#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 4.42 0.00 0.03 0.04 -1.26 -4.70 135.00 133.53 1i16 s PRO 2 Ca 0.00 1.46 0.00 0.00 0.04 0.00 0.00 61.00 62.50 1i16 s PRO 2 Cb 0.00 -3.53 0.00 0.00 0.04 0.00 0.00 34.50 31.01 1i16 s PRO 2 CO 0.00 -0.31 0.00 -3.47 0.04 0.00 0.00 177.00 173.26 1i16 n ASP 3 N 4.90 0.00 0.06 6.66 2.03 -1.26 -4.98 116.55 123.96 1i16 n ASP 3 Ca 0.09 0.00 -0.23 0.00 0.52 0.00 0.00 54.79 55.17 1i16 n ASP 3 Cb 0.48 0.09 -0.15 0.00 -0.72 0.00 0.00 41.12 40.83 1i16 n ASP 3 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 1i16 h LEU 4 N 0.00 0.59 0.00 -2.67 3.38 -2.12 -3.46 115.31 111.03 1i16 h LEU 4 Ca 0.00 -0.94 0.00 0.00 0.09 0.00 0.00 57.88 57.03 1i16 h LEU 4 Cb 0.00 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.56 1i16 h LEU 4 CO 0.00 1.81 0.00 -0.46 0.09 0.00 0.00 178.44 179.88 1i16 n ASN 5 N -3.58 0.00 -2.53 -0.43 6.94 -1.26 -5.10 115.26 109.31 1i16 n ASN 5 Ca -0.26 0.00 -0.12 0.00 -0.02 0.00 0.00 54.58 54.18 1i16 n ASN 5 Cb 1.07 0.00 -0.03 0.00 -2.36 0.00 0.00 39.78 38.46 1i16 n ASN 5 CO 0.00 0.00 0.00 -1.20 -1.03 0.00 0.00 177.26 175.03 1i16 n SER 6 N 0.00 0.88 0.16 0.53 7.64 -1.26 -5.07 113.62 116.50 1i16 n SER 6 Ca 0.00 -2.03 0.00 0.00 1.01 0.00 0.00 58.87 57.85 1i16 n SER 6 Cb 0.00 0.53 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 1i16 n SER 6 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1i16 n SER 7 N -1.89 -2.77 -3.59 6.43 3.41 -1.26 -4.99 113.62 108.96 1i16 n SER 7 Ca -0.02 0.62 -0.26 0.00 -0.26 0.00 0.00 58.87 58.96 1i16 n SER 7 Cb 0.29 2.72 0.05 0.00 -0.26 0.00 0.00 64.21 67.00 1i16 n SER 7 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1i16 n THR 8 N -3.18 -6.35 -3.68 6.66 -2.24 -1.26 -4.99 114.28 99.24 1i16 n THR 8 Ca 0.00 -0.97 -0.10 0.00 -2.27 0.00 0.00 64.05 60.72 1i16 n THR 8 Cb 0.00 -4.73 -0.09 0.00 -2.10 0.00 0.00 70.33 63.40 1i16 n THR 8 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1i16 s ASP 9 N -3.64 -0.66 -0.17 3.42 -4.77 -1.26 -5.07 116.67 104.53 1i16 s ASP 9 Ca 0.37 1.11 -0.11 0.00 -3.30 0.00 0.00 52.55 50.63 1i16 s ASP 9 Cb -0.11 0.99 -0.07 0.00 -1.09 0.00 0.00 42.92 42.64 1i16 s ASP 9 CO 0.82 -0.21 -0.25 -1.54 0.70 0.00 0.00 175.17 174.70 1i16 n SER 10 N 4.16 1.45 -2.67 2.11 3.41 -1.26 -4.96 113.62 115.87 1i16 n SER 10 Ca -0.22 0.25 -0.19 0.00 -0.26 0.00 0.00 58.87 58.46 1i16 n SER 10 Cb 0.57 -0.59 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 1i16 n SER 10 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 11 N -3.95 -0.81 -4.09 7.33 0.00 -1.26 -1.32 120.51 116.41 1i16 n ALA 11 Ca -0.31 0.16 -0.31 0.00 0.00 0.00 0.00 53.44 52.98 1i16 n ALA 11 Cb 0.67 -2.40 -0.02 0.00 0.00 0.00 0.00 19.45 17.69 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 -2.61 -1.57 -0.57 0.00 0.00 -1.26 -4.79 120.51 109.70 1i16 n ALA 12 Ca -0.16 -0.10 0.00 0.00 0.00 0.00 0.00 53.44 53.18 1i16 n ALA 12 Cb 0.63 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.35 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 -2.81 0.53 -0.06 0.00 2.88 -0.43 -4.87 113.62 108.86 1i16 n SER 13 Ca -0.09 -1.10 -0.04 0.00 -1.33 0.00 0.00 58.87 56.31 1i16 n SER 13 Cb 0.58 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.02 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 -0.05 0.42 -3.15 -1.46 0.00 -1.25 -5.04 120.51 109.97 1i16 n ALA 14 Ca 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.01 1i16 n ALA 14 Cb 0.20 0.01 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1i16 n ALA 14 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i16 n SER 15 N -3.98 1.69 0.00 0.00 3.41 -1.26 -5.10 113.62 108.37 1i16 n SER 15 Ca -0.07 -0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.24 1i16 n SER 15 Cb 0.25 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 1i16 n SER 15 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1i16 n ALA 16 N -3.00 0.00 0.00 7.33 0.00 -1.26 -4.88 120.51 118.70 1i16 n ALA 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1i16 n ALA 16 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 -1.11 0.00 -2.60 0.00 0.00 -1.26 -4.86 120.51 110.68 1i16 n ALA 17 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.16 1i16 n ALA 17 