#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1i16 h PRO 2 N 0.00 0.00 0.00 2.12 0.13 -2.10 -3.48 132.00 128.68 1i16 h PRO 2 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1i16 h PRO 2 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1i16 h PRO 2 CO 0.00 0.64 0.00 -0.25 -0.23 0.00 0.00 178.00 178.16 1i16 n ASP 3 N -3.36 0.03 -2.26 1.44 9.92 -1.26 -5.05 116.55 116.01 1i16 n ASP 3 Ca 0.01 0.00 -0.29 0.00 -0.53 0.00 0.00 54.79 53.98 1i16 n ASP 3 Cb 0.75 0.00 0.03 0.00 -0.64 0.00 0.00 41.12 41.26 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.11 0.13 0.00 0.00 177.20 177.22 1i16 n LEU 4 N 0.00 5.76 -4.90 0.64 0.00 -1.26 -5.02 117.00 112.22 1i16 n LEU 4 Ca 0.00 -4.75 -0.33 0.00 0.00 0.00 0.00 56.01 50.93 1i16 n LEU 4 Cb 0.00 -0.58 -0.05 0.00 0.00 0.00 0.00 43.42 42.80 1i16 n LEU 4 CO 0.00 1.96 -0.16 0.54 0.00 0.00 0.00 177.39 179.73 1i16 s ASN 5 N -2.96 6.37 0.00 1.96 4.22 -1.26 -4.96 114.94 118.31 1i16 s ASN 5 Ca 0.54 0.35 0.00 0.00 -2.14 0.00 0.00 52.86 51.60 1i16 s ASN 5 Cb 0.43 -2.00 0.00 0.00 1.28 0.00 0.00 41.25 40.96 1i16 s ASN 5 CO -0.06 0.27 0.00 -1.20 -2.04 0.00 0.00 177.10 174.07 1i16 n SER 6 N 0.96 0.00 -4.56 3.54 7.64 -1.26 -5.00 113.62 114.94 1i16 n SER 6 Ca -0.11 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.55 1i16 n SER 6 Cb 0.53 0.06 -0.06 0.00 -1.01 0.00 0.00 64.21 63.72 1i16 n SER 6 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1i16 s SER 7 N -2.80 4.69 -0.01 6.43 0.15 -1.26 -4.54 113.70 116.36 1i16 s SER 7 Ca 0.00 -0.58 -0.04 0.00 0.70 0.00 0.00 55.95 56.03 1i16 s SER 7 Cb 0.00 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.73 1i16 s SER 7 CO 0.00 -3.20 -0.08 0.35 1.20 0.00 0.00 173.24 171.51 1i16 n THR 8 N 8.19 0.90 -3.12 6.45 -2.24 -1.26 -5.02 114.28 118.17 1i16 n THR 8 Ca 0.43 0.16 -0.19 0.00 -2.27 0.00 0.00 64.05 62.18 1i16 n THR 8 Cb 0.46 -1.69 0.05 0.00 -2.10 0.00 0.00 70.33 67.04 1i16 n THR 8 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1i16 n ASP 9 N -3.54 -5.48 -3.01 3.42 2.03 -1.26 -4.98 116.55 103.73 1i16 n ASP 9 Ca -0.07 -0.33 -0.13 0.00 0.52 0.00 0.00 54.79 54.77 1i16 n ASP 9 Cb 0.32 -4.21 -0.01 0.00 -0.72 0.00 0.00 41.12 36.50 1i16 n ASP 9 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 1i16 s SER 10 N -2.99 0.73 0.62 1.67 1.04 -1.26 -5.13 113.70 108.39 1i16 s SER 10 Ca 0.36 -1.44 0.00 0.00 0.48 0.00 0.00 55.95 55.35 1i16 s SER 10 Cb -0.16 0.75 0.00 0.00 0.10 0.00 0.00 66.02 66.71 1i16 s SER 10 CO 0.44 -1.47 0.00 0.00 0.98 0.00 0.00 173.24 173.19 1i16 n ALA 11 N -0.58 -2.98 -0.55 5.32 0.00 -1.26 -4.74 120.51 115.72 1i16 n ALA 11 Ca -0.02 0.74 0.00 0.00 0.00 0.00 0.00 53.44 54.16 1i16 n ALA 11 Cb 0.61 -1.55 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 -3.57 -0.20 -0.95 0.00 0.00 -1.26 -4.93 120.51 109.61 1i16 n ALA 12 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.47 1i16 n ALA 12 Cb 0.60 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.03 1i16 n ALA 12 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i16 n SER 13 N -1.18 -5.67 -2.19 0.00 3.41 -1.26 -3.69 113.62 103.04 1i16 n SER 13 Ca 0.00 0.64 -0.28 0.00 -0.26 0.00 0.00 58.87 58.97 1i16 n SER 13 Cb 0.00 -1.86 0.09 0.00 -0.26 0.00 0.00 64.21 62.18 1i16 n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 14 N -1.00 5.84 -1.30 7.33 0.00 -1.26 -4.76 120.51 125.36 1i16 n ALA 14 Ca 0.00 -2.92 -0.39 0.00 0.00 0.00 0.00 53.44 50.14 1i16 n ALA 14 Cb 0.27 -1.61 -0.03 0.00 0.00 0.00 0.00 19.45 18.08 1i16 n ALA 14 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1i16 n SER 15 N -0.70 8.61 -1.23 0.00 2.88 -1.24 -3.98 113.62 117.95 1i16 n SER 15 Ca 0.54 -2.57 0.01 0.00 -1.33 0.00 0.00 58.87 55.52 1i16 n SER 15 Cb 0.87 -1.55 -0.01 0.00 -0.75 0.00 0.00 64.21 62.77 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1i16 n ALA 16 N 3.64 2.66 0.08 -1.46 0.00 -1.26 -4.98 120.51 119.19 1i16 n ALA 16 Ca 0.78 -1.70 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1i16 n ALA 16 Cb 0.23 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.10 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 0.30 0.00 -2.88 0.00 0.00 -1.26 -5.10 120.51 111.58 1i16 n ALA 17 Ca -0.03 