#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k70 n SER 2 N 0.00 0.00 -4.71 1.61 3.41 -1.26 -5.19 113.62 107.48 2k70 n SER 2 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2k70 n SER 2 Cb 0.00 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 63.89 2k70 n SER 2 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2k70 s PHE 3 N -1.32 2.89 0.00 7.33 0.08 -1.26 -5.00 117.98 120.70 2k70 s PHE 3 Ca 0.00 -0.15 0.00 0.00 0.12 0.00 0.00 56.93 56.90 2k70 s PHE 3 Cb 0.00 -1.33 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 2k70 s PHE 3 CO 0.00 0.56 0.50 -2.37 -0.10 0.00 0.00 175.22 173.80 2k70 n THR 4 N -0.70 0.00 -3.88 0.64 5.66 -1.26 -5.13 114.28 109.61 2k70 n THR 4 Ca -0.08 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.83 2k70 n THR 4 Cb 0.57 0.18 -0.06 0.00 -1.55 0.00 0.00 70.33 69.47 2k70 n THR 4 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 2k70 s GLU 5 N 0.00 1.22 0.05 1.09 2.12 -1.26 -4.69 118.70 117.23 2k70 s GLU 5 Ca 0.00 -1.06 0.00 0.00 0.36 0.00 0.00 54.97 54.27 2k70 s GLU 5 Cb 0.00 0.43 0.00 0.00 0.26 0.00 0.00 34.13 34.82 2k70 s GLU 5 CO 0.00 -0.47 0.01 0.41 -0.54 0.00 0.00 175.26 174.66 2k70 n GLY 6 N -0.25 3.99 3.24 -1.50 0.00 -1.26 -4.63 105.19 104.78 2k70 n GLY 6 Ca -0.09 -2.22 -0.13 0.00 0.00 0.00 0.00 46.02 43.58 2k70 n GLY 6 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k70 s TRP 7 N -1.06 1.20 -0.13 1.61 -2.14 -1.26 -3.90 118.94 113.26 2k70 s TRP 7 Ca 0.00 -0.95 -0.07 0.00 2.66 0.00 0.00 56.10 57.75 2k70 s TRP 7 Cb -0.00 -0.67 -0.04 0.00 -3.10 0.00 0.00 33.47 29.66 2k70 s TRP 7 CO 0.00 -0.13 0.13 0.08 -2.66 0.00 0.00 176.95 174.37 2k70 s VAL 8 N -3.57 5.42 -0.18 -0.66 1.01 0.05 -1.29 120.40 121.17 2k70 s VAL 8 Ca 0.21 0.18 -0.30 0.00 0.00 0.00 0.00 61.98 62.07 2k70 s VAL 8 Cb 0.05 -3.37 -0.07 0.00 0.00 0.00 0.00 36.38 32.99 2k70 s VAL 8 CO 0.02 0.60 2.14 -1.14 0.00 0.00 0.00 175.10 176.73 2k70 n ARG 9 N 2.14 1.99 -1.69 2.72 0.00 0.42 -0.96 116.66 121.28 2k70 n ARG 9 Ca -0.20 0.61 -0.44 0.00 -0.00 0.00 0.00 57.85 57.82 2k70 n ARG 9 Cb 0.55 -3.02 -0.03 0.00 0.00 0.00 0.00 32.46 29.96 2k70 n ARG 9 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2k70 n PHE 10 N 10.22 2.41 -3.64 -0.14 7.35 0.41 -4.57 117.46 129.50 2k70 n PHE 10 Ca 0.29 0.28 -0.02 0.00 -0.76 0.00 0.00 57.45 57.25 2k70 n PHE 10 Cb 0.39 -2.55 -0.03 0.00 0.35 0.00 0.00 39.48 37.64 2k70 n PHE 10 CO 0.00 0.00 0.00 -1.12 -0.76 0.00 0.00 176.76 174.88 2k70 s SER 11 N 0.68 -0.03 -0.28 -2.13 0.01 0.13 -4.72 113.70 107.36 2k70 s SER 11 Ca 0.72 0.02 -0.01 0.00 1.31 0.00 0.00 55.95 57.99 2k70 s SER 11 Cb -0.61 0.03 0.17 0.00 0.21 0.00 0.00 66.02 65.82 2k70 s SER 11 CO 0.42 -0.04 2.08 -0.81 0.41 0.00 0.00 173.24 175.31 2k70 n PRO 12 N 0.27 1.74 -4.32 12.44 -0.04 -1.26 -2.30 135.00 141.53 2k70 n PRO 12 Ca 0.02 -1.41 -0.25 0.00 -0.04 0.00 0.00 63.50 61.82 2k70 n PRO 12 Cb 0.58 -1.57 -0.09 0.00 -0.04 0.00 0.00 33.50 32.38 2k70 n PRO 12 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2k70 s GLY 13 N 0.44 1.72 0.46 