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 1i16 n ALA 17 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1i16 s SER 18 N 0.00 4.02 0.22 0.00 0.01 -1.26 -5.15 113.70 111.55 1i16 s SER 18 Ca 0.00 -1.34 0.07 0.00 1.31 0.00 0.00 55.95 55.99 1i16 s SER 18 Cb 0.00 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.89 1i16 s SER 18 CO 0.00 -0.52 0.11 -1.81 0.41 0.00 0.00 173.24 171.43 1i16 s ASP 19 N -3.77 5.20 -0.17 2.44 1.01 -1.26 -5.13 116.67 114.99 1i16 s ASP 19 Ca 0.33 -0.33 -0.17 0.00 0.71 0.00 0.00 52.55 53.09 1i16 s ASP 19 Cb 0.08 -1.24 0.05 0.00 1.01 0.00 0.00 42.92 42.82 1i16 s ASP 19 CO 0.17 0.01 0.48 0.54 0.21 0.00 0.00 175.17 176.59 1i16 s VAL 20 N -2.02 0.00 0.03 -1.27 0.11 -1.26 -5.08 120.40 110.91 1i16 s VAL 20 Ca 0.31 -0.02 0.00 0.00 -2.93 0.00 0.00 61.98 59.34 1i16 s VAL 20 Cb -0.08 -0.68 0.00 0.00 -1.53 0.00 0.00 36.38 34.08 1i16 s VAL 20 CO 0.23 -0.01 0.00 -0.24 -3.33 0.00 0.00 175.10 171.74 1i16 n SER 21 N 2.70 -4.10 -0.88 3.54 2.88 -1.26 -4.99 113.62 111.50 1i16 n SER 21 Ca -0.14 0.48 0.00 0.00 -1.33 0.00 0.00 58.87 57.88 1i16 n SER 21 Cb 0.57 -2.19 0.00 0.00 -0.75 0.00 0.00 64.21 61.83 1i16 n SER 21 CO 0.00 0.00 0.00 0.52 -1.23 0.00 0.00 175.04 174.33 1i16 n VAL 22 N 0.54 -3.29 -2.20 2.46 0.31 -1.26 -4.99 118.33 109.90 1i16 n VAL 22 Ca 0.00 1.27 -0.26 0.00 -0.01 0.00 0.00 64.34 65.34 1i16 n VAL 22 Cb 0.00 -2.06 0.10 0.00 -0.91 0.00 0.00 33.84 30.97 1i16 n VAL 22 CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 1i16 s GLU 23 N -3.60 1.85 -1.11 5.55 0.41 -1.26 -4.94 118.70 115.59 1i16 s GLU 23 Ca 0.00 -0.39 -0.22 0.00 -0.41 0.00 0.00 54.97 53.96 1i16 s GLU 23 Cb 0.00 -2.13 0.03 0.00 -1.78 0.00 0.00 34.13 30.25 1i16 s GLU 23 CO 0.00 -1.49 1.66 -1.12 -0.49 0.00 0.00 175.26 173.83 1i16 s SER 24 N -4.62 6.25 -0.30 -0.19 0.01 -1.26 -4.44 113.70 109.16 1i16 s SER 24 Ca 0.63 -1.68 -0.04 0.00 1.31 0.00 0.00 55.95 56.17 1i16 s SER 24 Cb -0.09 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.57 1i16 s SER 24 CO 0.46 -1.75 0.14 0.41 0.41 0.00 0.00 173.24 172.91 1i16 n THR 25 N 6.98-10.48 -3.54 1.44 -1.04 -1.26 -5.05 114.28 101.32 1i16 n THR 25 Ca 0.40 1.46 -0.17 0.00 -2.04 0.00 0.00 64.05 63.71 1i16 n THR 25 Cb 0.48 -6.45 -0.06 0.00 -1.82 0.00 0.00 70.33 62.48 1i16 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1i16 s ALA 26 N -1.75 -1.78 -0.16 2.41 0.00 -1.26 -5.07 121.76 114.15 1i16 s ALA 26 Ca 0.06 1.45 -0.07 0.00 0.00 0.00 0.00 51.96 53.40 1i16 s ALA 26 Cb -0.01 -0.23 0.03 0.00 0.00 0.00 0.00 23.12 22.90 1i16 s ALA 26 CO 0.70 -0.36 0.13 0.39 0.00 0.00 0.00 175.76 176.62 1i16 n GLU 27 N 1.19 -3.10 -1.10 0.00 1.02 -1.26 -4.89 120.64 112.49 1i16 n GLU 27 Ca -0.18 2.51 0.10 0.00 -0.02 0.00 0.00 57.16 59.57 1i16 n GLU 27 Cb 0.57 -4.00 -0.05 0.00 -0.02 0.00 0.00 31.44 27.93 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 1.02 -2.51 -3.75 0.62 0.00 -1.26 -4.98 120.51 109.65 1i16 n ALA 28 Ca -0.22 0.62 -0.15 0.00 0.00 0.00 0.00 53.44 53.69 1i16 n ALA 28 Cb 0.34 -1.20 -0.15 0.00 0.00 0.00 0.00 19.45 18.44 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 -4.28 -0.07 0.13 0.00 -4.23 -1.21 -4.99 115.64 100.99 1i16 s THR 29 Ca 0.00 0.22 0.05 0.00 -1.18 0.00 0.00 61.69 60.78 1i16 s THR 29 Cb 0.00 -0.16 -0.04 0.00 1.34 0.00 0.00 72.50 73.64 1i16 s THR 29 CO 0.00 0.09 0.07 -0.69 -0.54 0.00 0.00 174.62 173.55 1i16 s VAL 30 N 1.22 4.26 -0.37 2.29 1.01 -1.26 -1.54 120.40 126.01 1i16 s VAL 30 Ca -0.08 -1.04 0.02 0.00 0.00 0.00 0.00 61.98 60.88 1i16 s VAL 30 Cb -0.12 -3.11 0.15 0.00 0.00 0.00 0.00 36.38 33.30 1i16 s VAL 30 CO -0.04 0.00 0.29 0.00 0.00 0.00 0.00 175.10 175.35 1i16 s THR 32 N 1.06 3.33 0.08 0.00 2.01 -1.26 -3.41 115.64 117.45 1i16 s THR 32 Ca 0.20 0.91 -0.02 0.00 0.31 0.00 0.00 61.69 63.09 1i16 s THR 32 Cb -0.17 -3.58 -0.04 0.00 0.01 0.00 0.00 72.50 68.72 1i16 s THR 32 CO -0.03 0.05 0.03 0.68 -0.69 0.00 0.00 174.62 174.66 1i16 s VAL 33 N 1.47 0.17 -0.08 3.82 -7.23 -0.07 -4.96 120.40 113.52 1i16 s VAL 33 Ca 0.65 -1.77 0.02 0.00 -1.81 0.00 0.00 61.98 59.08 1i16 s VAL 33 Cb -0.36 -1.67 -0.02 0.00 0.56 0.00 0.00 36.38 34.88 1i16 s VAL 33 CO 0.30 -0.78 -0.15 0.42 -0.31 0.00 0.00 175.10 174.58 1i16 