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.35 1i16 n ALA 17 Cb 0.96 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.42 1i16 n ALA 17 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1i16 n SER 18 N -2.84 -7.65 -2.44 0.00 7.64 -1.26 -4.86 113.62 102.21 1i16 n SER 18 Ca 0.00 0.93 -0.34 0.00 1.01 0.00 0.00 58.87 60.48 1i16 n SER 18 Cb 0.00 -4.60 0.06 0.00 -1.01 0.00 0.00 64.21 58.65 1i16 n SER 18 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 1i16 n ASP 19 N 0.43 7.46 -1.95 6.43 9.92 -1.26 -4.57 116.55 133.02 1i16 n ASP 19 Ca 0.03 -3.69 -0.19 0.00 -0.53 0.00 0.00 54.79 50.42 1i16 n ASP 19 Cb 0.25 -1.03 0.14 0.00 -0.64 0.00 0.00 41.12 39.84 1i16 n ASP 19 CO 0.00 0.00 0.00 0.52 0.13 0.00 0.00 177.20 177.85 1i16 n VAL 20 N -0.57 2.70 -3.09 2.53 0.31 -1.26 -4.94 118.33 114.02 1i16 n VAL 20 Ca 0.56 -1.49 -0.37 0.00 -0.01 0.00 0.00 64.34 63.03 1i16 n VAL 20 Cb 0.53 -0.61 -0.06 0.00 -0.91 0.00 0.00 33.84 32.79 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1i16 s SER 21 N -0.76 7.10 0.19 4.52 0.01 -1.26 -5.05 113.70 118.44 1i16 s SER 21 Ca 0.44 1.44 -0.16 0.00 1.31 0.00 0.00 55.95 58.98 1i16 s SER 21 Cb 0.37 -2.43 -0.08 0.00 0.21 0.00 0.00 66.02 64.09 1i16 s SER 21 CO 0.08 0.06 0.62 -0.69 0.41 0.00 0.00 173.24 173.72 1i16 s VAL 22 N -1.47 4.75 -1.27 3.43 1.01 -1.26 -4.97 120.40 120.62 1i16 s VAL 22 Ca 0.42 0.98 -0.19 0.00 0.00 0.00 0.00 61.98 63.18 1i16 s VAL 22 Cb -0.17 -3.76 0.02 0.00 0.00 0.00 0.00 36.38 32.47 1i16 s VAL 22 CO 0.21 0.19 1.81 1.21 0.00 0.00 0.00 175.10 178.52 1i16 n GLU 23 N 0.65 2.73 0.00 2.72 2.13 -1.26 -4.29 120.64 123.32 1i16 n GLU 23 Ca -0.03 -3.02 0.00 0.00 0.66 0.00 0.00 57.16 54.76 1i16 n GLU 23 Cb 0.52 -3.55 0.00 0.00 0.27 0.00 0.00 31.44 28.67 1i16 n GLU 23 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1i16 n SER 24 N 9.97 0.00 -3.63 4.31 7.64 -1.26 -5.14 113.62 125.51 1i16 n SER 24 Ca 0.48 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 60.21 1i16 n SER 24 Cb 0.46 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.58 1i16 n SER 24 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 1i16 s THR 25 N 0.00 0.01 -0.03 0.44 -4.23 -1.26 -5.10 115.64 105.47 1i16 s THR 25 Ca 0.00 -0.07 -0.21 0.00 -1.18 0.00 0.00 61.69 60.23 1i16 s THR 25 Cb 0.00 -0.86 0.04 0.00 1.34 0.00 0.00 72.50 73.02 1i16 s THR 25 CO 0.00 -0.04 0.46 0.00 -0.54 0.00 0.00 174.62 174.50 1i16 s ALA 26 N -0.43 -1.19 -0.61 3.99 0.00 -1.26 -4.86 121.76 117.41 1i16 s ALA 26 Ca -0.06 0.74 0.00 0.00 0.00 0.00 0.00 51.96 52.65 1i16 s ALA 26 Cb -0.03 0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.12 1i16 s ALA 26 CO 0.04 -0.30 0.00 0.39 0.00 0.00 0.00 175.76 175.89 1i16 n GLU 27 N 1.16 -2.13 -0.71 0.00 1.02 -1.26 -4.37 120.64 114.34 1i16 n GLU 27 Ca -0.20 0.34 0.09 0.00 -0.02 0.00 0.00 57.16 57.37 1i16 n GLU 27 Cb 0.56 -4.76 -0.04 0.00 -0.02 0.00 0.00 31.44 27.18 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 -1.69 -1.86 -3.33 0.62 0.00 -1.26 -4.93 120.51 108.06 1i16 n ALA 28 Ca -0.07 0.41 -0.27 0.00 0.00 0.00 0.00 53.44 53.50 1i16 n ALA 28 Cb 0.45 -0.75 -0.17 0.00 0.00 0.00 0.00 19.45 18.99 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 -3.14 1.46 0.01 0.00 -4.23 -1.08 -4.98 115.64 103.67 1i16 s THR 29 Ca 0.00 -0.68 0.01 0.00 -1.18 0.00 0.00 61.69 59.84 1i16 s THR 29 Cb 0.00 -1.30 -0.04 0.00 1.34 0.00 0.00 72.50 72.51 1i16 s THR 29 CO 0.00 0.43 0.04 -0.69 -0.54 0.00 0.00 174.62 173.86 1i16 s VAL 30 N 0.50 4.41 -0.46 2.29 1.01 -1.26 -1.37 120.40 125.52 1i16 s VAL 30 Ca -0.15 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.31 1i16 s VAL 30 Cb -0.16 -3.00 0.16 0.00 0.00 0.00 0.00 36.38 33.37 1i16 s VAL 30 CO 0.05 0.34 0.32 0.00 0.00 0.00 0.00 175.10 175.81 1i16 s THR 32 N 0.06 3.11 0.05 0.00 2.01 -1.26 -3.46 115.64 116.15 1i16 s THR 32 Ca 0.25 0.66 -0.00 0.00 0.31 0.00 0.00 61.69 62.91 1i16 s THR 32 Cb -0.09 -3.42 -0.03 0.00 0.01 0.00 0.00 72.50 68.96 1i16 s THR 32 CO -0.11 0.02 -0.04 0.68 -0.69 0.00 0.00 174.62 174.48 1i16 s VAL 33 N 2.03 0.26 -0.11 3.82 -7.23 0.28 -4.94 120.40 114.52 1i16 s VAL 33 Ca 0.70 -1.57 0.00 0.00 -1.81 0.00 0.00 61.98 59.30 1i16 s VAL 33 Cb -0.39 -1.18 -0.02 0.00 0.56 0.00 0.00 36.38 35.35 1i16 s