0.55 0.00 -1.26 -5.05 107.32 104.18 2k70 s GLY 13 Ca 0.29 -1.61 0.30 0.00 0.00 0.00 0.00 44.72 43.70 2k70 s GLY 13 CO -0.02 -1.65 1.87 -0.56 0.00 0.00 0.00 173.10 172.74 2k70 h PRO 14 N 2.43 0.00 -6.16 2.90 0.13 -1.97 -3.44 132.00 125.89 2k70 h PRO 14 Ca -0.45 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.17 2k70 h PRO 14 Cb 1.23 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 32.31 2k70 h PRO 14 CO 0.57 0.00 -0.48 0.54 -0.23 0.00 0.00 178.00 178.40 2k70 s ASN 15 N -5.36 5.07 0.07 1.44 2.20 -1.26 -1.83 114.94 115.26 2k70 s ASN 15 Ca 0.03 -0.59 -0.02 0.00 -0.94 0.00 0.00 52.86 51.34 2k70 s ASN 15 Cb 0.09 -0.90 0.01 0.00 -2.00 0.00 0.00 41.25 38.45 2k70 s ASN 15 CO 0.53 -0.32 0.13 0.00 -2.94 0.00 0.00 177.10 174.49 2k70 n ALA 16 N -1.28 -0.25 -3.58 3.54 0.00 0.18 -4.91 120.51 114.20 2k70 n ALA 16 Ca -0.03 -0.24 -0.11 0.00 0.00 0.00 0.00 53.44 53.07 2k70 n ALA 16 Cb 0.60 0.19 -0.09 0.00 0.00 0.00 0.00 19.45 20.15 2k70 n ALA 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2k70 s ALA 17 N -1.33 -1.39 -0.12 0.00 0.00 -1.26 -0.64 121.76 117.03 2k70 s ALA 17 Ca 0.03 1.77 -0.00 0.00 0.00 0.00 0.00 51.96 53.76 2k70 s ALA 17 Cb -0.01 -1.05 -0.02 0.00 0.00 0.00 0.00 23.12 22.04 2k70 s ALA 17 CO 0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 175.76 175.39 2k70 s ALA 18 N 1.03 2.76 -0.30 0.00 0.00 0.06 -0.43 121.76 124.89 2k70 s ALA 18 Ca -0.06 -0.88 0.08 0.00 0.00 0.00 0.00 51.96 51.10 2k70 s ALA 18 Cb -0.06 -1.26 0.48 0.00 0.00 0.00 0.00 23.12 22.28 2k70 s ALA 18 CO -0.09 0.32 1.40 0.66 0.00 0.00 0.00 175.76 178.05 2k70 n TYR 19 N 3.20 1.22 -1.08 0.00 4.01 -0.41 -1.90 117.16 122.20 2k70 n TYR 19 Ca -0.18 -1.76 -0.32 0.00 -0.16 0.00 0.00 57.90 55.48 2k70 n TYR 19 Cb 0.53 -0.47 0.12 0.00 -0.31 0.00 0.00 39.34 39.20 2k70 n TYR 19 CO 0.00 0.00 0.00 -0.48 -0.46 0.00 0.00 176.86 175.92 2k70 s LEU 20 N -3.34 3.02 -0.08 7.72 2.34 -1.26 -4.23 118.68 122.86 2k70 s LEU 20 Ca 0.45 2.06 -0.30 0.00 0.06 0.00 0.00 54.13 56.41 2k70 s LEU 20 Cb 0.41 -4.55 -0.02 0.00 -0.56 0.00 0.00 46.19 41.47 2k70 s LEU 20 CO -0.01 -2.49 1.01 -0.89 -1.06 0.00 0.00 176.35 172.91 2k70 s THR 21 N -2.64 4.77 -0.21 5.48 2.01 -1.26 -1.03 115.64 122.76 2k70 s THR 21 Ca 0.66 2.02 -0.11 0.00 0.31 0.00 0.00 61.69 64.57 2k70 s THR 21 Cb -0.21 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 67.95 2k70 s THR 21 CO 0.54 0.04 0.18 -0.22 -0.69 0.00 0.00 174.62 174.48 2k70 s LEU 22 N 1.76 4.18 0.15 4.42 2.96 -0.02 -4.93 118.68 127.21 2k70 s LEU 22 Ca 0.50 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.73 2k70 s LEU 22 Cb -0.19 -2.16 -0.04 0.00 0.50 0.00 0.00 46.19 44.29 2k70 s LEU 22 CO 0.21 0.11 -0.18 -1.83 -1.32 0.00 0.00 176.35 173.34 2k70 s GLU 23 N 0.69 1.22 -0.39 1.98 -1.05 -1.26 -0.62 118.70 119.27 2k70 s GLU 23 Ca 0.10 -1.36 0.03 0.00 -0.15 0.00 0.00 54.97 53.59 2k70 s GLU 23 Cb -0.12 -1.27 0.11 0.00 -0.44 0.00 0.00 34.13 32.41 2k70 s GLU 23 CO 0.02 0.26 0.11 1.21 0.95 0.00 0.00 175.26 177.81 2k70 s ASN 24 N -2.58 4.75 0.03 0.83 3.84 -0.08 -4.98 114.94 116.76 2k70 s ASN 24 Ca 0.14 -2.32 0.28 0.00 0.21 0.00 0.00 52.86 51.17 2k70 s ASN 24 Cb -0.06 -1.66 1.15 0.00 -0.55 0.00 0.00 41.25 40.14 2k70 s ASN 24 CO 0.06 -0.37 1.89 -0.81 -2.79 0.00 0.00 177.10 175.08 2k70 n PRO 25 N 4.05 0.04 -1.01 0.43 -0.04 -1.26 -1.10 135.00 136.11 2k70 n PRO 25 Ca 0.04 0.04 -0.09 0.00 -0.04 0.00 0.00 63.50 63.45 2k70 n PRO 25 Cb 0.40 -1.55 0.05 0.00 -0.04 0.00 0.00 33.50 32.37 2k70 n PRO 25 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 26 N 1.41 -0.15 0.36 0.55 0.00 -1.26 -4.70 105.19 101.40 2k70 n GLY 26 Ca 0.07 -1.85 0.04 0.00 0.00 0.00 0.00 46.02 44.28 2k70 n GLY 26 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2k70 n ASP 27 N -3.11 1.83 -4.41 1.61 8.00 -1.26 -2.64 116.55 116.57 2k70 n ASP 27 Ca 0.06 -1.43 -0.21 0.00 0.71 0.00 0.00 54.79 53.91 2k70 n ASP 27 Cb 0.20 -0.02 -0.10 0.00 -0.02 0.00 0.00 41.12 41.18 2k70 n ASP 27 CO 0.00 0.00 0.00 -1.48 -0.39 0.00 0.00 177.20 175.33 2k70 s LEU 28 N -0.75 2.55 0.26 0.64 0.05 -1.26 -4.82 118.68 115.35 2k70 s LEU 28 Ca 0.11 -1.09 -0.27 0.00 0.05 0.00 0.00 54.13 52.93 2k70 s LEU 28 Cb 0.07 -0.77 -0.09 0.00 -2.05 0.00 0.00 46.19 43.35 2k70 s LEU 28 CO 0.11 -0.18 0.90 -2.16 -0.55 0.00 0.00 176.35 174.47 2k70 s PRO 29 N -3.64 4.67 0.06 1.48 0.04 -1.26 -4.02 135.00 132.34 2k70 s PRO 29 Ca 0.27 1.34 0.02 0.00 0.04 0.00 0.00 61.00 62.67 2k70 s PRO 29 Cb 0.00 -3.07 -0.04 0.00 0.04 0.00 0.00 34.50 31.43 2k70 s PRO 29 CO 0.11 0.43 0.11 -0.51 0.04 0.00 0.00 177.00 177.18 2k70 s LEU 30 N -1.55 3.95 -0.26 -3.56 1.02 -0.46 -4.99 118.68 112.83 2k70 s LEU 30 Ca 0.44 0.08 -0.03 0.00 0.02 0.00 0.00 54.13 54.64 2k70 s LEU 30 Cb -0.22 -2.57 0.09 0.00 0.02 0.00 0.00 46.19 43.51 2k70 s LEU 30 CO 0.27 0.19 0.09 -0.60 0.02 0.00 0.00 176.35 176.32 2k70 s ARG 31 N -2.32 0.51 -0.36 1.70 3.52 -1.26 -0.49 118.95 120.25 2k70 s ARG 31 Ca 0.30 -0.68 -0.29 0.00 -0.13 0.00 0.00 55.73 54.92 2k70 s ARG 31 Cb -0.12 -1.77 0.02 0.00 -1.56 0.00 0.00 34.95 31.51 2k70 s ARG 31 CO 0.22 -0.88 1.12 -1.17 -0.81 0.00 0.00 175.30 173.78 2k70 s LEU 32 N 1.85 3.85 -0.01 -0.88 1.98 0.62 -0.43 118.68 125.65 2k70 s LEU 32 Ca 0.06 0.93 0.11 0.00 -2.89 0.00 0.00 54.13 52.34 2k70 s LEU 32 Cb -0.17 -3.54 -0.17 0.00 0.66 0.00 0.00 46.19 42.97 2k70 s LEU 32 CO -0.23 -1.00 0.25 1.33 -1.89 0.00 0.00 176.35 174.81 2k70 n VAL 33 N 6.16 0.00 -3.53 1.68 0.24 0.54 -0.44 118.33 122.98 2k70 n VAL 33 Ca 0.12 -0.25 -0.06 0.00 -2.04 0.00 0.00 64.34 62.12 2k70 n VAL 33 Cb 0.47 0.29 0.01 0.00 -1.47 0.00 0.00 33.84 33.15 2k70 n VAL 33 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k70 n GLY 34 N 1.85 1.57 3.30 7.63 0.00 -1.13 -4.71 105.19 113.70 2k70 n GLY 34 Ca -0.02 -1.21 -0.21 0.00 0.00 0.00 0.00 46.02 44.58 2k70 n GLY 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2k70 n ALA 35 N -1.58 0.70 -2.33 4.61 0.00 -1.26 -1.15 120.51 119.50 2k70 n ALA 35 Ca -0.10 -2.01 -0.20 0.00 0.00 0.00 0.00 53.44 51.13 2k70 n ALA 35 Cb 0.35 1.57 -0.08 0.00 0.00 0.00 0.00 19.45 21.28 2k70 n ALA 35 