#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 3.48 -0.21 3.17 0.04 -1.26 -4.47 135.00 135.75 1i16 s PRO 2 Ca 0.00 -1.34 -0.03 0.00 0.04 0.00 0.00 61.00 59.67 1i16 s PRO 2 Cb 0.00 -5.37 0.01 0.00 0.04 0.00 0.00 34.50 29.18 1i16 s PRO 2 CO 0.00 -2.58 0.07 -3.47 0.04 0.00 0.00 177.00 171.06 1i16 n ASP 3 N 9.98 -4.61 -1.34 6.66 2.03 -1.26 -4.85 116.55 123.16 1i16 n ASP 3 Ca 0.41 1.08 0.16 0.00 0.52 0.00 0.00 54.79 56.96 1i16 n ASP 3 Cb 0.48 -4.31 -0.06 0.00 -0.72 0.00 0.00 41.12 36.52 1i16 n ASP 3 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1i16 n LEU 4 N 0.80 -0.77 0.00 -2.67 4.77 -1.26 -4.76 117.00 113.11 1i16 n LEU 4 Ca -0.11 1.76 0.00 0.00 -0.03 0.00 0.00 56.01 57.63 1i16 n LEU 4 Cb 0.17 -4.32 0.00 0.00 -2.33 0.00 0.00 43.42 36.95 1i16 n LEU 4 CO 0.33 -2.66 0.01 0.59 -1.33 0.00 0.00 177.39 174.33 1i16 n ASN 5 N -4.31 0.00 0.00 -1.43 3.02 -1.26 -4.90 115.26 106.38 1i16 n ASN 5 Ca -0.03 0.36 0.00 0.00 -0.03 0.00 0.00 54.58 54.88 1i16 n ASN 5 Cb 0.66 -0.35 0.00 0.00 -0.61 0.00 0.00 39.78 39.49 1i16 n ASN 5 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 1i16 n SER 6 N -1.54 0.00 -2.39 6.41 2.88 -1.26 -4.91 113.62 112.81 1i16 n SER 6 Ca 0.00 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.44 1i16 n SER 6 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 1i16 n SER 6 CO 0.00 0.00 0.00 -0.24 -1.23 0.00 0.00 175.04 173.57 1i16 n SER 7 N 0.00 -2.28 -0.52 -3.46 2.88 -1.26 -4.73 113.62 104.25 1i16 n SER 7 Ca 0.00 -0.35 0.00 0.00 -1.33 0.00 0.00 58.87 57.19 1i16 n SER 7 Cb 0.00 -3.16 0.00 0.00 -0.75 0.00 0.00 64.21 60.30 1i16 n SER 7 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1i16 n THR 8 N -2.92 -2.36 -4.32 2.46 -1.04 -1.26 -5.08 114.28 99.76 1i16 n THR 8 Ca -0.15 0.76 -0.17 0.00 -2.04 0.00 0.00 64.05 62.45 1i16 n THR 8 Cb 0.59 -1.45 -0.10 0.00 -1.82 0.00 0.00 70.33 67.55 1i16 n THR 8 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1i16 s ASP 9 N -1.72 1.22 0.00 8.00 -1.08 -1.26 -5.06 116.67 116.77 1i16 s ASP 9 Ca 0.00 -1.39 0.00 0.00 -0.52 0.00 0.00 52.55 50.64 1i16 s ASP 9 Cb 0.00 0.17 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 1i16 s ASP 9 CO 0.00 -0.74 0.00 -1.54 0.52 0.00 0.00 175.17 173.41 1i16 n SER 10 N -0.49 0.00 -3.51 -0.34 3.41 -1.26 -5.04 113.62 106.39 1i16 n SER 10 Ca 0.00 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.41 1i16 n SER 10 Cb 0.66 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.67 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 0.00 -2.23 -3.54 7.33 0.00 -1.26 -4.98 120.51 115.83 1i16 n ALA 11 Ca 0.00 -0.07 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 1i16 n ALA 11 Cb 0.00 -3.45 -0.13 0.00 0.00 0.00 0.00 19.45 15.87 1i16 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1i16 s ALA 12 N -3.49 1.19 0.04 0.00 0.00 -1.26 -5.12 121.76 113.12 1i16 s ALA 12 Ca 0.20 -1.93 0.03 0.00 0.00 0.00 0.00 51.96 50.26 1i16 s ALA 12 Cb -0.04 -1.64 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1i16 s ALA 12 CO 0.78 -2.03 0.01 -1.54 0.00 0.00 0.00 175.76 172.98 1i16 s SER 13 N 1.05 5.14 0.68 0.00 1.04 -1.26 -5.00 113.70 115.35 1i16 s SER 13 Ca 0.17 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.54 1i16 s SER 13 Cb -0.22 -1.31 0.00 0.00 0.10 0.00 0.00 66.02 64.58 1i16 s SER 13 CO -0.04 0.23 0.00 0.00 0.98 0.00 0.00 173.24 174.41 1i16 n ALA 14 N 1.03 0.00 -0.07 5.32 0.00 -1.26 -4.69 120.51 120.84 1i16 n ALA 14 Ca -0.13 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.23 1i16 n ALA 14 Cb 0.52 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.94 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 -3.32 1.81 0.00 0.00 3.41 -1.26 -5.08 113.62 109.18 1i16 n SER 15 Ca 0.00 0.30 0.00 0.00 -0.26 0.00 0.00 58.87 58.91 1i16 n SER 15 Cb 0.00 -0.68 0.00 0.00 -0.26 0.00 0.00 64.21 63.27 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 -4.30 0.00 -2.69 7.33 0.00 -1.26 -5.02 120.51 114.57 1i16 n ALA 16 Ca -0.14 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.23 1i16 n ALA 16 Cb 0.46 0.00 0.08 0.00 0.00 0.00 0.00 19.45 19.99 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 -1.70 2.23 -3.79 0.00 0.00 -1.26 -4.99 120.51 111.00 1i16 n ALA 17 Ca 