VAL 33 CO 0.31 -0.83 -0.10 0.42 -0.31 0.00 0.00 175.10 174.58 1i16 s THR 34 N -3.15 3.36 -0.63 5.32 -4.23 -1.26 0.30 115.64 115.35 1i16 s THR 34 Ca 0.01 -0.58 0.06 0.00 -1.18 0.00 0.00 61.69 60.00 1i16 s THR 34 Cb 0.02 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.74 1i16 s THR 34 CO -0.07 0.55 0.82 0.18 -0.54 0.00 0.00 174.62 175.56 1i16 n LEU 35 N 3.01 4.02 0.00 4.79 4.77 0.28 -4.62 117.00 129.25 1i16 n LEU 35 Ca -0.18 -5.52 0.00 0.00 -0.03 0.00 0.00 56.01 50.29 1i16 n LEU 35 Cb 0.53 -0.65 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 1i16 n LEU 35 CO 0.29 2.14 0.00 -1.84 -1.33 0.00 0.00 177.39 176.65 1i16 n GLU 36 N 0.53 0.00 -2.65 3.23 0.28 -1.26 -4.42 120.64 116.36 1i16 n GLU 36 Ca 0.30 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.88 1i16 n GLU 36 Cb 0.40 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.25 1i16 n GLU 36 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1i16 s LYS 37 N 0.00 4.46 0.00 3.44 1.02 0.22 -4.67 119.74 124.21 1i16 s LYS 37 Ca 0.00 1.47 0.00 0.00 0.02 0.00 0.00 55.97 57.46 1i16 s LYS 37 Cb 0.00 -3.50 0.00 0.00 -0.52 0.00 0.00 37.83 33.81 1i16 s LYS 37 CO 0.00 -0.24 0.00 -1.33 -0.92 0.00 0.00 175.35 172.86 1i16 n MET 38 N 4.60 0.00 -4.03 1.68 2.81 -1.26 -3.67 117.12 117.24 1i16 n MET 38 Ca 0.08 0.00 -0.08 0.00 -1.81 0.00 0.00 57.70 55.90 1i16 n MET 38 Cb 0.49 0.00 -0.09 0.00 -0.71 0.00 0.00 33.22 32.90 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 -0.04 0.39 0.00 7.83 1.04 -1.26 -4.80 113.70 116.86 1i16 s SER 39 Ca 0.00 -0.89 0.00 0.00 0.48 0.00 0.00 55.95 55.54 1i16 s SER 39 Cb 0.00 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.34 1i16 s SER 39 CO 0.00 -0.61 0.00 0.00 0.98 0.00 0.00 173.24 173.61 1i16 n ALA 40 N 0.17 0.00 -2.27 5.32 0.00 -1.26 -4.17 120.51 118.31 1i16 n ALA 40 Ca -0.15 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.28 1i16 n ALA 40 Cb 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.92 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 -2.00 -2.88 1.74 0.00 0.00 -1.26 -3.38 105.19 97.41 1i16 n GLY 41 Ca 0.00 0.36 -0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 0.17 -0.01 -0.30 0.99 4.77 -1.26 0.47 117.00 121.82 1i16 n LEU 42 Ca 0.02 0.25 -0.03 0.00 -0.03 0.00 0.00 56.01 56.22 1i16 n LEU 42 Cb 0.09 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.41 1i16 n LEU 42 CO 0.28 -0.00 -0.03 0.61 -1.33 0.00 0.00 177.39 176.92 1i16 n GLY 43 N -0.25 0.30 3.03 -0.72 0.00 -1.22 -4.78 105.19 101.55 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 -1.02 0.05 -0.04 1.61 -0.12 0.18 0.27 117.98 118.91 1i16 s PHE 44 Ca 0.00 -0.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.81 1i16 s PHE 44 Cb 0.00 -0.06 -0.02 0.00 -0.63 0.00 0.00 43.02 42.31 1i16 s PHE 44 CO 0.00 -0.18 -0.17 -1.54 -0.05 0.00 0.00 175.22 173.28 1i16 s SER 45 N -0.92 3.80 0.03 1.98 1.04 -0.68 -4.84 113.70 114.10 1i16 s SER 45 Ca -0.10 -0.26 -0.12 0.00 0.48 0.00 0.00 55.95 55.95 1i16 s SER 45 Cb -0.06 -0.74 -0.06 0.00 0.10 0.00 0.00 66.02 65.27 1i16 s SER 45 CO 0.00 0.34 0.38 -0.76 0.98 0.00 0.00 173.24 174.18 1i16 s LEU 46 N -0.69 4.41 -0.05 2.42 1.02 -1.26 -1.96 118.68 122.56 1i16 s LEU 46 Ca 0.11 0.83 0.02 0.00 0.02 0.00 0.00 54.13 55.11 1i16 s LEU 46 Cb -0.11 -2.73 0.01 0.00 0.02 0.00 0.00 46.19 43.39 1i16 s LEU 46 CO 0.00 0.26 -0.10 -1.61 0.02 0.00 0.00 176.35 174.92 1i16 s GLU 47 N -1.48 1.39 0.00 1.70 8.01 0.68 -4.82 118.70 124.18 1i16 s GLU 47 Ca 0.27 -0.35 0.00 0.00 0.01 0.00 0.00 54.97 54.91 1i16 s GLU 47 Cb -0.15 -1.21 0.00 0.00 -4.31 0.00 0.00 34.13 28.47 1i16 s GLU 47 CO 0.15 0.04 0.00 0.41 0.01 0.00 0.00 175.26 175.87 1i16 n GLY 48 N 3.70 -0.48 5.00 -1.39 0.00 -1.26 0.13 105.19 110.89 1i16 n GLY 48 Ca -0.22 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1i16 n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 49 N 0.00 0.27 2.55 -0.02 0.00 -1.25 -3.78 105.19 102.96 1i16 n GLY 49 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 4.15 0.00 1.61 2.85 -1.26 -4.54 118.16 120.97 1i16 n LYS 50 Ca 0.00 -3.47 0.00 0.00 -1.05 0.00 0.00 58.31 53.79 1i16 n LYS 50 Cb 0.00 -2.46 0.00 0.00 -0.65 0.00 0.00 35.03 31.92 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 