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2k70 s ARG 36 N -3.43 1.71 -0.25 0.00 0.52 -0.13 -4.82 118.95 112.55 2k70 s ARG 36 Ca 0.36 -2.00 -0.29 0.00 -0.52 0.00 0.00 55.73 53.29 2k70 s ARG 36 Cb 0.02 0.07 0.17 0.00 0.52 0.00 0.00 34.95 35.73 2k70 s ARG 36 CO 0.26 -0.56 1.25 -0.08 0.02 0.00 0.00 175.30 176.19 2k70 s THR 37 N -3.49 0.00 -1.05 0.02 -1.32 -1.26 -0.81 115.64 107.72 2k70 s THR 37 Ca 0.36 0.00 0.23 0.00 -1.21 0.00 0.00 61.69 61.07 2k70 s THR 37 Cb 0.03 -1.00 0.21 0.00 -1.51 0.00 0.00 72.50 70.24 2k70 s THR 37 CO 0.22 0.00 1.72 -0.81 -2.21 0.00 0.00 174.62 173.54 2k70 n PRO 38 N 0.72 0.04 -2.38 7.08 -0.04 -1.26 -3.74 135.00 135.42 2k70 n PRO 38 Ca -0.04 0.11 -0.32 0.00 -0.04 0.00 0.00 63.50 63.21 2k70 n PRO 38 Cb 0.58 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.55 2k70 n PRO 38 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 2k70 n VAL 39 N -1.47 3.05 -3.44 0.52 0.24 -1.26 -4.45 118.33 111.52 2k70 n VAL 39 Ca 0.06 -4.90 -0.13 0.00 -2.04 0.00 0.00 64.34 57.33 2k70 n VAL 39 Cb 0.25 -1.29 -0.03 0.00 -1.47 0.00 0.00 33.84 31.30 2k70 n VAL 39 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k70 s ALA 40 N -3.74 -1.63 -0.20 2.33 0.00 -1.25 -4.04 121.76 113.23 2k70 s ALA 40 Ca 0.49 0.64 0.11 0.00 0.00 0.00 0.00 51.96 53.20 2k70 s ALA 40 Cb 0.38 0.73 -0.22 0.00 0.00 0.00 0.00 23.12 24.01 2k70 s ALA 40 CO -0.25 -0.70 0.04 -1.91 0.00 0.00 0.00 175.76 172.95 2k70 n GLU 41 N -0.14 0.68 -4.59 0.00 4.07 0.14 -4.77 120.64 116.02 2k70 n GLU 41 Ca -0.17 0.09 -0.25 0.00 -0.06 0.00 0.00 57.16 56.77 2k70 n GLU 41 Cb 0.64 -1.56 -0.17 0.00 -0.06 0.00 0.00 31.44 30.29 2k70 n GLU 41 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 2k70 s ARG 42 N -2.51 1.71 -0.07 5.31 0.52 -0.52 -5.02 118.95 118.36 2k70 s ARG 42 Ca -0.18 -0.42 0.02 0.00 -0.52 0.00 0.00 55.73 54.63 2k70 s ARG 42 Cb 0.07 -1.41 0.01 0.00 0.52 0.00 0.00 34.95 34.15 2k70 s ARG 42 CO 0.75 0.03 -0.12 0.54 0.02 0.00 0.00 175.30 176.52 2k70 s VAL 43 N 0.65 1.16 -0.06 3.52 0.11 -1.26 -0.70 120.40 123.82 2k70 s VAL 43 Ca -0.14 -0.48 -0.05 0.00 -2.93 0.00 0.00 61.98 58.37 2k70 s VAL 43 Cb -0.16 -1.07 0.02 0.00 -1.53 0.00 0.00 36.38 33.64 2k70 s VAL 43 CO 0.04 0.36 0.16 -1.61 -3.33 0.00 0.00 175.10 170.72 2k70 s GLU 44 N 0.76 0.17 -0.19 1.54 2.02 -0.53 -4.67 118.70 117.80 2k70 s GLU 44 Ca -0.13 0.27 -0.18 0.00 0.02 0.00 0.00 54.97 54.95 2k70 s GLU 44 Cb -0.16 0.03 -0.03 0.00 0.10 0.00 0.00 34.13 34.07 2k70 s GLU 44 CO 0.03 -0.06 0.51 -1.17 0.02 0.00 0.00 175.26 174.58 2k70 s LEU 45 N 0.36 4.17 0.26 1.80 2.96 -1.26 -0.23 118.68 126.73 2k70 s LEU 45 Ca -0.02 0.69 0.10 0.00 -0.22 0.00 0.00 54.13 54.68 2k70 s LEU 45 Cb -0.04 -2.70 -0.05 0.00 0.50 0.00 0.00 46.19 43.91 2k70 s LEU 45 CO -0.01 -0.15 -0.17 -1.00 -1.32 0.00 0.00 176.35 173.70 2k70 s HIS 46 N 1.46 2.08 0.09 5.38 3.76 -0.19 -0.73 115.29 127.15 2k70 s HIS 46 Ca 0.24 -0.43 0.10 0.00 -0.15 0.00 0.00 55.06 54.82 2k70 s HIS 46 Cb -0.15 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.56 2k70 s HIS 46 CO 0.10 