0.00 -2.08 -0.34 0.00 0.00 0.00 0.00 53.44 51.03 1i16 n ALA 17 Cb 0.00 -0.96 0.03 0.00 0.00 0.00 0.00 19.45 18.52 1i16 n ALA 17 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 1i16 n SER 18 N -0.42 -4.44 -3.98 0.00 3.41 -1.26 -0.31 113.62 106.62 1i16 n SER 18 Ca 0.02 -1.07 -0.31 0.00 -0.26 0.00 0.00 58.87 57.24 1i16 n SER 18 Cb 0.84 -3.00 0.01 0.00 -0.26 0.00 0.00 64.21 61.80 1i16 n SER 18 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1i16 n ASP 19 N -2.61 -4.15 -3.11 4.04 9.92 -1.26 -3.43 116.55 115.94 1i16 n ASP 19 Ca -0.12 -0.84 0.00 0.00 -0.53 0.00 0.00 54.79 53.29 1i16 n ASP 19 Cb 0.60 -3.59 0.00 0.00 -0.64 0.00 0.00 41.12 37.48 1i16 n ASP 19 CO 0.00 0.00 0.00 1.33 0.13 0.00 0.00 177.20 178.66 1i16 n VAL 20 N -4.59 -1.86 -3.96 2.53 0.24 0.58 -4.94 118.33 106.33 1i16 n VAL 20 Ca 0.02 0.44 -0.30 0.00 -2.04 0.00 0.00 64.34 62.46 1i16 n VAL 20 Cb 0.53 -2.88 -0.16 0.00 -1.47 0.00 0.00 33.84 29.86 1i16 n VAL 20 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1i16 s SER 21 N -0.89 3.74 -0.28 -1.34 1.04 -1.22 -5.08 113.70 109.68 1i16 s SER 21 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1i16 s SER 21 Cb 0.00 -1.20 0.09 0.00 0.10 0.00 0.00 66.02 65.01 1i16 s SER 21 CO 0.00 -0.21 0.05 -0.69 0.98 0.00 0.00 173.24 173.37 1i16 s VAL 22 N 1.39 1.20 0.30 5.02 1.01 -1.26 -5.07 120.40 122.99 1i16 s VAL 22 Ca -0.05 -1.41 -0.29 0.00 0.00 0.00 0.00 61.98 60.23 1i16 s VAL 22 Cb -0.18 -1.78 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 1i16 s VAL 22 CO -0.07 -0.48 1.34 -1.61 0.00 0.00 0.00 175.10 174.28 1i16 s GLU 23 N 1.48 4.34 0.00 2.72 2.02 -1.26 -4.97 118.70 123.03 1i16 s GLU 23 Ca 0.05 2.22 0.00 0.00 0.02 0.00 0.00 54.97 57.26 1i16 s GLU 23 Cb -0.18 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1i16 s GLU 23 CO -0.16 -0.25 0.44 0.43 0.02 0.00 0.00 175.26 175.73 1i16 n SER 24 N 1.38 0.00 -3.23 -0.19 7.64 -1.26 -4.96 113.62 113.00 1i16 n SER 24 Ca 0.02 0.56 -0.15 0.00 1.01 0.00 0.00 58.87 60.32 1i16 n SER 24 Cb 0.41 -0.28 0.07 0.00 -1.01 0.00 0.00 64.21 63.40 1i16 n SER 24 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1i16 n THR 25 N -1.35 -9.13 -3.58 0.44 -1.04 -1.26 -4.86 114.28 93.49 1i16 n THR 25 Ca 0.00 -1.34 -0.28 0.00 -2.04 0.00 0.00 64.05 60.39 1i16 n THR 25 Cb 0.00 -6.50 -0.12 0.00 -1.82 0.00 0.00 70.33 61.89 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 -3.39 1.96 0.00 2.41 0.00 -1.26 -4.88 121.76 116.60 1i16 s ALA 26 Ca 0.45 -2.64 0.00 0.00 0.00 0.00 0.00 51.96 49.78 1i16 s ALA 26 Cb -0.06 -1.78 0.00 0.00 0.00 0.00 0.00 23.12 21.28 1i16 s ALA 26 CO 0.73 -2.04 0.00 0.39 0.00 0.00 0.00 175.76 174.84 1i16 n GLU 27 N 3.09 0.00 -2.51 0.00 1.02 -1.26 -5.18 120.64 115.80 1i16 n GLU 27 Ca 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.33 1i16 n GLU 27 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.82 1i16 n GLU 27 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1i16 n ALA 28 N 0.00 0.00 -3.57 0.62 0.00 -1.26 -5.02 120.51 111.28 1i16 n ALA 28 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.17 1i16 n ALA 28 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1i16 n ALA 28 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1i16 s THR 29 N -1.68 1.33 0.08 0.00 -4.23 0.26 -4.91 115.64 106.50 1i16 s THR 29 Ca 0.00 -0.56 0.04 0.00 -1.18 0.00 0.00 61.69 59.99 1i16 s THR 29 Cb 0.00 -1.22 -0.04 0.00 1.34 0.00 0.00 72.50 72.58 1i16 s THR 29 CO 0.00 0.41 0.01 -0.69 -0.54 0.00 0.00 174.62 173.81 1i16 s VAL 30 N 0.89 4.12 -0.40 2.29 1.01 -1.26 0.28 120.40 127.32 1i16 s VAL 30 Ca -0.10 -0.91 0.02 0.00 0.00 0.00 0.00 61.98 61.00 1i16 s VAL 30 Cb -0.15 -2.95 0.15 0.00 0.00 0.00 0.00 36.38 33.43 1i16 s VAL 30 CO 0.01 0.15 0.27 0.00 0.00 0.00 0.00 175.10 175.52 1i16 s THR 32 N 0.55 3.97 0.17 0.00 2.01 -1.26 -3.51 115.64 117.58 1i16 s THR 32 Ca 0.23 1.06 0.02 0.00 0.31 0.00 0.00 61.69 63.31 1i16 s THR 32 Cb -0.14 -4.09 -0.05 0.00 0.01 0.00 0.00 72.50 68.24 1i16 s THR 32 CO -0.07 -0.54 0.00 0.68 -0.69 0.00 0.00 174.62 174.01 1i16 s VAL 33 N 4.93 0.64 -0.08 3.82 -7.23 -0.10 -4.93 120.40 117.45 1i16 s VAL 33 Ca 0.61 -1.97 0.03 0.00 -1.81 0.00 0.00 61.98 58.84 1i16 s VAL 33 Cb -0.17 -2.11 -0.02 0.00 0.56 