1.00 -2.81 0.00 2.58 0.00 -1.25 -4.93 105.19 99.78 1i16 n GLY 51 Ca 0.56 0.56 0.00 0.00 0.00 0.00 0.00 46.02 47.13 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 -0.73 0.00 -0.04 1.61 7.64 -1.26 -5.03 113.62 115.81 1i16 n SER 52 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1i16 n SER 52 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 0.00 0.00 -0.01 -3.43 -0.00 -1.26 -4.82 117.00 107.49 1i16 n LEU 53 Ca 0.00 -0.11 0.09 0.00 -0.00 0.00 0.00 56.01 55.98 1i16 n LEU 53 Cb 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 43.42 43.29 1i16 n LEU 53 CO 0.00 0.06 -0.62 1.41 -0.00 0.00 0.00 177.39 178.25 1i16 n HIS 54 N 0.00 0.00 0.00 1.96 8.25 -1.26 -4.99 115.22 119.18 1i16 n HIS 54 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1i16 n HIS 54 Cb 0.51 -0.34 0.00 0.00 1.12 0.00 0.00 29.99 31.28 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 1.50 3.14 3.61 -1.41 0.00 -1.26 -5.03 105.19 105.73 1i16 n GLY 55 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1i16 n GLY 55 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1i16 s ASP 56 N -1.22 6.03 -0.43 1.61 -4.77 -1.26 -4.84 116.67 111.78 1i16 s ASP 56 Ca 0.00 1.41 0.02 0.00 -3.30 0.00 0.00 52.55 50.68 1i16 s ASP 56 Cb 0.00 -2.53 0.13 0.00 -1.09 0.00 0.00 42.92 39.44 1i16 s ASP 56 CO 0.00 -1.58 0.23 -1.59 0.70 0.00 0.00 175.17 172.93 1i16 s LYS 57 N 5.38 1.22 -1.30 2.11 0.00 -1.26 -3.94 119.74 121.94 1i16 s LYS 57 Ca 0.78 -1.93 -0.17 0.00 0.00 0.00 0.00 55.97 54.66 1i16 s LYS 57 Cb -0.24 -2.25 0.09 0.00 0.00 0.00 0.00 37.83 35.43 1i16 s LYS 57 CO 0.33 -1.16 1.75 -0.35 0.00 0.00 0.00 175.35 175.92 1i16 n PRO 58 N 3.62 3.20 -1.67 1.78 -0.04 -1.26 -3.94 135.00 136.69 1i16 n PRO 58 Ca 0.09 -3.31 -0.61 0.00 -0.04 0.00 0.00 63.50 59.62 1i16 n PRO 58 Cb 0.35 -3.38 -0.08 0.00 -0.04 0.00 0.00 33.50 30.34 1i16 n PRO 58 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 1i16 n LEU 59 N 7.54 1.34 -4.26 1.53 4.32 -1.26 -4.69 117.00 121.52 1i16 n LEU 59 Ca 0.47 1.14 -0.16 0.00 -0.02 0.00 0.00 56.01 57.44 1i16 n LEU 59 Cb 0.44 -1.00 -0.10 0.00 -1.62 0.00 0.00 43.42 41.14 1i16 n LEU 59 CO 0.76 -0.97 -0.43 0.42 -1.22 0.00 0.00 177.39 175.96 1i16 s THR 60 N 2.24 1.29 -0.12 -5.08 -4.23 0.35 -3.32 115.64 106.78 1i16 s THR 60 Ca 0.98 -1.94 -0.29 0.00 -1.18 0.00 0.00 61.69 59.26 1i16 s THR 60 Cb -1.27 -1.73 -0.02 0.00 1.34 0.00 0.00 72.50 70.82 1i16 s THR 60 CO 0.68 -0.60 1.22 -0.63 -0.54 0.00 0.00 174.62 174.75 1i16 s ILE 61 N -2.82 4.30 -0.20 2.99 1.01 -1.14 0.25 121.20 125.58 1i16 s ILE 61 Ca 0.14 1.59 -0.06 0.00 0.00 0.00 0.00 60.65 62.32 1i16 s ILE 61 Cb -0.01 -4.03 -0.10 0.00 0.01 0.00 0.00 42.46 38.33 1i16 s ILE 61 CO 0.02 -0.08 -0.23 0.59 0.00 0.00 0.00 174.94 175.24 1i16 n ASN 62 N 5.98 1.83 -4.14 3.58 5.03 -0.83 -0.53 115.26 126.19 1i16 n ASN 62 Ca 0.12 0.12 -0.36 0.00 0.87 0.00 0.00 54.58 55.34 1i16 n ASN 62 Cb 0.46 -0.50 -0.12 0.00 -1.02 0.00 0.00 39.78 38.59 1i16 n ASN 62 CO 0.00 0.00 0.00 -0.13 -1.83 0.00 0.00 177.26 175.30 1i16 s ARG 63 N -2.38 2.12 -0.04 3.52 0.52 -1.25 -4.89 118.95 116.55 1i16 s ARG 63 Ca -0.28 -1.63 -0.02 0.00 -0.52 0.00 0.00 55.73 53.27 1i16 s ARG 63 Cb 0.10 -3.44 -0.04 0.00 0.52 0.00 0.00 34.95 32.08 1i16 s ARG 63 CO 0.39 -0.92 0.11 0.42 0.02 0.00 0.00 175.30 175.33 1i16 s ILE 64 N 1.17 5.01 0.42 1.52 1.01 -1.26 -1.69 121.20 127.38 1i16 s ILE 64 Ca 0.04 -0.20 0.07 0.00 0.00 0.00 0.00 60.65 60.56 1i16 s ILE 64 Cb -0.22 -3.26 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1i16 s ILE 64 CO -0.03 0.43 0.29 -0.36 0.00 0.00 0.00 174.94 175.26 1i16 s PHE 65 N -1.15 2.63 -0.14 3.97 0.08 0.78 -4.96 117.98 119.19 1i16 s PHE 65 Ca 0.21 -0.55 -0.06 0.00 0.12 0.00 0.00 56.93 56.65 1i16 s PHE 65 Cb -0.12 -2.07 -0.04 0.00 -0.57 0.00 0.00 43.02 40.22 1i16 s PHE 65 CO 0.12 0.01 0.07 0.21 -0.10 0.00 0.00 175.22 175.53 1i16 s LYS 66 N -4.03 3.57 0.00 0.44 2.20 -1.26 -4.44 119.74 116.23 1i16 s LYS 66 Ca 0.44 -0.29 0.00 0.00 -0.36 0.00 0.00 55.97 55.77 1i16 s LYS 66 Cb 0.00 -3.11 0.00 0.00 -1.51 0.00 0.00 37.83 33.21 1i16 s LYS 66 CO 0.25 0.54 0.00 0.41 -0.36 0.00 0.00 175.35 176.19 1i16 n GLY 67 N 2.70 0.69 3.56 5.54 0.00 -1.26 -5.04 105.19 111.38 1i16 