s THR 34 N -3.96 2.97 -0.73 5.32 -4.23 -1.26 0.26 115.64 114.02 1i16 s THR 34 Ca 0.12 -0.73 0.03 0.00 -1.18 0.00 0.00 61.69 59.94 1i16 s THR 34 Cb 0.07 -2.19 0.30 0.00 1.34 0.00 0.00 72.50 72.03 1i16 s THR 34 CO -0.06 0.57 1.06 0.18 -0.54 0.00 0.00 174.62 175.83 1i16 n LEU 35 N 2.80 4.87 0.00 4.79 7.99 0.46 -4.72 117.00 133.19 1i16 n LEU 35 Ca -0.18 -5.50 0.00 0.00 -0.01 0.00 0.00 56.01 50.33 1i16 n LEU 35 Cb 0.52 -0.78 0.00 0.00 -0.11 0.00 0.00 43.42 43.05 1i16 n LEU 35 CO 0.27 2.12 0.00 -1.84 -1.51 0.00 0.00 177.39 176.43 1i16 n GLU 36 N 0.40 0.00 -2.72 3.23 0.28 -1.26 -4.35 120.64 116.22 1i16 n GLU 36 Ca 0.32 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.90 1i16 n GLU 36 Cb 0.37 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.21 1i16 n GLU 36 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 177.13 177.18 1i16 s LYS 37 N 0.00 4.61 0.06 3.44 2.47 0.18 -4.84 119.74 125.66 1i16 s LYS 37 Ca 0.00 1.43 -0.00 0.00 -1.56 0.00 0.00 55.97 55.84 1i16 s LYS 37 Cb 0.00 -3.43 -0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1i16 s LYS 37 CO 0.00 0.06 -0.00 -1.33 0.16 0.00 0.00 175.35 174.23 1i16 n MET 38 N 3.46 0.01 0.00 4.03 2.81 -1.26 -3.15 117.12 123.01 1i16 n MET 38 Ca 0.05 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.94 1i16 n MET 38 Cb 0.50 -0.51 0.00 0.00 -0.71 0.00 0.00 33.22 32.50 1i16 n MET 38 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1i16 n SER 39 N -3.34 0.00 -0.59 7.83 7.64 -1.26 -4.91 113.62 118.98 1i16 n SER 39 Ca -0.00 0.00 -0.02 0.00 1.01 0.00 0.00 58.87 59.85 1i16 n SER 39 Cb 0.17 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.35 1i16 n SER 39 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1i16 n ALA 40 N 0.00 1.03 -2.17 -0.43 0.00 -1.26 -5.00 120.51 112.68 1i16 n ALA 40 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 53.44 53.20 1i16 n ALA 40 Cb 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 19.45 19.25 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 2.09 0.00 0.00 -1.26 -3.85 105.19 102.67 1i16 n GLY 41 Ca -0.10 -0.49 -0.09 0.00 0.00 0.00 0.00 46.02 45.34 1i16 n GLY 41 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1i16 n LEU 42 N -1.07 -0.18 0.00 0.99 -0.00 -1.26 0.25 117.00 115.74 1i16 n LEU 42 Ca -0.01 -0.17 0.00 0.00 -0.00 0.00 0.00 56.01 55.83 1i16 n LEU 42 Cb 0.51 -0.56 0.00 0.00 -0.00 0.00 0.00 43.42 43.37 1i16 n LEU 42 CO 0.03 0.02 0.00 0.61 -0.00 0.00 0.00 177.39 178.05 1i16 n GLY 43 N -0.48 0.32 3.35 1.47 0.00 -1.25 -4.85 105.19 103.74 1i16 n GLY 43 Ca 0.03 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.90 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 -1.92 -0.37 0.14 1.61 -0.12 0.71 0.27 117.98 118.29 1i16 s PHE 44 Ca 0.00 0.61 0.07 0.00 -0.05 0.00 0.00 56.93 57.56 1i16 s PHE 44 Cb 0.00 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.57 1i16 s PHE 44 CO 0.00 -0.47 -0.16 0.45 -0.05 0.00 0.00 175.22 174.99 1i16 s SER 45 N -1.25 2.32 0.02 1.98 0.15 -0.81 -4.84 113.70 111.26 1i16 s SER 45 Ca -0.12 -0.82 -0.00 0.00 0.70 0.00 0.00 55.95 55.71 1i16 s SER 45 Cb -0.03 -0.11 -0.04 0.00 -1.71 0.00 0.00 66.02 64.13 1i16 s SER 45 CO 0.06 -0.08 0.12 -0.76 1.20 0.00 0.00 173.24 173.78 1i16 s LEU 46 N -2.48 4.05 0.01 3.45 1.02 -1.26 -2.48 118.68 120.98 1i16 s LEU 46 Ca 0.11 0.18 -0.08 0.00 0.02 0.00 0.00 54.13 54.36 1i16 s LEU 46 Cb -0.06 -2.47 0.00 0.00 0.02 0.00 0.00 46.19 43.68 1i16 s LEU 46 CO 0.05 0.24 0.16 -1.61 0.02 0.00 0.00 176.35 175.20 1i16 s GLU 47 N -2.00 0.53 0.00 1.70 2.02 0.66 -4.84 118.70 116.78 1i16 s GLU 47 Ca 0.27 -0.43 0.00 0.00 0.02 0.00 0.00 54.97 54.82 1i16 s GLU 47 Cb -0.12 0.22 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1i16 s GLU 47 CO 0.18 -0.13 0.00 0.41 0.02 0.00 0.00 175.26 175.74 1i16 n GLY 48 N 1.30 0.91 7.00 -1.39 0.00 -1.26 -1.74 105.19 110.01 1i16 n GLY 48 Ca -0.22 -0.98 0.00 0.00 0.00 0.00 0.00 46.02 44.82 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 1.45 3.48 -0.02 0.00 -1.26 -4.67 105.19 104.18 1i16 n GLY 49 Ca 0.00 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.91 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 12.82 0.35 0.00 1.61 2.85 -1.26 -4.10 118.16 130.43 1i16 