0.58 -0.26 -1.83 -0.85 0.00 0.00 174.74 172.47 2k70 s GLU 47 N -3.57 1.55 -0.08 1.40 -1.05 -0.13 -1.40 118.70 115.42 2k70 s GLU 47 Ca 0.27 -1.24 -0.01 0.00 -0.15 0.00 0.00 54.97 53.84 2k70 s GLU 47 Cb -0.03 -1.90 -0.03 0.00 -0.44 0.00 0.00 34.13 31.72 2k70 s GLU 47 CO 0.12 0.47 -0.03 0.99 0.95 0.00 0.00 175.26 177.76 2k70 s THR 48 N -0.96 4.03 0.31 1.83 2.01 -0.28 -1.37 115.64 121.21 2k70 s THR 48 Ca 0.13 -0.35 0.03 0.00 0.31 0.00 0.00 61.69 61.81 2k70 s THR 48 Cb -0.10 -2.68 -0.06 0.00 0.01 0.00 0.00 72.50 69.67 2k70 s THR 48 CO 0.04 0.59 0.08 0.72 -0.69 0.00 0.00 174.62 175.36 2k70 s PHE 49 N -0.75 1.82 -0.08 4.92 -0.12 0.48 -4.49 117.98 119.76 2k70 s PHE 49 Ca 0.11 -1.06 -0.03 0.00 -0.05 0.00 0.00 56.93 55.90 2k70 s PHE 49 Cb -0.11 -1.16 -0.04 0.00 -0.63 0.00 0.00 43.02 41.08 2k70 s PHE 49 CO 0.02 -0.13 0.08 -1.64 -0.05 0.00 0.00 175.22 173.50 2k70 s MET 50 N -3.92 3.20 -0.00 1.99 -1.94 -1.26 -2.11 119.30 115.25 2k70 s MET 50 Ca 0.36 -0.32 -0.02 0.00 -1.71 0.00 0.00 55.69 54.00 2k70 s MET 50 Cb 0.08 -2.97 -0.00 0.00 2.01 0.00 0.00 34.83 33.94 2k70 s MET 50 CO 0.15 0.72 0.04 1.03 -0.01 0.00 0.00 175.02 176.94 2k70 s ARG 51 N -1.19 0.21 0.11 2.03 1.81 -0.31 -4.96 118.95 116.65 2k70 s ARG 51 Ca 0.17 -0.24 -0.30 0.00 -1.72 0.00 0.00 55.73 53.64 2k70 s ARG 51 Cb -0.12 0.08 -0.06 0.00 -0.45 0.00 0.00 34.95 34.41 2k70 s ARG 51 CO 0.07 -0.04 0.96 -2.00 -0.68 0.00 0.00 175.30 173.61 2k70 s GLU 52 N -0.71 4.69 -0.09 3.54 2.56 -1.26 -0.56 118.70 126.87 2k70 s GLU 52 Ca -0.08 1.46 -0.07 0.00 0.00 0.00 0.00 54.97 56.28 2k70 s GLU 52 Cb -0.05 -3.38 0.03 0.00 2.00 0.00 0.00 34.13 32.73 2k70 s GLU 52 CO -0.00 0.20 0.23 0.08 -0.56 0.00 0.00 175.26 175.22 2k70 s VAL 53 N 0.02 -0.01 -0.59 3.70 1.01 -0.00 -4.90 120.40 119.63 2k70 s VAL 53 Ca 0.47 0.05 0.00 0.00 0.00 0.00 0.00 61.98 62.50 2k70 s VAL 53 Cb -0.23 -0.34 0.00 0.00 0.00 0.00 0.00 36.38 35.80 2k70 s VAL 53 CO 0.30 0.02 0.00 -0.62 0.00 0.00 0.00 175.10 174.80 2k70 n GLU 54 N 3.36 -1.23 -1.85 2.72 1.02 -1.26 -1.32 120.64 122.08 2k70 n GLU 54 Ca -0.17 0.60 -0.06 0.00 -0.02 0.00 0.00 57.16 57.51 2k70 n GLU 54 Cb 0.57 -4.66 -0.01 0.00 -0.02 0.00 0.00 31.44 27.32 2k70 n GLU 54 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k70 n GLY 55 N -0.63 0.33 3.11 0.62 0.00 -1.26 -5.05 105.19 102.30 2k70 n GLY 55 Ca -0.06 -0.67 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 2k70 n GLY 55 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 56 N -3.80 0.90 -0.24 1.61 1.02 -0.44 -5.13 119.74 113.66 2k70 s LYS 56 Ca 0.00 -0.61 -0.28 0.00 0.02 0.00 0.00 55.97 55.10 2k70 s LYS 56 Cb 0.00 -0.88 0.01 0.00 -0.52 0.00 0.00 37.83 36.44 2k70 s LYS 56 CO 0.00 0.23 0.99 0.15 -0.92 0.00 0.00 175.35 175.79 2k70 s LYS 57 N -0.81 4.22 0.21 1.68 -0.14 -1.26 -0.82 119.74 122.81 2k70 s LYS 57 Ca 0.02 1.22 -0.01 0.00 -1.36 0.00 0.00 55.97 55.84 2k70 s LYS 57 Cb -0.07 -3.65 -0.04 0.00 -1.68 0.00 0.00 37.83 32.39 2k70 s LYS 57 CO 0.01 -0.63 0.12 0.14 -0.76 0.00 0.00 175.35 174.23 2k70 s VAL 58 N 3.15 0.07 -0.01 