0.00 0.00 36.38 34.64 1i16 s VAL 33 CO 0.28 -0.48 -0.17 0.42 -0.31 0.00 0.00 175.10 174.83 1i16 s THR 34 N -3.68 2.76 -0.87 5.32 -4.23 -1.26 0.31 115.64 113.99 1i16 s THR 34 Ca 0.24 -0.81 0.01 0.00 -1.18 0.00 0.00 61.69 59.95 1i16 s THR 34 Cb 0.06 -2.08 0.32 0.00 1.34 0.00 0.00 72.50 72.14 1i16 s THR 34 CO 0.04 0.57 1.44 0.18 -0.54 0.00 0.00 174.62 176.31 1i16 n LEU 35 N 2.86 6.13 0.00 4.79 7.99 0.60 -4.35 117.00 135.02 1i16 n LEU 35 Ca -0.18 -5.47 0.00 0.00 -0.01 0.00 0.00 56.01 50.36 1i16 n LEU 35 Cb 0.52 -0.96 0.00 0.00 -0.11 0.00 0.00 43.42 42.87 1i16 n LEU 35 CO 0.27 2.11 0.00 -1.84 -1.51 0.00 0.00 177.39 176.41 1i16 n GLU 36 N 0.10 0.00 -2.81 3.23 0.28 -1.26 -4.26 120.64 115.93 1i16 n GLU 36 Ca 0.38 0.00 -0.42 0.00 -0.16 0.00 0.00 57.16 56.96 1i16 n GLU 36 Cb 0.32 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.15 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 4.01 -0.08 3.44 2.20 0.74 -4.87 119.74 125.18 1i16 s LYS 37 Ca 0.00 0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 56.38 1i16 s LYS 37 Cb 0.00 -3.73 -0.03 0.00 -1.51 0.00 0.00 37.83 32.56 1i16 s LYS 37 CO 0.00 -0.76 -0.10 -1.33 -0.36 0.00 0.00 175.35 172.79 1i16 n MET 38 N 6.47 0.17 -2.26 4.03 2.81 -1.26 -0.99 117.12 126.09 1i16 n MET 38 Ca 0.07 0.08 -0.02 0.00 -1.81 0.00 0.00 57.70 56.01 1i16 n MET 38 Cb 0.48 -0.79 0.01 0.00 -0.71 0.00 0.00 33.22 32.20 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 -3.37 -0.80 -0.81 7.83 2.88 -1.26 -4.85 113.62 113.24 1i16 n SER 39 Ca -0.16 -1.50 -0.00 0.00 -1.33 0.00 0.00 58.87 55.88 1i16 n SER 39 Cb 0.61 0.63 -0.01 0.00 -0.75 0.00 0.00 64.21 64.69 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 -0.43 2.35 -4.03 -1.46 0.00 -1.26 -5.01 120.51 110.67 1i16 n ALA 40 Ca -0.16 -1.03 -0.28 0.00 0.00 0.00 0.00 53.44 51.96 1i16 n ALA 40 Cb 0.62 -0.41 -0.03 0.00 0.00 0.00 0.00 19.45 19.63 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 0.12 -0.27 2.42 0.00 0.00 -1.26 0.13 105.19 106.32 1i16 n GLY 41 Ca -0.03 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.46 0.23 -0.74 0.99 4.77 -1.26 -2.59 117.00 113.93 1i16 n LEU 42 Ca -0.30 0.07 -0.05 0.00 -0.03 0.00 0.00 56.01 55.71 1i16 n LEU 42 Cb 0.68 -1.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.05 1i16 n LEU 42 CO 0.77 -0.59 -0.04 0.61 -1.33 0.00 0.00 177.39 176.81 1i16 n GLY 43 N 0.38 0.44 3.09 -0.72 0.00 0.34 -4.71 105.19 104.00 1i16 n GLY 43 Ca -0.03 0.00 -0.14 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 -1.14 0.79 0.06 1.61 -0.71 -1.07 0.28 117.98 117.79 1i16 s PHE 44 Ca 0.00 -0.51 0.06 0.00 -1.04 0.00 0.00 56.93 55.44 1i16 s PHE 44 Cb 0.00 -0.46 -0.03 0.00 -1.21 0.00 0.00 43.02 41.32 1i16 s PHE 44 CO 0.00 -0.06 -0.17 -1.12 -1.34 0.00 0.00 175.22 172.54 1i16 s SER 45 N -1.68 2.00 0.00 1.98 0.01 -0.98 -5.00 113.70 110.02 1i16 s SER 45 Ca -0.07 -0.55 -0.01 0.00 1.31 0.00 0.00 55.95 56.63 1i16 s SER 45 Cb -0.09 -0.12 -0.04 0.00 0.21 0.00 0.00 66.02 65.98 1i16 s SER 45 CO 0.01 0.04 0.12 -0.76 0.41 0.00 0.00 173.24 173.05 1i16 s LEU 46 N -1.44 4.06 0.06 2.44 1.02 -1.26 -1.98 118.68 121.58 1i16 s LEU 46 Ca 0.03 0.20 0.01 0.00 0.02 0.00 0.00 54.13 54.39 1i16 s LEU 46 Cb -0.09 -2.41 -0.03 0.00 0.02 0.00 0.00 46.19 43.67 1i16 s LEU 46 CO 0.02 0.26 -0.06 -1.61 0.02 0.00 0.00 176.35 174.99 1i16 s GLU 47 N -1.86 0.62 0.00 1.70 0.41 0.37 -4.82 118.70 115.12 1i16 s GLU 47 Ca 0.25 -1.03 0.00 0.00 -0.41 0.00 0.00 54.97 53.78 1i16 s GLU 47 Cb -0.12 -0.09 0.00 0.00 -1.78 0.00 0.00 34.13 32.14 1i16 s GLU 47 CO 0.16 -0.02 0.00 0.41 -0.49 0.00 0.00 175.26 175.32 1i16 n GLY 48 N 0.68 0.56 0.00 -1.39 0.00 -1.26 -1.13 105.19 102.65 1i16 n GLY 48 Ca -0.17 -0.85 0.00 0.00 0.00 0.00 0.00 46.02 44.99 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 2.13 3.53 -0.02 0.00 -1.17 -4.91 105.19 104.75 1i16 n GLY 49 Ca 0.00 -0.58 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 1i16 n GLY 49 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1i16 s LYS 50 N 1.34 3.37 0.00 1.61 2.47 -1.16 -4.14 119.74 123.23 1i16 s LYS 50 Ca 0.00 -0.20 0.00 0.00 -1.56 0.00 0.00 55.97 54.21 1i16 s LYS 50 Cb 0.00 -3.98 0.00 0.00 -1.46 0.00 0.00 37.83 32.39 1i16 s LYS 50 CO 0.00 -1.23 0.00 0.41 