n LYS 50 Ca 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 58.31 57.29 1i16 n LYS 50 Cb 0.00 -2.06 0.00 0.00 -0.65 0.00 0.00 35.03 32.32 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 6.48 0.24 0.00 2.58 0.00 -1.26 -5.05 105.19 108.18 1i16 n GLY 51 Ca 0.56 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.58 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 -1.97 1.61 7.64 -1.26 -5.04 113.62 114.59 1i16 n SER 52 Ca 0.00 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.64 1i16 n SER 52 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 1i16 n SER 52 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1i16 n LEU 53 N 0.00 6.02 -0.19 -3.43 7.99 -1.26 -4.43 117.00 121.71 1i16 n LEU 53 Ca 0.00 -4.23 0.02 0.00 -0.01 0.00 0.00 56.01 51.79 1i16 n LEU 53 Cb 0.00 -0.71 0.04 0.00 -0.11 0.00 0.00 43.42 42.64 1i16 n LEU 53 CO 0.00 1.56 0.50 1.41 -1.51 0.00 0.00 177.39 179.35 1i16 n HIS 54 N -0.93 0.12 0.00 -1.77 8.25 -1.26 -4.98 115.22 114.64 1i16 n HIS 54 Ca 0.51 -0.42 0.00 0.00 -0.26 0.00 0.00 57.72 57.54 1i16 n HIS 54 Cb 0.95 -0.04 0.00 0.00 1.12 0.00 0.00 29.99 32.02 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 -0.13 -2.46 0.00 -1.41 0.00 -1.26 -5.18 105.19 94.75 1i16 n GLY 55 Ca 0.03 0.82 0.00 0.00 0.00 0.00 0.00 46.02 46.87 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 -0.45 0.00 -4.02 1.61 -0.08 -1.26 -5.06 116.55 107.28 1i16 n ASP 56 Ca 0.00 0.00 -0.33 0.00 -1.51 0.00 0.00 54.79 52.95 1i16 n ASP 56 Cb 0.00 0.00 -0.10 0.00 2.34 0.00 0.00 41.12 43.36 1i16 n ASP 56 CO 0.00 0.00 0.00 -1.59 0.12 0.00 0.00 177.20 175.73 1i16 s LYS 57 N -1.09 2.67 -1.29 -0.67 0.00 -1.26 -4.42 119.74 113.68 1i16 s LYS 57 Ca 0.00 -3.02 -0.13 0.00 0.00 0.00 0.00 55.97 52.82 1i16 s LYS 57 Cb 0.00 -3.65 0.14 0.00 0.00 0.00 0.00 37.83 34.32 1i16 s LYS 57 CO 0.00 -1.22 1.78 -0.35 0.00 0.00 0.00 175.35 175.55 1i16 n PRO 58 N 2.62 3.37 -1.70 1.78 -0.04 -1.26 -4.40 135.00 135.36 1i16 n PRO 58 Ca 0.15 -3.45 -0.58 0.00 -0.04 0.00 0.00 63.50 59.58 1i16 n PRO 58 Cb 0.36 -3.09 -0.07 0.00 -0.04 0.00 0.00 33.50 30.65 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 5.35 2.09 -4.26 1.53 4.32 -1.26 -4.62 117.00 120.15 1i16 n LEU 59 Ca 0.42 1.10 -0.15 0.00 -0.02 0.00 0.00 56.01 57.36 1i16 n LEU 59 Cb 0.40 -1.11 -0.10 0.00 -1.62 0.00 0.00 43.42 40.99 1i16 n LEU 59 CO 0.76 -0.60 -0.41 0.42 -1.22 0.00 0.00 177.39 176.35 1i16 s THR 60 N 3.01 1.23 -0.25 -5.08 -4.23 -0.71 -3.59 115.64 106.02 1i16 s THR 60 Ca 0.97 -2.08 -0.29 0.00 -1.18 0.00 0.00 61.69 59.11 1i16 s THR 60 Cb -1.11 -1.88 -0.00 0.00 1.34 0.00 0.00 72.50 70.84 1i16 s THR 60 CO 0.65 -0.72 1.30 -0.63 -0.54 0.00 0.00 174.62 174.68 1i16 s ILE 61 N -3.29 4.17 -0.19 2.99 1.01 -1.18 -0.24 121.20 124.48 1i16 s ILE 61 Ca 0.18 1.36 -0.01 0.00 0.00 0.00 0.00 60.65 62.18 1i16 s ILE 61 Cb 0.02 -4.08 -0.11 0.00 0.01 0.00 0.00 42.46 38.29 1i16 s ILE 61 CO 0.01 -0.35 -0.18 0.59 0.00 0.00 0.00 174.94 175.01 1i16 n ASN 62 N 7.31 2.34 -4.16 3.58 5.03 -1.03 0.13 115.26 128.45 1i16 n ASN 62 Ca 0.15 -0.03 -0.39 0.00 0.87 0.00 0.00 54.58 55.17 1i16 n ASN 62 Cb 0.46 -0.35 -0.09 0.00 -1.02 0.00 0.00 39.78 38.78 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 -2.37 2.56 -0.01 3.52 0.52 -1.25 -4.86 118.95 117.07 1i16 s ARG 63 Ca -0.26 -2.15 -0.06 0.00 -0.52 0.00 0.00 55.73 52.75 1i16 s ARG 63 Cb 0.07 -3.85 -0.04 0.00 0.52 0.00 0.00 34.95 31.65 1i16 s ARG 63 CO 0.41 -1.18 0.24 0.42 0.02 0.00 0.00 175.30 175.21 1i16 s ILE 64 N 0.63 5.35 -0.05 1.52 1.01 -1.26 -1.93 121.20 126.48 1i16 s ILE 64 Ca 0.12 0.09 -0.09 0.00 0.00 0.00 0.00 60.65 60.76 1i16 s ILE 64 Cb -0.21 -3.55 -0.03 0.00 0.01 0.00 0.00 42.46 38.68 1i16 s ILE 64 CO -0.03 0.37 -0.18 0.49 0.00 0.00 0.00 174.94 175.59 1i16 n PHE 65 N 1.13 0.00 -3.85 3.97 3.72 0.77 -4.93 117.46 118.28 1i16 n PHE 65 Ca -0.12 0.00 -0.21 0.00 -0.05 0.00 0.00 57.45 57.07 1i16 n PHE 65 Cb 0.53 -0.27 -0.17 0.00 -0.94 0.00 0.00 39.48 38.62 1i16 n PHE 65 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1i16 s LYS 66 N -2.45 0.54 0.00 -1.08 2.20 -1.19 -5.05 119.74 112.71 1i16 s LYS 66 Ca -0.15 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.55 1i16 s LYS 66 Cb 