3.17 -7.23 0.27 -4.99 120.40 114.83 2k70 s VAL 58 Ca 0.42 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.61 2k70 s VAL 58 Cb -0.15 -2.51 -0.00 0.00 0.56 0.00 0.00 36.38 34.28 2k70 s VAL 58 CO 0.07 -0.01 -0.07 -0.04 -0.31 0.00 0.00 175.10 174.74 2k70 s MET 59 N -4.14 0.67 0.29 4.82 -1.94 -1.26 -1.17 119.30 116.57 2k70 s MET 59 Ca 0.39 -0.24 0.03 0.00 -1.71 0.00 0.00 55.69 54.16 2k70 s MET 59 Cb 0.07 -0.65 -0.04 0.00 2.01 0.00 0.00 34.83 36.22 2k70 s MET 59 CO 0.12 0.11 0.18 0.20 -0.01 0.00 0.00 175.02 175.63 2k70 s GLY 60 N 0.05 2.02 0.00 -0.03 0.00 -0.90 -4.98 107.32 103.48 2k70 s GLY 60 Ca -0.00 -1.81 0.02 0.00 0.00 0.00 0.00 44.72 42.93 2k70 s GLY 60 CO -0.00 -1.53 -0.08 -3.16 0.00 0.00 0.00 173.10 168.33 2k70 s MET 61 N -3.79 0.61 0.20 2.90 0.23 -1.26 -0.39 119.30 117.80 2k70 s MET 61 Ca 0.37 -0.36 0.10 0.00 -1.03 0.00 0.00 55.69 54.78 2k70 s MET 61 Cb 0.05 -0.57 -0.04 0.00 -1.53 0.00 0.00 34.83 32.73 2k70 s MET 61 CO 0.19 0.15 -0.21 -0.98 -2.03 0.00 0.00 175.02 172.14 2k70 s ARG 62 N -0.41 1.45 0.68 3.16 1.70 -0.47 -4.98 118.95 120.08 2k70 s ARG 62 Ca 0.01 -1.54 -0.12 0.00 -0.47 0.00 0.00 55.73 53.62 2k70 s ARG 62 Cb -0.04 -1.60 0.00 0.00 -0.57 0.00 0.00 34.95 32.75 2k70 s ARG 62 CO -0.00 0.33 1.06 -1.25 -1.08 0.00 0.00 175.30 174.36 2k70 s PRO 63 N -2.94 2.93 0.09 3.89 0.04 -1.26 -0.96 135.00 136.79 2k70 s PRO 63 Ca 0.21 1.03 0.03 0.00 0.04 0.00 0.00 61.00 62.30 2k70 s PRO 63 Cb -0.06 -1.99 -0.04 0.00 0.04 0.00 0.00 34.50 32.46 2k70 s PRO 63 CO 0.09 -1.11 -0.08 0.14 0.04 0.00 0.00 177.00 176.09 2k70 s VAL 64 N -2.92 0.77 -0.19 -0.36 -7.23 0.10 -4.78 120.40 105.78 2k70 s VAL 64 Ca 0.59 -1.65 0.17 0.00 -1.81 0.00 0.00 61.98 59.28 2k70 s VAL 64 Cb -0.15 -1.35 0.12 0.00 0.56 0.00 0.00 36.38 35.56 2k70 s VAL 64 CO 0.52 -0.65 1.49 1.55 -0.31 0.00 0.00 175.10 177.70 2k70 h PRO 65 N 3.50 0.00 -1.33 4.82 0.13 -1.95 -3.42 132.00 133.75 2k70 h PRO 65 Ca -0.36 0.00 0.32 0.00 -0.87 0.00 0.00 66.00 65.08 2k70 h PRO 65 Cb 1.18 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.15 2k70 h PRO 65 CO 0.55 0.40 0.87 -0.59 -0.23 0.00 0.00 178.00 179.01 2k70 s PHE 66 N -3.04 -0.06 0.26 1.56 -0.12 -1.26 -4.74 117.98 110.59 2k70 s PHE 66 Ca 0.04 0.00 0.08 0.00 -0.05 0.00 0.00 56.93 57.01 2k70 s PHE 66 Cb 0.07 0.52 -0.04 0.00 -0.63 0.00 0.00 43.02 42.95 2k70 s PHE 66 CO 0.73 -0.18 0.09 -0.51 -0.05 0.00 0.00 175.22 175.31 2k70 s LEU 67 N -2.59 3.49 0.04 -1.99 1.43 0.42 -5.00 118.68 114.48 2k70 s LEU 67 Ca 0.12 -0.46 0.03 0.00 -1.03 0.00 0.00 54.13 52.79 2k70 s LEU 67 Cb 0.03 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 2k70 s LEU 67 CO -0.04 -0.02 -0.09 -0.70 0.23 0.00 0.00 176.35 175.73 2k70 s GLU 68 N -3.76 0.58 -0.05 1.70 2.12 -1.26 -0.28 118.70 117.75 2k70 s GLU 68 Ca 0.32 -0.71 -0.02 0.00 0.36 0.00 0.00 54.97 54.92 2k70 s GLU 68 Cb -0.07 -0.43 0.04 0.00 0.26 0.00 0.00 34.13 33.93 2k70 s GLU 68 CO 0.22 0.09 0.11 0.08 -0.54 0.00 0.00 175.26 175.22 2k70 s VAL 69 N -1.17 -0.08 0.80 3.70 1.01 0.35 -4.98 120.40 120.03 2k70 s VAL 