.00 42.46 41.73 1i16 s ILE 112 CO 0.19 -0.32 0.09 -0.69 0.24 0.00 0.00 174.94 174.45 1i16 s VAL 113 N -2.06 -0.06 0.07 8.37 1.01 -1.25 -0.69 120.40 125.79 1i16 s VAL 113 Ca 0.16 -0.20 0.09 0.00 0.00 0.00 0.00 61.98 62.02 1i16 s VAL 113 Cb -0.06 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.69 1i16 s VAL 113 CO 0.07 -0.30 -0.24 0.27 0.00 0.00 0.00 175.10 174.90 1i16 s ILE 114 N 2.13 1.92 -0.28 2.22 -5.25 -1.22 -2.28 121.20 118.44 1i16 s ILE 114 Ca 0.02 -1.41 0.02 0.00 -0.99 0.00 0.00 60.65 58.30 1i16 s ILE 114 Cb -0.16 -1.67 0.06 0.00 2.95 0.00 0.00 42.46 43.64 1i16 s ILE 114 CO -0.10 0.19 -0.07 -0.60 -1.79 0.00 0.00 174.94 172.57 1i16 s ARG 115 N -1.46 2.17 -0.12 0.37 3.52 -1.19 0.83 118.95 123.07 1i16 s ARG 115 Ca 0.10 -1.41 -0.06 0.00 -0.13 0.00 0.00 55.73 54.23 1i16 s ARG 115 Cb -0.10 -2.97 -0.04 0.00 -1.56 0.00 0.00 34.95 30.29 1i16 s ARG 115 CO 0.03 -0.63 0.10 -0.98 -0.81 0.00 0.00 175.30 173.01 1i16 s ARG 116 N 1.10 3.42 0.52 5.12 1.04 -0.32 -4.12 118.95 125.71 1i16 s ARG 116 Ca -0.06 -0.23 0.07 0.00 -1.04 0.00 0.00 55.73 54.47 1i16 s ARG 116 Cb -0.20 -3.10 0.03 0.00 -2.04 0.00 0.00 34.95 29.64 1i16 s ARG 116 CO -0.05 0.68 0.44 0.15 -0.04 0.00 0.00 175.30 176.48 1i16 s LYS 117 N -0.77 2.32 -0.34 3.89 1.02 -1.26 -2.07 119.74 122.53 1i16 s LYS 117 Ca 0.13 -1.87 -0.41 0.00 0.02 0.00 0.00 55.97 53.84 1i16 s LYS 117 Cb -0.12 -2.22 -0.16 0.00 -0.52 0.00 0.00 37.83 34.81 1i16 s LYS 117 CO 0.03 -0.54 1.79 -1.13 -0.92 0.00 0.00 175.35 174.57 1i16 n SER 118 N -1.76 2.06 -4.46 2.83 3.41 -1.26 -4.93 113.62 109.51 1i16 n SER 118 Ca 0.02 1.01 -0.27 0.00 -0.26 0.00 0.00 58.87 59.37 1i16 n SER 118 Cb 0.63 -1.09 -0.11 0.00 -0.26 0.00 0.00 64.21 63.38 1i16 n SER 118 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1i16 s LEU 119 N 3.98 2.57 0.08 1.04 1.43 -1.26 -5.03 118.68 121.49 1i16 s LEU 119 Ca 1.02 -0.79 0.00 0.00 -1.03 0.00 0.00 54.13 53.33 1i16 s LEU 119 Cb -1.15 -1.29 0.00 0.00 0.03 0.00 0.00 46.19 43.77 1i16 s LEU 119 CO 0.67 0.12 0.00 0.00 0.23 0.00 0.00 176.35 177.37 1i16 n GLN 120 N 0.23 0.00 -2.35 1.70 10.64 -1.26 -4.94 117.38 121.39 1i16 n GLN 120 Ca -0.12 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 54.95 1i16 n GLN 120 Cb 0.56 0.00 0.04 0.00 -0.86 0.00 0.00 30.24 29.98 1i16 n GLN 120 CO 0.00 0.00 0.00 -1.13 -1.83 0.00 0.00 177.06 174.10 1i16 n SER 121 N -2.72 2.96 -0.02 2.61 3.41 -1.26 -5.11 113.62 113.48 1i16 n SER 121 Ca 0.00 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.79 1i16 n SER 121 Cb 0.00 -0.42 0.00 0.00 -0.26 0.00 0.00 64.21 63.53 1i16 n SER 121 CO 0.00 0.00 0.00 2.29 -0.16 0.00 0.00 175.04 177.17 1i16 n LYS 122 N -0.62 0.00 -2.76 4.33 2.85 -1.26 -4.07 118.16 116.63 1i16 n LYS 122 Ca 0.23 0.00 -0.43 0.00 -1.05 0.00 0.00 58.31 57.06 1i16 n LYS 122 Cb 0.88 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.23 1i16 n LYS 122 CO 0.00 0.00 0.00 -1.83 -0.05 0.00 0.00 177.40 175.52 1i16 s GLU 123 N 0.00 3.89 0.41 -1.58 4.04 -1.26 -5.03 118.70 119.17 1i16 s GLU 123 Ca 0.00 0.69 -0.11 0.00 0.04 0.00 0.00 54.97 55.59 1i16 s GLU 123 Cb 0.00 -3.79 -0.06 0.00 0.02 0.00 0.00 34.13 30.29 1i16 s GLU 123 CO 0.00 -0.96 0.78 -0.08 -1.84 0.00 0.00 175.26 173.16 1i16 s THR 124 N 3.56 4.78 0.00 1.83 -1.32 -1.26 -4.99 115.64 118.24 1i16 s THR 124 Ca 0.40 0.64 0.00 0.00 -1.21 0.00 0.00 61.69 61.52 1i16 s THR 124 Cb -0.12 -3.73 0.00 0.00 -1.51 0.00 0.00 72.50 67.14 1i16 s THR 124 CO 0.19 -0.53 0.00 1.07 -2.21 0.00 0.00 174.62 173.14 1i16 n THR 125 N -1.31 0.00 0.00 5.08 5.66 -1.26 -5.06 114.28 117.39 1i16 n THR 125 Ca 0.03 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.03 1i16 n THR 125 Cb 0.54 -0.47 0.00 0.00 -1.55 0.00 0.00 70.33 68.85 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i16 n ALA 126 N -1.71 0.83 0.00 1.79 0.00 -1.26 -5.14 120.51 115.03 1i16 n ALA 126 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1i16 n ALA 126 Cb 0.30 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.75 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 -3.00 0.00 -2.22 0.00 0.00 -1.26 -5.05 120.51 108.98 1i16 n ALA 127 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.41 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 0.00 -0.98 3.92 0.00 0.00 -1.26 -5.03 105.19 101.84 1i16 n GLY 128 Ca 0.00 0.53 -0.27 0.00 0.00 0.00 0.00 46.02 46.28 1i16 n GLY 128 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 129 N -1.94 4.56 0.00 1.61 -1.08 -1.26 -5.22 116.67 113.34 1i16 s ASP 129 Ca 0.11 0.58 0.00 0.00 -0.52 0.00 0.00 52.55 52.72 1i16 s ASP 129 Cb -0.03 -1.12 0.00 0.00 -1.46 0.00 0.00 42.92 40.31 1i16 s ASP 129 CO 0.40 -1.81 0.00 -0.24 0.52 0.00 0.00 175.17 174.03