0.16 0.00 0.00 175.35 174.69 1i16 n GLY 51 N 5.03 0.82 2.59 5.54 0.00 0.19 -3.55 105.19 115.82 1i16 n GLY 51 Ca 0.02 0.22 -0.11 0.00 0.00 0.00 0.00 46.02 46.15 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 1.47 -1.33 -0.09 1.61 7.64 -1.26 0.32 113.62 121.98 1i16 n SER 52 Ca 0.00 -3.32 -0.06 0.00 1.01 0.00 0.00 58.87 56.50 1i16 n SER 52 Cb 0.00 1.07 0.01 0.00 -1.01 0.00 0.00 64.21 64.28 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 2.86 -0.14 -1.64 -3.43 7.12 -1.94 -3.33 115.31 114.82 1i16 h LEU 53 Ca -0.08 0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.01 1i16 h LEU 53 Cb 1.10 0.14 0.00 0.00 -0.53 0.00 0.00 40.66 41.37 1i16 h LEU 53 CO 0.21 -0.03 -0.15 0.00 -0.13 0.00 0.00 178.44 178.34 1i16 n HIS 54 N -5.18 0.00 0.00 1.25 1.44 -1.26 -5.06 115.22 106.41 1i16 n HIS 54 Ca 0.01 -0.12 0.00 0.00 -2.01 0.00 0.00 57.72 55.60 1i16 n HIS 54 Cb 0.17 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.25 1i16 n HIS 54 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1i16 n GLY 55 N -0.14 1.38 2.94 -1.39 0.00 -1.25 -5.12 105.19 101.61 1i16 n GLY 55 Ca 0.01 0.27 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 1i16 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1i16 s ASP 56 N 1.90 -1.34 -0.57 1.61 1.11 -1.26 -4.74 116.67 113.38 1i16 s ASP 56 Ca 0.00 -1.15 0.04 0.00 0.18 0.00 0.00 52.55 51.62 1i16 s ASP 56 Cb 0.00 1.73 0.15 0.00 1.07 0.00 0.00 42.92 45.87 1i16 s ASP 56 CO 0.00 -0.10 0.35 -1.59 1.18 0.00 0.00 175.17 175.02 1i16 s LYS 57 N 1.35 1.97 0.54 8.23 0.00 0.94 -4.90 119.74 127.88 1i16 s LYS 57 Ca 0.23 -2.77 -0.08 0.00 0.00 0.00 0.00 55.97 53.35 1i16 s LYS 57 Cb -0.01 -3.05 -0.04 0.00 0.00 0.00 0.00 37.83 34.73 1i16 s LYS 57 CO -0.07 -1.21 0.90 -1.25 0.00 0.00 0.00 175.35 173.72 1i16 s PRO 58 N -0.62 3.58 -0.01 1.78 0.04 -1.15 0.52 135.00 139.14 1i16 s PRO 58 Ca 0.21 0.46 -0.19 0.00 0.04 0.00 0.00 61.00 61.53 1i16 s PRO 58 Cb -0.15 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.10 1i16 s PRO 58 CO -0.08 -0.37 0.54 -0.51 0.04 0.00 0.00 177.00 176.63 1i16 s LEU 59 N -4.92 4.41 0.01 -3.56 1.02 -1.26 -3.05 118.68 111.33 1i16 s LEU 59 Ca 0.51 1.08 -0.17 0.00 0.02 0.00 0.00 54.13 55.57 1i16 s LEU 59 Cb -0.11 -2.83 0.03 0.00 0.02 0.00 0.00 46.19 43.30 1i16 s LEU 59 CO 0.49 0.14 0.37 0.42 0.02 0.00 0.00 176.35 177.78 1i16 s THR 60 N -0.28 0.06 -0.17 5.49 -4.23 -0.28 -2.23 115.64 113.99 1i16 s THR 60 Ca 0.29 -0.47 -0.29 0.00 -1.18 0.00 0.00 61.69 60.04 1i16 s THR 60 Cb -0.18 -0.80 -0.00 0.00 1.34 0.00 0.00 72.50 72.86 1i16 s THR 60 CO 0.16 -0.26 1.02 -0.63 -0.54 0.00 0.00 174.62 174.37 1i16 s ILE 61 N -1.85 4.74 -0.25 2.99 1.01 -1.15 0.14 121.20 126.83 1i16 s ILE 61 Ca -0.10 2.02 -0.08 0.00 0.00 0.00 0.00 60.65 62.49 1i16 s ILE 61 Cb -0.03 -4.31 -0.12 0.00 0.01 0.00 0.00 42.46 38.01 1i16 s ILE 61 CO 0.02 -0.09 -0.29 -0.46 0.00 0.00 0.00 174.94 174.12 1i16 n ASN 62 N 5.67 1.90 -3.97 3.58 6.94 -0.84 -0.82 115.26 127.73 1i16 n ASN 62 Ca 0.10 0.18 -0.31 0.00 -0.02 0.00 0.00 54.58 54.53 1i16 n ASN 62 Cb 0.47 -0.64 -0.15 0.00 -2.36 0.00 0.00 39.78 37.10 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 -2.47 1.55 -0.04 -3.83 0.52 -1.25 -4.90 118.95 108.53 1i16 s ARG 63 Ca -0.35 -1.44 -0.04 0.00 -0.52 0.00 0.00 55.73 53.37 1i16 s ARG 63 Cb 0.12 -2.82 -0.04 0.00 0.52 0.00 0.00 34.95 32.73 1i16 s ARG 63 CO 0.48 -0.79 0.18 0.42 0.02 0.00 0.00 175.30 175.61 1i16 s ILE 64 N 1.16 5.44 -0.11 1.52 1.01 -1.26 -2.33 121.20 126.64 1i16 s ILE 64 Ca 0.03 -0.01 -0.11 0.00 0.00 0.00 0.00 60.65 60.56 1i16 s ILE 64 Cb -0.19 -3.50 -0.05 0.00 0.01 0.00 0.00 42.46 38.73 1i16 s ILE 64 CO -0.09 0.42 -0.23 0.49 0.00 0.00 0.00 174.94 175.52 1i16 n PHE 65 N 1.29 0.00 -3.71 3.97 3.72 0.79 -4.96 117.46 118.55 1i16 n PHE 65 Ca -0.14 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.13 1i16 n PHE 65 Cb 0.53 -0.40 -0.13 0.00 -0.94 0.00 0.00 39.48 38.54 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 -2.55 0.18 0.00 -1.08 2.20 -1.24 -5.07 119.74 112.17 1i16 s LYS 66 Ca -0.21 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 55.96 1i16 s LYS 66 Cb 0.04 -0.12 0.00 0.00 -1.51 0.00 0.00 37.83 36.24 1i16 s LYS 66 CO 0.29 -0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.50 1i16 n GLY 67 N 4.48 0.60 2.62 5.54 0.00 -1.26 -4.62 105.19 112.54 1i16 n GLY 67 Ca -0.21 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.66 -1.19 4.61 0.00 -1.26 -4.88 120.51 111.13 1i16 n ALA 68 Ca 0.00 1.89 -0.06 0.00 0.00 0.00 0.00 53.44 55.26 1i16 n ALA 68 Cb 0.00 -3.69 0.06 0.00 0.00 0.00 0.00 19.45 15.83 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 1.40 -0.63 0.24 0.00 0.00 -1.15 -4.81 120.51 115.56 1i16 n ALA 69 Ca -0.30 -0.50 0.08 0.00 0.00 0.00 0.00 53.44 52.72 1i16 n ALA 69 Cb 0.47 -0.03 0.61 0.00 0.00 0.00 0.00 19.45 20.50 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 -0.84 0.00 0.00 0.00 0.02 -1.92 -3.39 113.55 107.42 1i16 h SER 70 Ca -0.12 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.83 1i16 h SER 70 Cb 0.35 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.89 1i16 h SER 70 CO 0.09 0.15 0.00 -0.62 -1.14 0.00 0.00 176.83 175.30 1i16 n GLU 71 N -4.07 0.00 -2.65 3.45 1.02 -1.26 -5.04 120.64 112.09 1i16 n GLU 71 Ca -0.02 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.99 1i16 n GLU 71 Cb 0.23 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 31.67 1i16 n GLU 71 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1i16 n GLN 72 N 0.00 1.52 0.00 3.49 6.02 -1.26 -5.11 117.38 122.03 1i16 n GLN 72 Ca 0.00 -3.47 0.00 0.00 -0.01 0.00 0.00 57.00 53.52 1i16 n GLN 72 Cb 0.00 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 29.83 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 -0.12 -0.61 -4.75 1.08 3.41 -1.26 -4.37 113.62 107.00 1i16 n SER 73 Ca 0.15 0.00 -0.41 0.00 -0.26 0.00 0.00 58.87 58.34 1i16 n SER 73 Cb 0.79 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.72 1i16 n SER 73 CO 0.00 0.00 0.00 -1.83 -0.16 0.00 0.00 175.04 173.05 1i16 s GLU 74 N 0.00 4.15 -0.30 4.33 1.03 -1.26 -2.94 118.70 123.70 1i16 s GLU 74 Ca 0.00 2.53 0.12 0.00 0.03 0.00 0.00 54.97 57.65 1i16 s GLU 74 Cb 0.00 -3.04 0.47 0.00 -0.80 0.00 0.00 34.13 30.76 1i16 s GLU 74 CO 0.00 -0.59 1.14 -2.37 -1.33 0.00 0.00 175.26 172.11 1i16 n THR 75 N 2.17 2.09 -3.87 1.83 5.66 -1.26 -4.86 114.28 116.03 1i16 n THR 75 Ca 0.08 -3.91 -0.09 0.00 -3.05 0.00 0.00 64.05 57.08 1i16 n THR 75 Cb 0.38 -0.41 -0.08 0.00 -1.55 0.00 0.00 70.33 68.67 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 -4.43 0.14 -0.16 1.08 -7.23 -1.26 -4.88 120.40 103.67 1i16 s VAL 76 Ca 0.43 -1.15 -0.12 0.00 -1.81 0.00 0.00 61.98 59.32 1i16 s VAL 76 Cb 0.39 -1.24 0.05 0.00 0.56 0.00 0.00 36.38 36.14 1i16 s VAL 76 CO -0.01 -0.64 0.40 0.00 -0.31 0.00 0.00 175.10 174.55 1i16 s GLN 77 N -3.52 0.44 0.17 4.82 0.00 -1.26 -5.11 119.66 115.20 1i16 s GLN 77 Ca 0.02 0.63 -0.30 0.00 -0.00 0.00 0.00 55.36 55.72 1i16 s GLN 77 Cb 0.03 0.14 -0.07 0.00 0.00 0.00 0.00 33.01 33.12 1i16 s GLN 77 CO -0.09 -0.09 1.00 -1.25 0.00 0.00 0.00 175.29 174.86 1i16 s PRO 78 N 0.60 4.71 0.00 9.60 0.04 -1.26 -3.22 135.00 145.47 1i16 s PRO 78 Ca -0.03 1.55 0.00 0.00 0.04 0.00 0.00 61.00 62.56 1i16 s PRO 78 Cb -0.05 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.18 1i16 s PRO 78 CO -0.04 0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.68 1i16 n GLY 79 N 1.93 0.21 3.74 0.56 0.00 0.00 -4.91 105.19 106.73 1i16 n GLY 79 Ca 0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.11 5.08 -0.96 1.61 -4.77 -1.20 -4.66 116.67 109.66 1i16 s ASP 80 Ca 0.00 2.69 -0.17 0.00 -3.30 0.00 0.00 52.55 51.77 1i16 s ASP 80 Cb 0.00 -2.63 0.16 0.00 -1.09 0.00 0.00 42.92 39.36 1i16 s ASP 80 CO 0.00 -1.69 1.11 -0.70 0.70 0.00 0.00 175.17 174.59 1i16 s GLU 81 N -3.07 3.69 -0.21 2.11 2.12 -1.25 -2.91 118.70 119.18 1i16 s GLU 81 Ca 0.75 -2.04 -0.25 0.00 0.36 0.00 0.00 54.97 53.79 1i16 s GLU 81 Cb -0.39 -4.85 -0.01 0.00 0.26 0.00 0.00 34.13 29.15 1i16 s GLU 81 CO 0.44 -1.67 0.85 0.42 -0.54 0.00 0.00 175.26 174.75 1i16 s ILE 82 N 1.98 4.84 -0.15 -3.70 1.09 -0.95 -1.81 121.20 122.52 1i16 s ILE 82 Ca 0.32 1.63 -0.23 0.00 -1.10 0.00 0.00 60.65 61.27 1i16 s ILE 82 Cb -0.06 -4.14 -0.20 0.00 -1.06 0.00 0.00 42.46 37.00 1i16 s ILE 82 CO -0.08 -0.04 0.52 -0.07 -0.10 0.00 0.00 174.94 175.17 1i16 h LEU 83 N 8.83 0.00 -9.05 2.97 3.38 -1.81 -3.41 115.31 116.23 1i16 h LEU 83 Ca -0.25 -0.73 -0.44 0.00 0.09 0.00 0.00 57.88 56.55 1i16 h LEU 83 Cb 1.11 0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.72 1i16 h LEU 83 CO 0.87 1.02 -0.65 0.00 0.09 0.00 0.00 178.44 179.76 1i16 s GLN 84 N -2.16 1.48 -0.07 1.13 -2.07 -1.26 -1.87 119.66 114.85 1i16 s GLN 84 Ca -0.18 -1.77 -0.03 0.00 -1.82 0.00 0.00 55.36 51.57 1i16 s GLN 84 Cb -0.01 -0.86 0.04 0.00 -1.09 0.00 0.00 33.01 31.09 1i16 s GLN 84 CO 0.56 -0.07 0.13 -1.17 -1.32 0.00 0.00 175.29 173.42 1i16 s LEU 85 N -3.39 0.40 0.00 2.60 2.96 0.51 -3.57 118.68 118.19 1i16 s LEU 85 Ca 0.30 0.27 0.00 0.00 -0.22 0.00 0.00 54.13 54.49 1i16 s LEU 85 Cb 0.06 0.25 0.00 0.00 0.50 0.00 0.00 46.19 46.99 1i16 s LEU 85 CO 0.11 -0.19 0.00 0.61 -1.32 0.00 0.00 176.35 175.56 1i16 n GLY 86 N 4.73 0.52 2.60 7.98 0.00 0.33 0.03 105.19 121.39 1i16 n GLY 86 Ca -0.16 0.14 -0.29 0.00 0.00 0.00 0.00 46.02 45.71 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 0.00 5.90 3.63 -0.02 0.00 -1.26 -4.68 105.19 108.76 1i16 n GLY 87 Ca 0.00 -2.73 -0.13 0.00 0.00 0.00 0.00 46.02 43.16 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 -5.32 0.00 -0.14 2.61 -1.32 0.10 -4.57 115.64 107.00 1i16 s THR 88 Ca 0.48 0.00 -0.02 0.00 -1.21 0.00 0.00 61.69 60.94 1i16 s THR 88 Cb 0.39 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 70.42 1i16 s THR 88 CO -0.21 0.00 0.02 0.00 -2.21 0.00 0.00 174.62 172.21 1i16 s ALA 89 N 0.49 0.89 0.03 11.08 0.00 -1.26 0.19 121.76 133.18 1i16 s ALA 89 Ca -0.01 -0.45 -0.19 0.00 0.00 0.00 0.00 51.96 51.31 1i16 s ALA 89 Cb -0.05 -0.99 -0.18 0.00 0.00 0.00 0.00 23.12 21.91 1i16 s ALA 89 CO -0.01 -0.85 1.23 1.98 0.00 0.00 0.00 175.76 178.12 1i16 h MET 90 N 8.28 0.43 -1.32 0.00 4.05 -1.71 -3.23 114.93 121.43 1i16 h MET 90 Ca -0.18 -0.32 0.38 0.00 -0.28 0.00 0.00 59.70 59.30 1i16 h MET 90 Cb 1.12 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 31.93 1i16 h MET 90 CO 0.31 0.95 1.12 1.04 0.23 0.00 0.00 176.91 180.55 1i16 n GLN 91 N -4.36 0.01 -2.20 0.39 3.00 -1.26 0.32 117.38 113.28 1i16 n GLN 91 Ca -0.08 0.88 -0.30 0.00 -0.01 0.00 0.00 57.00 57.50 1i16 n GLN 91 Cb 0.52 -2.10 0.02 0.00 0.00 0.00 0.00 30.24 28.68 1i16 n GLN 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1i16 n GLY 92 N -1.68 5.97 0.00 1.08 0.00 -1.22 -4.98 105.19 104.36 1i16 n GLY 92 Ca 0.30 -2.66 0.00 0.00 0.00 0.00 0.00 46.02 43.66 1i16 n GLY 92 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1i16 n LEU 93 N -0.56 0.00 -4.57 0.99 4.32 0.96 -5.00 117.00 113.14 1i16 n LEU 93 Ca 0.45 0.00 -0.24 0.00 -0.02 0.00 0.00 56.01 56.19 1i16 n LEU 93 Cb 0.63 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.33 1i16 n LEU 93 CO 0.41 0.00 -0.38 -0.89 -1.22 0.00 0.00 177.39 175.32 1i16 s THR 94 N -2.42 2.63 0.12 -5.08 2.01 -1.26 -4.89 115.64 106.75 1i16 s THR 94 Ca 0.00 -2.14 -0.23 0.00 0.31 0.00 0.00 61.69 59.63 1i16 s THR 94 Cb 0.00 -2.62 -0.04 0.00 0.01 0.00 0.00 72.50 69.85 1i16 s THR 94 CO 0.00 -0.29 1.67 -0.09 -0.69 0.00 0.00 174.62 175.22 1i16 h ARG 95 N 2.00 -0.21 -0.10 4.92 1.12 -1.91 -1.34 114.38 118.87 1i16 h ARG 95 Ca -0.42 0.01 -0.01 0.00 -1.11 0.00 0.00 59.98 58.46 1i16 h ARG 95 Cb 1.25 0.05 -0.00 0.00 -0.01 0.00 0.00 29.97 31.26 1i16 h ARG 95 CO 0.65 -0.14 0.04 0.74 -3.11 0.00 0.00 179.97 178.15 1i16 h PHE 96 N -0.22 0.14 -0.77 2.20 -1.00 -1.95 -2.57 116.94 112.78 1i16 h PHE 96 Ca 0.08 -0.01 0.17 0.00 2.81 0.00 0.00 57.97 61.02 1i16 h PHE 96 Cb 0.33 -0.04 -0.11 0.00 3.61 0.00 0.00 35.95 39.73 1i16 h PHE 96 CO -0.25 0.24 0.24 0.93 -1.61 0.00 0.00 178.31 177.87 1i16 h GLU 97 N 0.00 0.32 -0.01 1.51 5.08 -1.92 -2.36 114.58 117.21 1i16 h GLU 97 Ca 0.03 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1i16 h GLU 97 Cb 0.16 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1i16 h GLU 97 CO -0.00 0.21 -0.04 0.00 -1.00 0.00 0.00 179.01 178.18 1i16 h ALA 98 N 1.62 -0.45 0.00 3.43 0.00 -0.82 0.11 119.26 123.16 1i16 h ALA 98 Ca 0.44 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.35 1i16 h ALA 98 Cb 0.76 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.18 1i16 h ALA 98 CO -0.50 -0.46 0.13 2.35 0.00 0.00 0.00 179.25 180.78 1i16 h TRP 99 N -0.04 0.00 0.07 0.00 -0.00 -1.45 -2.24 115.95 112.28 1i16 h TRP 99 