0.02 -0.84 0.00 0.00 -1.51 0.00 0.00 37.83 35.51 1i16 s LYS 66 CO 0.22 -0.24 0.00 0.41 -0.36 0.00 0.00 175.35 175.38 1i16 n GLY 67 N 4.83 1.68 2.52 5.54 0.00 -1.26 -4.56 105.19 113.93 1i16 n GLY 67 Ca -0.13 -1.72 -0.03 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.00 -2.52 -1.00 4.61 0.00 -1.16 -4.88 120.51 112.56 1i16 n ALA 68 Ca 0.00 1.24 0.00 0.00 0.00 0.00 0.00 53.44 54.68 1i16 n ALA 68 Cb 0.00 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 16.72 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 1.90 0.00 -0.34 0.00 0.00 -1.25 -4.78 120.51 116.04 1i16 n ALA 69 Ca -0.19 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.20 1i16 n ALA 69 Cb 0.29 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.73 1i16 n ALA 69 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1i16 h SER 70 N -0.89 -1.60 0.00 0.00 0.02 -1.93 -3.32 113.55 105.84 1i16 h SER 70 Ca 0.00 0.30 0.00 0.00 -0.84 0.00 0.00 61.79 61.25 1i16 h SER 70 Cb 0.00 0.77 0.00 0.00 0.14 0.00 0.00 62.40 63.31 1i16 h SER 70 CO 0.00 -0.29 -0.36 1.21 -1.14 0.00 0.00 176.83 176.25 1i16 n GLU 71 N -5.41 3.28 -0.59 3.45 2.13 -1.26 -5.08 120.64 117.16 1i16 n GLU 71 Ca 0.06 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.66 1i16 n GLU 71 Cb 0.36 -0.63 0.14 0.00 0.27 0.00 0.00 31.44 31.58 1i16 n GLU 71 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 1i16 n GLN 72 N -0.63 -1.95 0.00 5.31 6.02 -1.25 -4.99 117.38 119.89 1i16 n GLN 72 Ca 0.00 -0.57 0.00 0.00 -0.01 0.00 0.00 57.00 56.42 1i16 n GLN 72 Cb 0.00 -1.48 0.00 0.00 1.02 0.00 0.00 30.24 29.78 1i16 n GLN 72 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1i16 n SER 73 N -0.97 0.00 -3.98 1.08 3.41 -1.26 -3.96 113.62 107.94 1i16 n SER 73 Ca 0.04 0.11 -0.31 0.00 -0.26 0.00 0.00 58.87 58.45 1i16 n SER 73 Cb 0.43 -0.30 -0.15 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.60 1.55 -0.38 4.33 8.01 -1.26 -2.99 118.70 127.36 1i16 s GLU 74 Ca 0.00 -1.50 0.06 0.00 0.01 0.00 0.00 54.97 53.54 1i16 s GLU 74 Cb 0.00 -2.86 0.56 0.00 -4.31 0.00 0.00 34.13 27.52 1i16 s GLU 74 CO 0.00 -0.81 1.67 -2.37 0.01 0.00 0.00 175.26 173.76 1i16 n THR 75 N 4.45 2.89 -4.10 3.63 5.66 -1.26 -4.87 114.28 120.67 1i16 n THR 75 Ca -0.03 -2.52 -0.10 0.00 -3.05 0.00 0.00 64.05 58.35 1i16 n THR 75 Cb 0.42 -0.47 -0.09 0.00 -1.55 0.00 0.00 70.33 68.64 1i16 n THR 75 CO 0.00 0.00 0.00 0.68 -3.05 0.00 0.00 175.07 172.70 1i16 s VAL 76 N -3.44 0.09 -0.12 1.08 -7.23 -1.26 -4.84 120.40 104.68 1i16 s VAL 76 Ca 0.51 -1.77 -0.10 0.00 -1.81 0.00 0.00 61.98 58.81 1i16 s VAL 76 Cb 0.44 -2.00 0.03 0.00 0.56 0.00 0.00 36.38 35.41 1i16 s VAL 76 CO 0.04 -0.40 0.31 0.00 -0.31 0.00 0.00 175.10 174.74 1i16 s GLN 77 N -4.03 0.35 -0.59 4.82 0.00 -1.26 -5.06 119.66 113.89 1i16 s GLN 77 Ca 0.23 0.46 -0.28 0.00 -0.00 0.00 0.00 55.36 55.77 1i16 s GLN 77 Cb 0.06 0.14 0.03 0.00 0.00 0.00 0.00 33.01 33.24 1i16 s GLN 77 CO 0.02 -0.06 1.23 -1.25 0.00 0.00 0.00 175.29 175.22 1i16 s PRO 78 N 0.34 3.47 -0.01 9.60 0.04 -1.26 -3.58 135.00 143.59 1i16 s PRO 78 Ca -0.01 0.25 0.00 0.00 0.04 0.00 0.00 61.00 61.27 1i16 s PRO 78 Cb -0.03 -4.04 0.00 0.00 0.04 0.00 0.00 34.50 30.47 1i16 s PRO 78 CO -0.01 -1.74 0.00 0.41 0.04 0.00 0.00 177.00 175.69 1i16 n GLY 79 N 5.11 0.39 3.75 0.56 0.00 0.36 -4.96 105.19 110.39 1i16 n GLY 79 Ca 0.09 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.71 1i16 n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1i16 s ASP 80 N -2.99 4.47 -1.16 1.61 -1.08 -1.24 -4.66 116.67 111.63 1i16 s ASP 80 Ca 0.00 1.99 -0.04 0.00 -0.52 0.00 0.00 52.55 53.98 1i16 s ASP 80 Cb 0.00 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 39.09 1i16 s ASP 80 CO 0.00 -2.07 2.26 1.21 0.52 0.00 0.00 175.17 177.09 1i16 n GLU 81 N -3.15 4.60 -1.66 4.34 4.07 -1.26 -3.07 120.64 124.51 1i16 n GLU 81 Ca 0.10 -3.70 -0.47 0.00 -0.06 0.00 0.00 57.16 53.03 1i16 n GLU 81 Cb 0.52 -2.54 -0.05 0.00 -0.06 0.00 0.00 31.44 29.32 1i16 n GLU 81 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1i16 n ILE 82 N 1.09 0.05 0.11 6.31 5.41 -1.24 -4.14 119.36 126.95 1i16 n ILE 82 Ca 0.57 -0.01 -0.23 0.00 1.00 0.00 0.00 62.75 64.08 1i16 n ILE 82 Cb 0.27 -1.42 -0.15 0.00 -0.71 0.00 0.00 39.64 