69 Ca -0.07 0.22 -0.11 0.00 0.00 0.00 0.00 61.98 62.03 2k70 s VAL 69 Cb -0.09 -0.20 0.07 0.00 0.00 0.00 0.00 36.38 36.16 2k70 s VAL 69 CO 0.01 0.09 1.09 -2.16 0.00 0.00 0.00 175.10 174.12 2k70 s PRO 70 N 1.32 2.08 0.40 2.72 0.04 -1.26 -1.35 135.00 138.95 2k70 s PRO 70 Ca -0.07 0.90 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 2k70 s PRO 70 Cb -0.12 -1.90 -0.10 0.00 0.04 0.00 0.00 34.50 32.42 2k70 s PRO 70 CO -0.05 -1.69 1.39 -0.35 0.04 0.00 0.00 177.00 176.35 2k70 n PRO 71 N -3.52 2.31 -0.58 0.56 -0.04 -1.26 -2.39 135.00 130.09 2k70 n PRO 71 Ca 0.08 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.35 2k70 n PRO 71 Cb 0.54 -2.54 0.00 0.00 -0.04 0.00 0.00 33.50 31.46 2k70 n PRO 71 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2k70 n LYS 72 N 0.20 0.00 -2.00 0.54 4.76 -0.26 -4.99 118.16 116.41 2k70 n LYS 72 Ca 0.04 0.00 -0.31 0.00 -2.87 0.00 0.00 58.31 55.17 2k70 n LYS 72 Cb 0.39 -3.31 -0.00 0.00 -1.84 0.00 0.00 35.03 30.27 2k70 n LYS 72 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2k70 s GLY 73 N -2.00 1.78 0.03 0.72 0.00 -1.01 -4.84 107.32 102.00 2k70 s GLY 73 Ca 0.00 0.01 0.06 0.00 0.00 0.00 0.00 44.72 44.79 2k70 s GLY 73 CO 0.00 0.28 -0.19 0.50 0.00 0.00 0.00 173.10 173.69 2k70 s ARG 74 N -4.84 1.33 -0.06 2.90 0.52 -1.26 -0.90 118.95 116.64 2k70 s ARG 74 Ca 0.56 -0.83 -0.03 0.00 -0.52 0.00 0.00 55.73 54.92 2k70 s ARG 74 Cb -0.11 -1.39 0.03 0.00 0.52 0.00 0.00 34.95 34.01 2k70 s ARG 74 CO 0.47 0.36 0.15 0.08 0.02 0.00 0.00 175.30 176.38 2k70 s VAL 75 N -0.70 -0.04 -0.11 3.52 1.01 0.20 -5.01 120.40 119.27 2k70 s VAL 75 Ca 0.06 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.22 2k70 s VAL 75 Cb -0.08 -0.24 0.00 0.00 0.00 0.00 0.00 36.38 36.07 2k70 s VAL 75 CO 0.01 0.06 -0.23 -1.61 0.00 0.00 0.00 175.10 173.33 2k70 s GLU 76 N 0.97 3.01 -1.16 2.72 2.02 -1.26 -0.84 118.70 124.16 2k70 s GLU 76 Ca -0.07 -0.86 -0.08 0.00 0.02 0.00 0.00 54.97 53.97 2k70 s GLU 76 Cb -0.10 -2.32 -0.11 0.00 0.10 0.00 0.00 34.13 31.70 2k70 s GLU 76 CO -0.05 0.12 2.84 1.28 0.02 0.00 0.00 175.26 179.47 2k70 n LEU 77 N 3.70 7.15 -4.75 1.80 4.32 -0.20 -4.79 117.00 124.24 2k70 n LEU 77 Ca -0.19 -3.76 -0.36 0.00 -0.02 0.00 0.00 56.01 51.68 2k70 n LEU 77 Cb 0.53 -1.40 0.05 0.00 -1.62 0.00 0.00 43.42 40.97 2k70 n LEU 77 CO 0.28 1.64 0.86 -1.59 -1.22 0.00 0.00 177.39 177.36 2k70 s LYS 78 N 2.26 2.81 0.67 3.23 -2.85 -1.14 -4.09 119.74 120.62 2k70 s LYS 78 Ca 0.61 1.90 -0.17 0.00 -1.00 0.00 0.00 55.97 57.31 2k70 s LYS 78 Cb 0.18 -1.90 -0.01 0.00 -2.06 0.00 0.00 37.83 34.05 2k70 s LYS 78 CO -0.04 -1.36 1.14 -0.35 0.10 0.00 0.00 175.35 174.84 2k70 n PRO 79 N -1.74 0.85 -0.05 1.78 -0.04 -1.26 -1.97 135.00 132.58 2k70 n PRO 79 Ca 0.14 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.95 2k70 n PRO 79 Cb 0.49 -2.37 0.00 0.00 -0.04 0.00 0.00 33.50 31.58 2k70 n PRO 79 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2k70 n GLY 80 N 1.02 2.65 0.00 0.55 0.00 -1.26 -4.91 105.19 103.25 2k70 n GLY 80 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2k70 