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.79 1i16 h TRP 99 Cb 0.05 0.00 0.01 0.00 -0.00 0.00 0.00 29.16 29.22 1i16 h TRP 99 CO -0.47 0.00 -0.49 -0.91 -0.00 0.00 0.00 178.44 176.56 1i16 h ASN 100 N 0.00 0.22 -0.91 2.65 2.35 -0.53 -3.19 115.58 116.17 1i16 h ASN 100 Ca 0.00 -0.95 0.14 0.00 -0.55 0.00 0.00 56.30 54.94 1i16 h ASN 100 Cb 0.27 -0.07 -0.09 0.00 0.05 0.00 0.00 38.32 38.48 1i16 h ASN 100 CO 0.00 1.23 0.52 0.40 -1.65 0.00 0.00 177.43 177.93 1i16 h ILE 101 N -0.70 0.80 0.67 2.81 5.03 -0.24 -2.55 117.51 123.33 1i16 h ILE 101 Ca -0.10 -0.26 -0.03 0.00 -0.12 0.00 0.00 64.86 64.35 1i16 h ILE 101 Cb 1.33 -0.03 0.01 0.00 -3.03 0.00 0.00 36.82 35.10 1i16 h ILE 101 CO 0.06 0.14 -0.32 0.40 -0.68 0.00 0.00 178.15 177.74 1i16 h ILE 102 N 0.76 0.19 -1.49 -0.67 2.04 -1.66 -2.19 117.51 114.51 1i16 h ILE 102 Ca 0.48 -0.26 0.43 0.00 1.00 0.00 0.00 64.86 66.51 1i16 h ILE 102 Cb 0.62 0.25 -0.06 0.00 -0.74 0.00 0.00 36.82 36.89 1i16 h ILE 102 CO -0.33 0.02 1.21 0.11 0.00 0.00 0.00 178.15 179.17 1i16 h LYS 103 N -1.11 0.00 -0.01 2.37 1.57 -1.45 2.74 116.57 120.68 1i16 h LYS 103 Ca -0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 1i16 h LYS 103 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.03 1i16 h LYS 103 CO 0.15 0.00 -0.07 0.00 -0.57 0.00 0.00 179.45 178.96 1i16 n ALA 104 N -2.68 2.72 -1.95 3.86 0.00 -0.84 -4.90 120.51 116.73 1i16 n ALA 104 Ca 0.33 -0.35 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 1i16 n ALA 104 Cb 1.67 -1.27 0.16 0.00 0.00 0.00 0.00 19.45 20.01 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 -2.20 2.80 0.87 0.00 2.34 0.92 -5.08 118.68 118.33 1i16 s LEU 105 Ca 0.35 0.03 -0.12 0.00 0.06 0.00 0.00 54.13 54.45 1i16 s LEU 105 Cb 0.21 -2.15 0.14 0.00 -0.56 0.00 0.00 46.19 43.83 1i16 s LEU 105 CO 0.41 -2.48 1.22 -2.16 -1.06 0.00 0.00 176.35 172.27 1i16 s PRO 106 N -5.66 1.27 -0.74 1.48 0.04 -1.26 -5.01 135.00 125.12 1i16 s PRO 106 Ca 0.72 -0.33 -0.16 0.00 0.04 0.00 0.00 61.00 61.26 1i16 s PRO 106 Cb -0.04 -1.96 0.16 0.00 0.04 0.00 0.00 34.50 32.70 1i16 s PRO 106 CO 0.50 -1.96 0.78 -0.51 0.04 0.00 0.00 177.00 175.85 1i16 s ASP 107 N -4.75 6.51 0.00 6.66 1.01 -1.26 -4.88 116.67 119.96 1i16 s ASP 107 Ca 0.68 -2.12 0.00 0.00 0.71 0.00 0.00 52.55 51.83 1i16 s ASP 107 Cb -0.07 -2.27 0.00 0.00 1.01 0.00 0.00 42.92 41.60 1i16 s ASP 107 CO 0.50 -0.85 0.00 0.61 0.21 0.00 0.00 175.17 175.65 1i16 n GLY 108 N 4.78 4.27 3.55 0.21 0.00 -0.16 -4.72 105.19 113.12 1i16 n GLY 108 Ca 0.06 -0.50 -0.40 0.00 0.00 0.00 0.00 46.02 45.18 1i16 n GLY 108 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1i16 s PRO 109 N 3.94 3.20 -0.41 1.61 0.04 -1.26 0.26 135.00 142.38 1i16 s PRO 109 Ca 0.00 -0.40 -0.23 0.00 0.04 0.00 0.00 61.00 60.40 1i16 s PRO 109 Cb 0.00 -4.61 0.02 0.00 0.04 0.00 0.00 34.50 29.94 1i16 s PRO 109 CO 0.00 -2.32 0.80 0.54 0.04 0.00 0.00 177.00 176.06 1i16 s VAL 110 N 6.22 4.67 -0.12 -0.36 0.11 -1.26 -4.85 120.40 124.80 1i16 s VAL 110 Ca 0.45 0.71 -0.22 0.00 -2.93 0.00 0.00 61.98 59.98 1i16 s VAL 110 Cb -0.06 -4.27 -0.03 0.00 -1.53 0.00 0.00 36.38 30.48 1i16 s VAL 110 CO 0.07 -0.58 0.66 -0.89 -3.33 0.00 0.00 175.10 171.03 1i16 s THR 111 N 3.24 5.04 0.13 5.04 2.01 -1.26 0.22 115.64 130.06 1i16 s THR 111 Ca 0.31 1.32 0.04 0.00 0.31 0.00 0.00 61.69 63.68 1i16 s THR 111 Cb -0.12 -3.99 -0.04 0.00 0.01 0.00 0.00 72.50 68.36 1i16 s THR 111 CO 0.20 0.20 0.10 0.27 -0.69 0.00 0.00 174.62 174.70 1i16 s ILE 112 N 1.22 4.45 -0.38 1.82 -4.36 0.90 0.12 121.20 124.97 1i16 s ILE 112 Ca 0.33 -0.97 0.01 0.00 -0.26 0.00 0.00 60.65 59.77 1i16 s ILE 112 Cb -0.17 -3.21 0.14 0.00 1.25 0.00 0.00 42.46 40.47 1i16 s ILE 112 CO 0.14 -0.00 0.23 -0.69 0.24 0.00 0.00 174.94 174.86 1i16 s VAL 113 N -1.58 0.40 -0.11 8.37 1.01 -1.23 -0.92 120.40 126.32 1i16 s VAL 113 Ca 0.30 -1.99 -0.06 0.00 0.00 0.00 0.00 61.98 60.23 1i16 s VAL 113 Cb -0.11 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.94 1i16 s VAL 113 CO 0.22 -1.01 0.10 0.27 0.00 0.00 0.00 175.10 174.69 1i16 s ILE 114 N 0.80 5.16 -0.29 2.22 -5.25 -1.23 -2.60 121.20 120.01 1i16 s ILE 114 Ca 0.20 0.08 -0.01 0.00 -0.99 0.00 0.00 60.65 59.93 1i16 s ILE 114 Cb -0.20 -3.23 0.05 0.00 2.95 0.00 0.00 42.46 