37.63 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 5.92 0.70 -8.19 1.39 3.38 -1.74 -3.44 115.31 113.33 1i16 h LEU 83 Ca -0.46 -0.93 -0.13 0.00 0.09 0.00 0.00 57.88 56.46 1i16 h LEU 83 Cb 1.27 -0.23 -0.14 0.00 0.09 0.00 0.00 40.66 41.66 1i16 h LEU 83 CO 0.87 1.65 -0.46 0.00 0.09 0.00 0.00 178.44 180.60 1i16 s GLN 84 N -2.55 1.02 0.20 1.13 0.00 -1.26 -0.89 119.66 117.31 1i16 s GLN 84 Ca -0.12 -1.25 0.02 0.00 -0.00 0.00 0.00 55.36 54.02 1i16 s GLN 84 Cb 0.04 0.32 0.02 0.00 0.00 0.00 0.00 33.01 33.39 1i16 s GLN 84 CO 0.90 -0.33 0.20 1.28 0.00 0.00 0.00 175.29 177.33 1i16 n LEU 85 N -0.14 0.00 0.00 2.60 4.77 0.60 -3.29 117.00 121.54 1i16 n LEU 85 Ca -0.08 -1.00 0.07 0.00 -0.03 0.00 0.00 56.01 54.97 1i16 n LEU 85 Cb 0.63 -0.07 0.37 0.00 -2.33 0.00 0.00 43.42 42.03 1i16 n LEU 85 CO 0.26 -0.45 0.66 0.61 -1.33 0.00 0.00 177.39 177.14 1i16 n GLY 86 N 2.52 -0.61 0.98 -0.72 0.00 0.24 -3.35 105.19 104.25 1i16 n GLY 86 Ca 0.02 -0.07 -0.04 0.00 0.00 0.00 0.00 46.02 45.93 1i16 n GLY 86 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1i16 n GLY 87 N -0.13 0.67 3.56 -0.02 0.00 -1.26 -4.50 105.19 103.51 1i16 n GLY 87 Ca 0.08 -0.15 -0.10 0.00 0.00 0.00 0.00 46.02 45.85 1i16 n GLY 87 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1i16 s THR 88 N 0.00 0.00 -0.07 2.61 -1.32 -1.21 -4.19 115.64 111.46 1i16 s THR 88 Ca 0.06 0.00 0.01 0.00 -1.21 0.00 0.00 61.69 60.56 1i16 s THR 88 Cb 0.07 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 70.08 1i16 s THR 88 CO -0.03 0.00 -0.09 0.00 -2.21 0.00 0.00 174.62 172.29 1i16 s ALA 89 N -1.71 1.11 -0.03 11.08 0.00 -1.26 0.22 121.76 131.17 1i16 s ALA 89 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 51.96 51.51 1i16 s ALA 89 Cb -0.01 -0.58 -0.06 0.00 0.00 0.00 0.00 23.12 22.47 1i16 s ALA 89 CO -0.01 -0.01 0.54 0.52 0.00 0.00 0.00 175.76 176.80 1i16 h MET 90 N 7.23 -0.40 -1.16 0.00 2.86 -1.36 -3.28 114.93 118.83 1i16 h MET 90 Ca -0.32 0.03 0.33 0.00 -2.06 0.00 0.00 59.70 57.68 1i16 h MET 90 Cb 1.17 0.09 -0.05 0.00 0.06 0.00 0.00 31.60 32.87 1i16 h MET 90 CO 0.46 -0.27 1.04 1.04 1.06 0.00 0.00 176.91 180.24 1i16 n GLN 91 N -4.57 0.01 -2.25 1.72 3.00 -1.25 0.26 117.38 114.30 1i16 n GLN 91 Ca -0.05 0.82 -0.29 0.00 -0.01 0.00 0.00 57.00 57.47 1i16 n GLN 91 Cb 0.16 -1.98 0.01 0.00 0.00 0.00 0.00 30.24 28.43 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 -1.61 5.99 0.00 1.08 0.00 -1.24 -5.00 105.19 104.41 1i16 n GLY 92 Ca 0.26 -2.68 0.00 0.00 0.00 0.00 0.00 46.02 43.60 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -0.55 0.00 0.00 0.99 4.77 0.73 -4.93 117.00 118.00 1i16 n LEU 93 Ca 0.44 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1i16 n LEU 93 Cb 0.64 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.73 1i16 n LEU 93 CO 0.40 0.00 0.00 0.41 -1.33 0.00 0.00 177.39 176.87 1i16 n THR 94 N 0.00 0.00 -0.03 -5.08 -1.04 -1.26 -4.95 114.28 101.92 1i16 n THR 94 Ca 0.00 0.00 -0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1i16 n THR 94 Cb 0.00 -0.23 -0.00 0.00 -1.82 0.00 0.00 70.33 68.28 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 0.00 -0.42 -2.82 1.12 -1.93 -3.06 114.38 107.26 1i16 h ARG 95 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 59.98 58.84 1i16 h ARG 95 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 29.97 29.94 1i16 h ARG 95 CO 0.00 0.00 0.17 0.74 -3.11 0.00 0.00 179.97 177.77 1i16 h PHE 96 N -0.47 0.65 -0.71 2.20 0.04 -1.94 -2.48 116.94 114.24 1i16 h PHE 96 Ca 0.00 -0.05 0.14 0.00 2.80 0.00 0.00 57.97 60.86 1i16 h PHE 96 Cb 0.05 -0.19 -0.10 0.00 2.20 0.00 0.00 35.95 37.91 1i16 h PHE 96 CO -0.02 0.57 0.21 0.93 -0.60 0.00 0.00 178.31 179.40 1i16 h GLU 97 N 0.54 0.32 0.12 1.51 4.39 -1.98 0.92 114.58 120.40 1i16 h GLU 97 Ca 0.14 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.82 1i16 h GLU 97 Cb 0.20 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1i16 h GLU 97 CO -0.01 0.21 -0.06 0.00 -1.16 0.00 0.00 179.01 178.00 1i16 h ALA 98 N 1.56 -1.01 0.00 3.43 0.00 -1.34 -2.47 119.26 119.43 1i16 h ALA 98 Ca 0.39 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.27 1i16 h ALA 98 Cb 0.62 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.48 1i16 h