n GLY 67 Ca -0.18 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.76 2.47 -0.26 4.61 0.00 -1.26 -4.85 121.76 121.70 1i16 s ALA 68 Ca 0.00 -2.10 -0.38 0.00 0.00 0.00 0.00 51.96 49.49 1i16 s ALA 68 Cb 0.00 -4.54 0.15 0.00 0.00 0.00 0.00 23.12 18.73 1i16 s ALA 68 CO 0.00 -3.90 1.34 0.00 0.00 0.00 0.00 175.76 173.19 1i16 s ALA 69 N 6.20 -2.17 0.00 0.00 0.00 -1.26 -4.87 121.76 119.66 1i16 s ALA 69 Ca 0.52 1.84 0.00 0.00 0.00 0.00 0.00 51.96 54.32 1i16 s ALA 69 Cb -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 23.12 22.77 1i16 s ALA 69 CO -0.07 -0.55 0.49 0.45 0.00 0.00 0.00 175.76 176.07 1i16 n SER 70 N -0.02 -0.46 0.00 0.00 2.88 -1.26 -4.92 113.62 109.83 1i16 n SER 70 Ca 0.04 -0.97 0.00 0.00 -1.33 0.00 0.00 58.87 56.61 1i16 n SER 70 Cb 0.57 0.14 0.00 0.00 -0.75 0.00 0.00 64.21 64.16 1i16 n SER 70 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1i16 n GLU 71 N 0.00 0.00 -3.82 -1.46 2.13 -1.26 -5.13 120.64 111.10 1i16 n GLU 71 Ca -0.13 0.00 -0.08 0.00 0.66 0.00 0.00 57.16 57.61 1i16 n GLU 71 Cb 0.46 -0.38 0.01 0.00 0.27 0.00 0.00 31.44 31.80 1i16 n GLU 71 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 1i16 s GLN 72 N -1.17 2.09 -0.28 5.31 -2.07 -1.26 -5.02 119.66 117.26 1i16 s GLN 72 Ca 0.00 -1.30 -0.01 0.00 -1.82 0.00 0.00 55.36 52.24 1i16 s GLN 72 Cb 0.00 0.62 0.19 0.00 -1.09 0.00 0.00 33.01 32.73 1i16 s GLN 72 CO 0.00 -0.97 1.99 0.43 -1.32 0.00 0.00 175.29 175.42 1i16 n SER 73 N -1.13 6.24 -2.67 12.60 7.64 -1.26 -4.00 113.62 131.05 1i16 n SER 73 Ca -0.07 -2.99 -0.05 0.00 1.01 0.00 0.00 58.87 56.78 1i16 n SER 73 Cb 0.60 -1.05 0.12 0.00 -1.01 0.00 0.00 64.21 62.86 1i16 n SER 73 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 1i16 n GLU 74 N 0.45 1.22 -0.65 1.43 2.13 -1.26 -4.95 120.64 119.01 1i16 n GLU 74 Ca 0.27 -1.51 -0.06 0.00 0.66 0.00 0.00 57.16 56.52 1i16 n GLU 74 Cb 0.58 0.16 0.17 0.00 0.27 0.00 0.00 31.44 32.62 1i16 n GLU 74 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1i16 n THR 75 N -0.99 2.03 -3.74 6.31 -2.24 -1.26 -4.87 114.28 109.53 1i16 n THR 75 Ca -0.10 -1.01 -0.10 0.00 -2.27 0.00 0.00 64.05 60.57 1i16 n THR 75 Cb 0.85 -0.53 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1i16 s VAL 76 N -2.03 0.04 -0.11 2.28 -7.23 -1.26 -4.87 120.40 107.22 1i16 s VAL 76 Ca 0.34 -0.80 -0.13 0.00 -1.81 0.00 0.00 61.98 59.57 1i16 s VAL 76 Cb 0.27 -1.54 0.03 0.00 0.56 0.00 0.00 36.38 35.71 1i16 s VAL 76 CO 0.08 -0.17 0.35 0.00 -0.31 0.00 0.00 175.10 175.06 1i16 s GLN 77 N -3.87 0.47 -0.11 4.82 0.00 -1.26 -5.12 119.66 114.59 1i16 s GLN 77 Ca 0.09 0.36 -0.30 0.00 -0.00 0.00 0.00 55.36 55.52 1i16 s GLN 77 Cb -0.00 0.22 -0.01 0.00 0.00 0.00 0.00 33.01 33.22 1i16 s GLN 77 CO -0.04 -0.08 1.01 -1.25 0.00 0.00 0.00 175.29 174.93 1i16 s PRO 78 N -0.11 4.41 -1.56 9.60 0.04 -1.26 -3.62 135.00 142.50 1i16 s PRO 78 Ca -0.03 1.40 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1i16 s PRO 78 Cb -0.03 -3.55 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1i16 s PRO 78 CO 0.01 -0.33 0.00 0.41 0.04 0.00 0.00 177.00 177.13 1i16 n GLY 79 N 3.11 1.46 3.77 0.56 0.00 0.31 -4.91 105.19 109.48 1i16 n GLY 79 Ca 0.09 -0.15 -0.37 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.68 5.96 -1.39 1.61 1.47 -1.24 -4.68 116.67 115.73 1i16 s ASP 80 Ca 0.00 2.30 -0.08 0.00 1.18 0.00 0.00 52.55 55.95 1i16 s ASP 80 Cb 0.00 -2.60 0.08 0.00 -0.34 0.00 0.00 42.92 40.06 1i16 s ASP 80 CO 0.00 -1.06 2.35 1.21 0.68 0.00 0.00 175.17 178.36 1i16 n GLU 81 N -0.77 3.98 -1.68 2.11 2.13 -1.26 -2.88 120.64 122.27 1i16 n GLU 81 Ca 0.09 -3.13 -0.45 0.00 0.66 0.00 0.00 57.16 54.32 1i16 n GLU 81 Cb 0.49 -2.81 -0.04 0.00 0.27 0.00 0.00 31.44 29.35 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 2.88 0.25 0.01 6.31 5.41 -1.21 -4.10 119.36 128.90 1i16 n ILE 82 Ca 0.59 -0.04 -0.19 0.00 1.00 0.00 0.00 62.75 64.10 1i16 n ILE 82 Cb 0.29 -1.81 -0.14 0.00 -0.71 0.00 0.00 39.64 37.26 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 7.52 0.37 -7.46 1.39 4.07 -1.80 -3.43 115.31 115.97 1i16 h LEU 83 Ca -0.46 -0.78 -0.11 0.00 0.08 0.00 0.00 57.88 56.60 1i16 h LEU 83 Cb 1.25 -0.12 -0.20 0.00 1.08 0.00 0.00 40.66 42.66 1i16 h LEU 83 CO 0.92 1.70 -0.24 0.00 -1.08 0.00 0.00 178.44 179.74 1i16 s GLN 84 N -2.57 0.68 0.49 1.13 -2.07 -1.26 0.10 119.66 116.17 1i16 s GLN 84 Ca -0.18 -0.12 0.07 0.00 -1.82 0.00 0.00 55.36 53.31 1i16 s GLN 84 Cb 0.07 0.31 0.02 0.00 -1.09 0.00 0.00 33.01 32.31 1i16 s GLN 84 CO 0.79 -0.19 0.43 -0.51 -1.32 0.00 0.00 175.29 174.49 1i16 s LEU 85 N -1.22 3.03 0.62 2.60 1.02 0.39 -2.95 118.68 122.16 1i16 s LEU 85 Ca -0.13 -1.00 0.24 0.00 0.02 0.00 0.00 54.13 53.26 1i16 s LEU 85 Cb -0.05 -1.58 1.00 0.00 0.02 0.00 0.00 46.19 45.58 1i16 s LEU 85 CO 0.04 -0.93 1.46 1.23 0.02 0.00 0.00 176.35 178.18 1i16 h GLY 86 N 0.83 0.00 -5.14 -3.19 0.00 -0.54 -2.66 103.07 92.36 1i16 h GLY 86 Ca -0.38 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 46.65 1i16 h GLY 86 CO 0.56 0.00 -0.70 0.61 0.00 0.00 0.00 176.54 177.01 1i16 n GLY 87 N -1.59 1.53 3.64 4.60 0.00 -1.26 -4.76 105.19 107.35 1i16 n GLY 87 Ca 0.14 -0.60 -0.03 0.00 0.00 0.00 0.00 46.02 45.53 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 -0.99 0.00 -0.08 2.61 -1.32 -1.00 -4.02 115.64 110.84 1i16 s THR 88 Ca 0.26 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.73 1i16 s THR 88 Cb 0.38 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.40 1i16 s THR 88 CO -0.05 0.00 -0.02 0.00 -2.21 0.00 0.00 174.62 172.35 1i16 s ALA 89 N -0.95 0.83 -1.05 11.08 0.00 -1.26 0.15 121.76 130.55 1i16 s ALA 89 Ca 0.08 -0.21 0.19 0.00 0.00 0.00 0.00 51.96 52.01 1i16 s ALA 89 Cb -0.01 -0.77 0.81 0.00 0.00 0.00 0.00 23.12 23.15 1i16 s ALA 89 CO -0.07 -0.43 1.59 0.00 0.00 0.00 0.00 175.76 176.85 1i16 n MET 90 N 5.05 0.03 -2.08 0.00 0.00 0.12 -4.50 117.12 115.74 1i16 n MET 90 Ca -0.09 0.17 -0.34 0.00 0.00 0.00 0.00 57.70 57.44 1i16 n MET 90 Cb 0.50 -1.50 0.01 0.00 0.00 0.00 0.00 33.22 32.23 1i16 n MET 90 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 175.97 175.32 1i16 s GLN 91 N -2.95 3.21 -1.79 3.17 -0.21 -1.26 -2.53 119.66 117.30 1i16 s GLN 91 Ca 0.10 1.44 -0.21 0.00 0.02 0.00 0.00 55.36 56.71 1i16 s GLN 91 Cb 0.12 -2.00 0.19 0.00 1.00 0.00 0.00 33.01 32.32 1i16 s GLN 91 CO 0.33 -0.93 0.67 0.41 -2.12 0.00 0.00 175.29 173.65 1i16 n GLY 92 N -0.32 -0.41 3.45 3.09 0.00 -1.26 -4.87 105.19 104.86 1i16 n GLY 92 Ca 0.10 0.10 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1i16 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1i16 s LEU 93 N -7.26 -0.24 0.00 0.99 1.43 -1.05 -5.09 118.68 107.46 1i16 s LEU 93 Ca 0.77 0.62 0.00 0.00 -1.03 0.00 0.00 54.13 54.48 1i16 s LEU 93 Cb -0.43 2.16 0.00 0.00 0.03 0.00 0.00 46.19 47.95 1i16 s LEU 93 CO 0.98 -0.52 0.00 0.41 0.23 0.00 0.00 176.35 177.45 1i16 n THR 94 N 1.21 0.00 -0.01 5.49 -1.04 -1.26 -4.62 114.28 114.04 1i16 n THR 94 Ca -0.19 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 61.82 1i16 n THR 94 Cb 0.57 -1.53 -0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1i16 n THR 94 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1i16 h ARG 95 N 0.00 -0.02 -0.75 -2.82 1.12 -1.84 -2.78 114.38 107.28 1i16 h ARG 95 Ca 0.00 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 58.89 1i16 h ARG 95 Cb 0.00 0.01 -0.04 0.00 -0.01 0.00 0.00 29.97 29.93 1i16 h ARG 95 CO 0.00 -0.02 0.50 0.74 -3.11 0.00 0.00 179.97 178.08 1i16 h PHE 96 N -0.51 0.91 -0.22 2.20 -1.00 -1.87 -0.67 116.94 115.78 1i16 h PHE 96 Ca -0.00 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.80 1i16 h PHE 96 Cb 0.02 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.26 1i16 h PHE 96 CO 0.00 0.55 0.13 0.93 -1.61 0.00 0.00 178.31 178.31 1i16 h GLU 97 N 0.96 0.30 0.40 1.51 4.39 -1.96 -1.16 114.58 119.02 1i16 h GLU 97 Ca 0.29 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.94 1i16 h GLU 97 Cb -0.02 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 28.57 1i16 h GLU 97 CO -0.07 0.26 -0.19 0.00 -1.16 0.00 0.00 179.01 177.85 1i16 h ALA 98 N 1.02 -0.54 -0.10 3.43 0.00 -1.12 -2.97 119.26 118.99 1i16 h ALA 98 Ca 0.08 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1i16 h ALA 98 Cb 0.05 0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1i16 h ALA 98 CO -0.01 -0.63 0.21 2.35 0.00 0.00 0.00 179.25 181.17 1i16 h TRP 99 N -0.88 0.00 0.03 0.00 -0.00 -1.14 -2.52 115.95 111.44 1i16 h TRP 99 Ca -0.05 0.00 -0.08 0.00 -0.00 