42.03 1i16 s ILE 114 CO -0.02 0.61 -0.02 -0.60 -1.79 0.00 0.00 174.94 173.12 1i16 s ARG 115 N -0.93 2.41 0.66 0.37 3.52 -0.75 -0.33 118.95 123.91 1i16 s ARG 115 Ca 0.14 -1.27 0.03 0.00 -0.13 0.00 0.00 55.73 54.50 1i16 s ARG 115 Cb -0.12 -3.12 0.13 0.00 -1.56 0.00 0.00 34.95 30.28 1i16 s ARG 115 CO 0.03 -0.60 0.91 0.54 -0.81 0.00 0.00 175.30 175.38 1i16 n ARG 116 N 4.59 0.12 -3.54 5.12 1.74 0.78 -3.86 116.66 121.61 1i16 n ARG 116 Ca -0.13 -2.76 -0.28 0.00 -0.77 0.00 0.00 57.85 53.91 1i16 n ARG 116 Cb 0.43 -0.52 -0.11 0.00 -1.02 0.00 0.00 32.46 31.24 1i16 n ARG 116 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 1i16 s LYS 117 N -4.89 1.14 -0.21 5.56 1.02 -1.26 0.92 119.74 122.03 1i16 s LYS 117 Ca 0.63 -2.13 -0.28 0.00 0.02 0.00 0.00 55.97 54.21 1i16 s LYS 117 Cb -0.04 -1.87 0.13 0.00 -0.52 0.00 0.00 37.83 35.53 1i16 s LYS 117 CO 0.41 -1.30 1.03 -1.54 -0.92 0.00 0.00 175.35 173.04 1i16 s SER 118 N 0.08 -0.37 -1.32 2.83 1.04 -1.26 -4.98 113.70 109.71 1i16 s SER 118 Ca 0.26 0.53 -0.14 0.00 0.48 0.00 0.00 55.95 57.08 1i16 s SER 118 Cb -0.08 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.48 1i16 s SER 118 CO -0.12 -0.26 2.30 0.18 0.98 0.00 0.00 173.24 176.32 1i16 n LEU 119 N 1.23 6.54 -1.32 2.42 4.32 -1.26 -4.49 117.00 124.44 1i16 n LEU 119 Ca -0.11 -3.84 0.07 0.00 -0.02 0.00 0.00 56.01 52.11 1i16 n LEU 119 Cb 0.57 -1.49 0.31 0.00 -1.62 0.00 0.00 43.42 41.20 1i16 n LEU 119 CO 0.11 0.97 0.79 1.67 -1.22 0.00 0.00 177.39 179.71 1i16 n GLN 120 N 5.65 3.65 -1.49 3.23 7.27 -1.26 -5.02 117.38 129.41 1i16 n GLN 120 Ca 0.56 -2.99 -0.46 0.00 0.07 0.00 0.00 57.00 54.18 1i16 n GLN 120 Cb 0.34 -2.02 -0.02 0.00 2.41 0.00 0.00 30.24 30.95 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 -0.11 -0.06 0.00 1.69 3.41 -1.26 -4.93 113.62 112.36 1i16 n SER 121 Ca 0.25 1.15 0.00 0.00 -0.26 0.00 0.00 58.87 60.01 1i16 n SER 121 Cb 1.04 -1.11 0.00 0.00 -0.26 0.00 0.00 64.21 63.88 1i16 n SER 121 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 175.04 176.05 1i16 n LYS 122 N 0.86 0.00 -1.04 4.33 4.81 -1.26 -5.04 118.16 120.82 1i16 n LYS 122 Ca 0.14 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.53 1i16 n LYS 122 Cb 0.29 0.00 -0.05 0.00 0.02 0.00 0.00 35.03 35.29 1i16 n LYS 122 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1i16 n GLU 123 N 0.00 0.00 -2.97 1.64 0.28 -1.26 -4.99 120.64 113.34 1i16 n GLU 123 Ca 0.00 -1.10 -0.15 0.00 -0.16 0.00 0.00 57.16 55.75 1i16 n GLU 123 Cb 0.00 0.35 0.00 0.00 1.43 0.00 0.00 31.44 33.22 1i16 n GLU 123 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 1i16 n THR 124 N 0.09 -0.28 -4.09 3.84 -2.24 -1.26 -5.12 114.28 105.22 1i16 n THR 124 Ca -0.19 -2.83 -0.14 0.00 -2.27 0.00 0.00 64.05 58.62 1i16 n THR 124 Cb 0.77 -0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.88 1i16 n THR 124 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1i16 s THR 125 N -0.46 0.63 0.02 4.28 -4.23 -1.26 -5.02 115.64 109.60 1i16 s THR 125 Ca 0.33 -1.08 0.30 0.00 -1.18 0.00 0.00 61.69 60.06 1i16 s THR 125 Cb 0.23 -0.67 0.35 0.00 1.34 0.00 0.00 72.50 73.75 1i16 s THR 125 CO -0.15 -0.33 1.89 0.00 -0.54 0.00 0.00 174.62 175.49 1i16 h ALA 126 N 4.53 1.00 -6.13 3.99 0.00 -2.00 -3.47 119.26 117.18 1i16 h ALA 126 Ca -0.36 -0.04 -0.28 0.00 0.00 0.00 0.00 54.91 54.22 1i16 h ALA 126 Cb 1.20 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.99 1i16 h ALA 126 CO 0.41 0.06 -0.62 0.00 0.00 0.00 0.00 179.25 179.10 1i16 n ALA 127 N -2.12 -2.66 0.00 0.00 0.00 -1.26 -4.88 120.51 109.59 1i16 n ALA 127 Ca 0.01 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.29 1i16 n ALA 127 Cb 0.37 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.53 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 -1.71 4.08 1.03 0.00 0.00 -1.26 -5.06 105.19 102.28 1i16 n GLY 128 Ca -0.17 -1.33 -0.04 0.00 0.00 0.00 0.00 46.02 44.48 1i16 n GLY 128 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1i16 n ASP 129 N 0.00 -0.57 0.00 1.61 5.68 -1.26 -5.22 116.55 116.79 1i16 n ASP 129 Ca 0.00 -1.92 0.00 0.00 -0.50 0.00 0.00 54.79 52.37 1i16 n ASP 129 Cb 0.00 0.17 0.00 0.00 -1.14 0.00 0.00 41.12 40.15 1i16 n ASP 129 CO 0.00 0.00 0.00 -0.24 -1.33 0.00 0.00 177.20 175.63