ALA 98 CO -0.44 -1.00 0.12 1.87 0.00 0.00 0.00 179.25 179.80 1i16 n TRP 99 N -2.45 0.33 -0.02 0.00 -0.00 -1.06 -2.12 117.44 112.12 1i16 n TRP 99 Ca -0.02 0.17 -0.18 0.00 -0.00 0.00 0.00 57.50 57.47 1i16 n TRP 99 Cb 0.06 -0.68 -0.14 0.00 -0.00 0.00 0.00 31.31 30.56 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 0.22 -0.92 5.87 2.35 -0.40 -3.27 115.58 119.43 1i16 h ASN 100 Ca 0.00 -0.92 0.08 0.00 -0.55 0.00 0.00 56.30 54.91 1i16 h ASN 100 Cb 0.23 -0.07 -0.07 0.00 0.05 0.00 0.00 38.32 38.46 1i16 h ASN 100 CO 0.00 1.28 0.57 0.40 -1.65 0.00 0.00 177.43 178.03 1i16 h ILE 101 N -0.67 1.01 0.43 2.81 5.03 -0.99 -2.70 117.51 122.43 1i16 h ILE 101 Ca -0.13 -0.34 -0.01 0.00 -0.12 0.00 0.00 64.86 64.26 1i16 h ILE 101 Cb 1.37 -0.08 -0.02 0.00 -3.03 0.00 0.00 36.82 35.06 1i16 h ILE 101 CO 0.04 0.18 -0.49 0.40 -0.68 0.00 0.00 178.15 177.61 1i16 h ILE 102 N 1.00 0.00 -1.26 -0.67 5.03 -1.68 -0.76 117.51 119.17 1i16 h ILE 102 Ca 0.42 0.00 0.40 0.00 -0.12 0.00 0.00 64.86 65.56 1i16 h ILE 102 Cb 0.26 0.00 -0.12 0.00 -3.03 0.00 0.00 36.82 33.93 1i16 h ILE 102 CO -0.20 0.00 0.81 0.11 -0.68 0.00 0.00 178.15 178.19 1i16 h LYS 103 N -0.93 0.14 -0.00 2.37 1.79 -1.54 2.26 116.57 120.66 1i16 h LYS 103 Ca -0.05 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.41 1i16 h LYS 103 Cb 0.82 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.44 1i16 h LYS 103 CO -0.09 0.09 -0.04 0.00 -1.08 0.00 0.00 179.45 178.34 1i16 n ALA 104 N -2.51 2.62 -0.99 3.86 0.00 -0.36 -4.87 120.51 118.26 1i16 n ALA 104 Ca 0.35 -0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.29 1i16 n ALA 104 Cb 1.32 -1.44 0.23 0.00 0.00 0.00 0.00 19.45 19.57 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 -2.39 0.68 0.43 0.00 -0.00 0.76 -5.00 118.68 113.15 1i16 s LEU 105 Ca 0.33 0.83 -0.20 0.00 -0.00 0.00 0.00 54.13 55.09 1i16 s LEU 105 Cb 0.21 -2.63 -0.10 0.00 -0.00 0.00 0.00 46.19 43.66 1i16 s LEU 105 CO 0.44 -4.07 0.93 -2.16 -0.00 0.00 0.00 176.35 171.49 1i16 s PRO 106 N -5.21 4.18 -1.07 1.48 0.04 -1.26 -4.95 135.00 128.21 1i16 s PRO 106 Ca 0.69 1.05 -0.23 0.00 0.04 0.00 0.00 61.00 62.56 1i16 s PRO 106 Cb -0.13 -2.21 -0.03 0.00 0.04 0.00 0.00 34.50 32.17 1i16 s PRO 106 CO 0.57 -0.03 1.84 -0.51 0.04 0.00 0.00 177.00 178.91 1i16 s ASP 107 N -2.27 5.52 0.00 6.66 1.01 -1.26 -4.77 116.67 121.56 1i16 s ASP 107 Ca 0.61 -1.35 0.00 0.00 0.71 0.00 0.00 52.55 52.52 1i16 s ASP 107 Cb -0.09 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.26 1i16 s ASP 107 CO 0.15 -2.48 0.00 0.61 0.21 0.00 0.00 175.17 173.66 1i16 n GLY 108 N 6.32 4.05 3.55 0.21 0.00 -1.19 -4.83 105.19 113.31 1i16 n GLY 108 Ca 0.42 -0.58 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 2.80 3.07 -0.35 1.61 0.04 -1.26 0.47 135.00 141.38 1i16 s PRO 109 Ca 0.00 -0.17 -0.22 0.00 0.04 0.00 0.00 61.00 60.65 1i16 s PRO 109 Cb 0.00 -4.47 0.01 0.00 0.04 0.00 0.00 34.50 30.08 1i16 s PRO 109 CO 0.00 -2.39 0.75 0.54 0.04 0.00 0.00 177.00 175.94 1i16 s VAL 110 N 6.75 4.79 -0.10 -0.36 0.11 -1.26 -4.87 120.40 125.45 1i16 s VAL 110 Ca 0.47 0.87 -0.21 0.00 -2.93 0.00 0.00 61.98 60.19 1i16 s VAL 110 Cb -0.08 -4.16 -0.04 0.00 -1.53 0.00 0.00 36.38 30.57 1i16 s VAL 110 CO 0.12 -0.36 0.59 -0.89 -3.33 0.00 0.00 175.10 171.22 1i16 s THR 111 N 2.97 5.11 0.20 5.04 2.01 -1.26 0.18 115.64 129.89 1i16 s THR 111 Ca 0.30 1.18 0.09 0.00 0.31 0.00 0.00 61.69 63.57 1i16 s THR 111 Cb -0.14 -3.92 -0.04 0.00 0.01 0.00 0.00 72.50 68.41 1i16 s THR 111 CO 0.15 0.27 -0.08 0.27 -0.69 0.00 0.00 174.62 174.55 1i16 s ILE 112 N 0.82 3.20 -0.36 1.82 -4.36 0.72 0.79 121.20 123.83 1i16 s ILE 112 Ca 0.31 -1.75 0.01 0.00 -0.26 0.00 0.00 60.65 58.96 1i16 s ILE 112 Cb -0.16 -2.62 0.11 0.00 1.25 0.00 0.00 42.46 41.04 1i16 s ILE 112 CO 0.14 -0.18 0.15 -0.69 0.24 0.00 0.00 174.94 174.60 1i16 s VAL 113 N -1.87 1.17 -0.19 8.37 1.01 -1.21 -0.89 120.40 126.80 1i16 s VAL 113 Ca 0.26 -1.91 -0.17 0.00 0.00 0.00 0.00 61.98 60.16 1i16 s VAL 113 Cb -0.08 -1.86 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 1i16 s VAL 113 CO 0.16 -0.76 0.46 0.27 0.00 0.00 0.00 175.10 175.23 1i16 s ILE 114 N 1.09 5.16 -0.27 2.22 -5.25 -1.22 -2.27 121.20 120.66 1i16 s ILE 114 Ca 0.13 0.84 0.01 0.00 -0.99 0.00 0.00 60.65 60.64 1i16 s ILE 114 Cb -0.20 -3.79 0.08 0.00 2.95 0.00 0.00 42.46 41.50 1i16 s ILE 114 CO -0.14 0.24 0.01 -0.60 -1.79 0.00 0.00 174.94 172.65 1i16 s ARG 115 N 1.32 1.31 -0.94 0.37 3.52 -1.26 -0.44 118.95 122.83 1i16 s ARG 115 Ca 0.22 -1.11 -0.19 0.00 -0.13 0.00 0.00 55.73 54.52 1i16 s ARG 115 Cb -0.15 -2.52 0.13 0.00 -1.56 0.00 0.00 34.95 30.85 1i16 s ARG 115 CO 0.09 -0.75 1.15 0.50 -0.81 0.00 0.00 175.30 175.48 1i16 s ARG 116 N 1.40 3.61 0.62 5.12 3.52 -0.59 -4.26 118.95 128.38 1i16 s ARG 116 Ca 0.01 -1.75 -0.12 0.00 -0.13 0.00 0.00 55.73 53.74 1i16 s ARG 116 Cb -0.18 -4.95 -0.04 0.00 -1.56 0.00 0.00 34.95 28.22 1i16 s ARG 116 CO -0.11 -1.80 1.03 0.15 -0.81 0.00 0.00 175.30 173.76 1i16 s LYS 117 N 2.78 3.51 -1.07 5.12 -0.14 -1.26 -3.31 119.74 125.37 1i16 s LYS 117 Ca 0.34 0.83 -0.07 0.00 -1.36 0.00 0.00 55.97 55.71 1i16 s LYS 117 Cb -0.04 -2.07 -0.06 0.00 -1.68 0.00 0.00 37.83 33.98 1i16 s LYS 117 CO -0.09 -0.64 2.95 -1.13 -0.76 0.00 0.00 175.35 175.67 1i16 n SER 118 N -2.65 7.59 -3.23 2.83 3.41 -1.26 -4.77 113.62 115.54 1i16 n SER 118 Ca 0.06 -2.76 -0.19 0.00 -0.26 0.00 0.00 58.87 55.72 1i16 n SER 118 Cb 0.54 -1.44 0.02 0.00 -0.26 0.00 0.00 64.21 63.06 1i16 n SER 118 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 175.04 174.77 1i16 n LEU 119 N 2.59 -4.23 0.00 1.04 0.00 -1.26 -4.97 117.00 110.16 1i16 n LEU 119 Ca 0.64 0.28 0.00 0.00 0.00 0.00 0.00 56.01 56.93 1i16 n LEU 119 Cb 0.42 -2.05 0.00 0.00 0.00 0.00 0.00 43.42 41.78 1i16 n LEU 119 CO 0.60 -1.12 0.00 1.67 0.00 0.00 0.00 177.39 178.53 1i16 n GLN 120 N 0.33 0.00 0.00 1.96 7.27 -1.26 -5.12 117.38 120.56 1i16 n GLN 120 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1i16 n GLN 120 Cb 0.53 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.18 1i16 n GLN 120 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 177.06 176.00 1i16 n SER 121 N 0.00 0.00 0.00 1.69 3.41 -1.26 -5.03 113.62 112.43 1i16 n SER 121 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1i16 n SER 121 Cb 0.00 0.38 0.00 0.00 -0.26 0.00 0.00 64.21 64.33 1i16 n SER 121 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1i16 n LYS 122 N -2.21 0.00 0.00 4.33 5.02 -1.26 -4.90 118.16 119.14 1i16 n LYS 122 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1i16 n LYS 122 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.01 1i16 n LYS 122 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1i16 n GLU 123 N 0.00 0.00 -3.01 1.97 2.13 -1.26 -4.74 120.64 115.73 1i16 n GLU 123 Ca 0.00 0.00 -0.15 0.00 0.66 0.00 0.00 57.16 57.67 1i16 n GLU 123 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1i16 n GLU 123 CO 0.00 0.00 0.00 2.41 -0.41 0.00 0.00 177.13 179.13 1i16 n THR 124 N -1.06 -0.45 -3.38 6.31 -1.04 -1.26 -5.14 114.28 108.26 1i16 n THR 124 Ca 0.00 -2.43 -0.21 0.00 -2.04 0.00 0.00 64.05 59.37 1i16 n THR 124 Cb 0.00 -0.19 0.04 0.00 -1.82 0.00 0.00 70.33 68.36 1i16 n THR 124 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1i16 n THR 125 N 2.18 0.00 -1.39 12.58 5.66 -1.26 -5.14 114.28 126.92 1i16 n THR 125 Ca 0.19 -1.95 0.00 0.00 -3.05 0.00 0.00 64.05 59.24 1i16 n THR 125 Cb 0.55 -0.33 0.00 0.00 -1.55 0.00 0.00 70.33 69.00 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 -2.17 0.00 0.00 1.79 0.00 -1.26 -5.13 120.51 113.74 1i16 n ALA 126 Ca -0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1i16 n ALA 126 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 -3.43 0.00 0.00 -1.26 -5.13 120.51 107.68 1i16 n ALA 127 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1i16 n ALA 127 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.32 1i16 n ALA 127 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1i16 s GLY 128 N 0.00 1.73 -0.47 0.00 0.00 -1.26 -4.98 107.32 102.34 1i16 s GLY 128 Ca 0.00 -1.51 0.06 0.00 0.00 0.00 0.00 44.72 43.27 1i16 s GLY 128 CO 0.00 0.61 0.88 1.34 0.00 0.00 0.00 173.10 175.93 1i16 n ASP 129 N 4.76 -2.40 0.00 1.64 -0.08 -1.26 -5.38 116.55 113.84 1i16 n ASP 129 Ca -0.15 -3.29 0.00 0.00 -1.51 0.00 0.00 54.79 49.84 1i16 n ASP 129 Cb 0.47 1.52 0.00 0.00 2.34 0.00 0.00 41.12 45.45 1i16 n ASP 129 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12