0.00 0.00 58.89 58.75 1i16 h TRP 99 Cb 0.55 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.72 1i16 h TRP 99 CO 0.02 0.00 -0.34 -0.91 -0.00 0.00 0.00 178.44 177.21 1i16 h ASN 100 N 0.00 0.24 -0.96 2.65 2.35 -1.06 -3.26 115.58 115.55 1i16 h ASN 100 Ca 0.05 -0.87 0.19 0.00 -0.55 0.00 0.00 56.30 55.12 1i16 h ASN 100 Cb 0.47 -0.08 -0.09 0.00 0.05 0.00 0.00 38.32 38.68 1i16 h ASN 100 CO -0.00 1.09 0.61 0.40 -1.65 0.00 0.00 177.43 177.88 1i16 h ILE 101 N -0.57 0.72 0.57 2.81 5.03 -1.31 -2.15 117.51 122.60 1i16 h ILE 101 Ca -0.05 -0.22 -0.02 0.00 -0.12 0.00 0.00 64.86 64.45 1i16 h ILE 101 Cb 1.17 0.03 -0.00 0.00 -3.03 0.00 0.00 36.82 34.98 1i16 h ILE 101 CO 0.07 0.12 -0.37 0.40 -0.68 0.00 0.00 178.15 177.68 1i16 h ILE 102 N 0.64 0.00 -1.07 -0.67 5.03 -1.60 -1.94 117.51 117.89 1i16 h ILE 102 Ca 0.52 0.00 0.34 0.00 -0.12 0.00 0.00 64.86 65.60 1i16 h ILE 102 Cb 0.97 0.00 -0.14 0.00 -3.03 0.00 0.00 36.82 34.62 1i16 h ILE 102 CO -0.28 0.00 0.64 0.11 -0.68 0.00 0.00 178.15 177.94 1i16 h LYS 103 N -0.88 0.27 -0.18 2.37 1.57 -1.44 0.76 116.57 119.03 1i16 h LYS 103 Ca -0.08 -0.02 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 1i16 h LYS 103 Cb 0.71 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1i16 h LYS 103 CO 0.06 0.18 -0.10 0.00 -0.57 0.00 0.00 179.45 179.02 1i16 h ALA 104 N 1.77 1.51 -1.77 3.86 0.00 -0.92 -3.44 119.26 120.27 1i16 h ALA 104 Ca 0.74 -0.19 -0.37 0.00 0.00 0.00 0.00 54.91 55.09 1i16 h ALA 104 Cb 1.85 -0.09 0.20 0.00 0.00 0.00 0.00 17.79 19.74 1i16 h ALA 104 CO -0.53 0.35 -0.44 1.28 0.00 0.00 0.00 179.25 179.91 1i16 n LEU 105 N -4.29 -1.50 0.00 0.00 7.99 0.26 -5.01 117.00 114.46 1i16 n LEU 105 Ca -0.00 -0.40 -0.25 0.00 -0.01 0.00 0.00 56.01 55.34 1i16 n LEU 105 Cb 0.25 -0.97 0.16 0.00 -0.11 0.00 0.00 43.42 42.76 1i16 n LEU 105 CO 0.38 -3.57 0.72 -0.81 -1.51 0.00 0.00 177.39 172.59 1i16 n PRO 106 N -3.51 -0.82 -3.18 3.23 -0.04 -1.26 -5.00 135.00 124.42 1i16 n PRO 106 Ca 0.05 -2.11 -0.45 0.00 -0.04 0.00 0.00 63.50 60.95 1i16 n PRO 106 Cb 0.53 -1.05 -0.01 0.00 -0.04 0.00 0.00 33.50 32.93 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 -5.26 6.95 0.00 3.54 1.01 -1.26 -4.76 116.67 116.90 1i16 s ASP 107 Ca 0.67 -2.87 0.00 0.00 0.71 0.00 0.00 52.55 51.06 1i16 s ASP 107 Cb -0.02 -2.28 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1i16 s ASP 107 CO 0.46 -0.63 0.00 0.61 0.21 0.00 0.00 175.17 175.82 1i16 n GLY 108 N 3.96 5.36 3.55 0.21 0.00 -1.24 -4.76 105.19 112.27 1i16 n GLY 108 Ca 0.23 -1.15 -0.41 0.00 0.00 0.00 0.00 46.02 44.69 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 1.92 3.12 -0.54 1.61 0.04 -1.26 0.68 135.00 140.57 1i16 s PRO 109 Ca 0.00 -0.06 -0.23 0.00 0.04 0.00 0.00 61.00 60.75 1i16 s PRO 109 Cb 0.00 -4.20 0.04 0.00 0.04 0.00 0.00 34.50 30.38 1i16 s PRO 109 CO 0.00 -2.22 0.88 0.54 0.04 0.00 0.00 177.00 176.24 1i16 s VAL 110 N 6.25 4.49 -0.19 -0.36 0.11 -1.26 -4.78 120.40 124.66 1i16 s VAL 110 Ca 0.41 0.17 -0.22 0.00 -2.93 0.00 0.00 61.98 59.41 1i16 s VAL 110 Cb -0.09 -4.49 -0.02 0.00 -1.53 0.00 0.00 36.38 30.25 1i16 s VAL 110 CO 0.17 -1.04 0.68 -0.89 -3.33 0.00 0.00 175.10 170.69 1i16 s THR 111 N 3.69 4.99 0.19 5.04 2.01 -1.26 0.98 115.64 131.28 1i16 s THR 111 Ca 0.28 1.30 0.06 0.00 0.31 0.00 0.00 61.69 63.64 1i16 s THR 111 Cb -0.14 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1i16 s THR 111 CO 0.18 0.09 0.16 0.27 -0.69 0.00 0.00 174.62 174.64 1i16 s ILE 112 N 1.95 4.51 -0.37 1.82 -4.36 0.87 0.12 121.20 125.74 1i16 s ILE 112 Ca 0.31 -1.17 0.01 0.00 -0.26 0.00 0.00 60.65 59.54 1i16 s ILE 112 Cb -0.16 -3.34 0.12 0.00 1.25 0.00 0.00 42.46 40.32 1i16 s ILE 112 CO 0.11 -0.19 0.16 -0.69 0.24 0.00 0.00 174.94 174.57 1i16 s VAL 113 N -1.87 1.18 -0.18 8.37 1.01 -1.15 -0.56 120.40 127.19 1i16 s VAL 113 Ca 0.32 -1.96 -0.15 0.00 0.00 0.00 0.00 61.98 60.18 1i16 s VAL 113 Cb -0.09 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.38 1i16 s VAL 113 CO 0.24 -0.77 0.36 0.27 0.00 0.00 0.00 175.10 175.20 1i16 s ILE 114 N 1.02 5.24 -0.28 2.22 -5.25 -1.22 -2.64 121.20 120.28 1i16 s ILE 114 Ca 0.13 0.66 0.01 0.00 -0.99 0.00 0.00 60.65 60.46 1i16 s ILE 114 Cb -0.21 -3.70 0.08 0.00 2.95 0.00 0.00 42.46 41.59 1i16 s ILE 114 CO -0.12 0.30 0.01 -0.60 -1.79 0.00 0.00 174.94 172.74 1i16 s ARG 115 N 0.98 1.38 0.00 0.37 3.52 -1.26 0.31 118.95 124.26 1i16 s ARG 115 Ca 0.18 -1.24 0.00 0.00 -0.13 0.00 0.00 55.73 54.55 1i16 s ARG 115 Cb -0.14 -2.61 0.00 0.00 -1.56 0.00 0.00 34.95 30.64 1i16 s ARG 115 CO 0.07 -0.77 0.00 0.54 -0.81 0.00 0.00 175.30 174.33 1i16 n ARG 116 N 4.60 1.20 0.00 5.12 1.74 -0.47 -4.19 116.66 124.66 1i16 n ARG 116 Ca -0.06 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.02 1i16 n ARG 116 Cb 0.43 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.87 1i16 n ARG 116 CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 1i16 n LYS 117 N -0.77 0.00 -0.64 5.56 2.85 -1.26 -2.62 118.16 121.28 1i16 n LYS 117 Ca 0.00 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.35 1i16 n LYS 117 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1i16 n LYS 117 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 177.40 177.80 1i16 n SER 118 N 0.00 -5.00 -4.72 -5.58 2.88 -1.26 -4.51 113.62 95.44 1i16 n SER 118 Ca 0.00 0.69 -0.42 0.00 -1.33 0.00 0.00 58.87 57.81 1i16 n SER 118 Cb 0.00 -2.06 -0.04 0.00 -0.75 0.00 0.00 64.21 61.36 1i16 n SER 118 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1i16 s LEU 119 N 0.00 4.42 0.00 2.46 2.34 -1.26 -4.86 118.68 121.78 1i16 s LEU 119 Ca 0.00 1.70 0.00 0.00 0.06 0.00 0.00 54.13 55.89 1i16 s LEU 119 Cb 0.00 -3.57 0.00 0.00 -0.56 0.00 0.00 46.19 42.06 1i16 s LEU 119 CO 0.00 -0.18 0.00 1.67 -1.06 0.00 0.00 176.35 176.78 1i16 n GLN 120 N 3.46 0.00 0.00 1.48 -0.06 -1.26 -4.58 117.38 116.42 1i16 n GLN 120 Ca 0.04 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.04 1i16 n GLN 120 Cb 0.50 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.68 1i16 n GLN 120 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1i16 n SER 121 N -3.58 0.00 -0.44 1.69 7.64 -1.26 -4.67 113.62 113.00 1i16 n SER 121 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1i16 n SER 121 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1i16 n SER 121 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1i16 n LYS 122 N -0.14 -1.24 0.15 1.43 3.00 -1.26 -4.98 118.16 115.13 1i16 n LYS 122 Ca 0.00 0.89 0.00 0.00 -0.00 0.00 0.00 58.31 59.20 1i16 n LYS 122 Cb 0.00 -0.99 0.00 0.00 0.00 0.00 0.00 35.03 34.04 1i16 n LYS 122 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1i16 n GLU 123 N -0.33 0.00 -2.50 1.64 0.28 -1.26 -5.03 120.64 113.44 1i16 n GLU 123 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1i16 n GLU 123 Cb 0.00 0.00 0.10 0.00 1.43 0.00 0.00 31.44 32.97 1i16 n GLU 123 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 1i16 n THR 124 N -3.17 0.00 -0.39 3.84 5.66 -1.26 -5.14 114.28 113.82 1i16 n THR 124 Ca 0.00 -0.93 -0.27 0.00 -3.05 0.00 0.00 64.05 59.80 1i16 n THR 124 Cb 0.00 0.89 0.24 0.00 -1.55 0.00 0.00 70.33 69.91 1i16 n THR 124 CO 0.00 0.00 0.00 1.07 -3.05 0.00 0.00 175.07 173.09 1i16 n THR 125 N -1.03 0.00 -3.75 1.09 5.66 -1.26 -4.95 114.28 110.05 1i16 n THR 125 Ca -0.13 -0.12 -0.38 0.00 -3.05 0.00 0.00 64.05 60.38 1i16 n THR 125 Cb 0.80 -0.81 -0.12 0.00 -1.55 0.00 0.00 70.33 68.65 1i16 n THR 125 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1i16 s ALA 126 N -2.15 3.09 0.42 1.79 0.00 -1.26 -5.08 121.76 118.57 1i16 s ALA 126 Ca 0.57 -2.02 0.07 0.00 0.00 0.00 0.00 51.96 50.59 1i16 s ALA 126 Cb -0.12 -2.34 -0.03 0.00 0.00 0.00 0.00 23.12 20.63 1i16 s ALA 126 CO 0.52 -1.50 0.30 0.00 0.00 0.00 0.00 175.76 175.07 1i16 s ALA 127 N 1.33 3.89 -0.35 0.00 0.00 -1.26 -5.08 121.76 120.28 1i16 s ALA 127 Ca 0.01 -1.94 0.01 0.00 0.00 0.00 0.00 51.96 50.04 1i16 s ALA 127 Cb -0.21 -0.73 0.29 0.00 0.00 0.00 0.00 23.12 22.47 1i16 s ALA 127 CO 0.00 -0.21 1.26 0.41 0.00 0.00 0.00 175.76 177.22 1i16 n GLY 128 N -1.43 -1.34 2.90 0.00 0.00 -1.26 -5.14 105.19 98.92 1i16 n GLY 128 Ca 0.01 0.81 -0.20 0.00 0.00 0.00 0.00 46.02 46.64 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 -0.43 0.97 0.00 1.61 1.47 -1.26 -5.38 116.67 113.65 1i16 s ASP 129 Ca 0.24 -0.14 0.00 0.00 1.18 0.00 0.00 52.55 53.83 1i16 s ASP 129 Cb 0.25 -0.47 0.00 0.00 -0.34 0.00 0.00 42.92 42.36 1i16 s ASP 129 CO -0.14 -0.05 0.00 -1.20 0.68 0.00 0.00 175.17 174.47