n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 81 N -2.00 4.26 3.76 -0.02 0.00 -0.83 -4.55 105.19 105.82 2k70 n GLY 81 Ca 0.00 -0.54 -0.40 0.00 0.00 0.00 0.00 46.02 45.09 2k70 n GLY 81 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2k70 s TYR 82 N 3.96 3.35 0.01 1.61 2.02 -1.24 -1.13 117.35 125.93 2k70 s TYR 82 Ca 0.00 1.61 -0.28 0.00 -0.37 0.00 0.00 57.07 58.03 2k70 s TYR 82 Cb 0.00 -3.39 0.09 0.00 -0.40 0.00 0.00 41.96 38.27 2k70 s TYR 82 CO 0.00 -0.99 0.80 -3.38 -1.57 0.00 0.00 175.55 170.41 2k70 s HIS 83 N -1.23 -0.45 0.30 2.71 -3.43 -0.49 -2.88 115.29 109.81 2k70 s HIS 83 Ca 0.48 0.46 -0.23 0.00 -0.80 0.00 0.00 55.06 54.98 2k70 s HIS 83 Cb -0.33 0.51 -0.09 0.00 -1.43 0.00 0.00 32.58 31.24 2k70 s HIS 83 CO 0.43 -0.60 0.85 -0.06 -2.00 0.00 0.00 174.74 173.36 2k70 s PHE 84 N -2.64 3.62 -0.13 0.38 0.08 -0.80 -1.02 117.98 117.48 2k70 s PHE 84 Ca 0.00 1.59 -0.13 0.00 0.12 0.00 0.00 56.93 58.52 2k70 s PHE 84 Cb -0.01 -2.78 -0.05 0.00 -0.57 0.00 0.00 43.02 39.61 2k70 s PHE 84 CO -0.05 0.22 0.28 1.41 -0.10 0.00 0.00 175.22 176.98 2k70 s MET 85 N -2.18 4.08 -0.07 0.44 1.75 0.68 -0.76 119.30 123.25 2k70 s MET 85 Ca 0.49 0.09 0.00 0.00 -1.25 0.00 0.00 55.69 55.02 2k70 s MET 85 Cb -0.17 -3.36 -0.03 0.00 2.84 0.00 0.00 34.83 34.11 2k70 s MET 85 CO 0.21 0.39 -0.05 -0.51 -0.65 0.00 0.00 175.02 174.41 2k70 s LEU 86 N 0.02 3.29 -0.01 4.11 1.02 0.19 -1.45 118.68 125.84 2k70 s LEU 86 Ca 0.17 0.03 -0.02 0.00 0.02 0.00 0.00 54.13 54.32 2k70 s LEU 86 Cb -0.13 -1.73 0.00 0.00 0.02 0.00 0.00 46.19 44.35 2k70 s LEU 86 CO 0.05 0.37 0.05 -0.76 0.02 0.00 0.00 176.35 176.08 2k70 s LEU 87 N -0.83 1.83 -0.87 1.79 1.43 0.12 -0.65 118.68 121.50 2k70 s LEU 87 Ca 0.13 -0.03 -0.03 0.00 -1.03 0.00 0.00 54.13 53.17 2k70 s LEU 87 Cb -0.11 0.24 0.00 0.00 0.03 0.00 0.00 46.19 46.36 2k70 s LEU 87 CO 0.02 -0.11 0.46 0.61 0.23 0.00 0.00 176.35 177.56 2k70 n GLY 88 N 2.61 0.02 3.60 -3.19 0.00 -0.76 -0.69 105.19 106.78 2k70 n GLY 88 Ca -0.15 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.25 2k70 n GLY 88 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k70 n LEU 89 N -2.66 2.75 -0.15 0.99 -0.00 -1.23 -2.19 117.00 114.52 2k70 n LEU 89 Ca -0.04 0.96 0.12 0.00 -0.00 0.00 0.00 56.01 57.04 2k70 n LEU 89 Cb 0.56 -1.35 0.19 0.00 -0.00 0.00 0.00 43.42 42.82 2k70 n LEU 89 CO 0.31 -1.67 0.41 0.29 -0.00 0.00 0.00 177.39 176.72 2k70 n LYS 90 N -0.14 0.44 -3.88 1.47 4.76 -1.26 -4.81 118.16 114.75 2k70 n LYS 90 Ca 0.10 -0.30 -0.11 0.00 -2.87 0.00 0.00 58.31 55.14 2k70 n LYS 90 Cb 0.42 -1.49 -0.12 0.00 -1.84 0.00 0.00 35.03 32.00 2k70 n LYS 90 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2k70 s ARG 91 N -2.77 0.26 0.61 1.97 0.52 -1.26 -5.01 118.95 113.27 2k70 s ARG 91 Ca 0.16 -0.18 -0.18 0.00 -0.52 0.00 0.00 55.73 55.01 2k70 s ARG 91 Cb 0.18 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.73 2k70 s ARG 91 CO 0.65 -0.05 1.18 -1.25 0.02 0.00 0.00 175.30 175.85 2k70 s PRO 92 N -0.69 2.91 -0.26 3.54 0.04 -1.26 -5.02 135.00 134.25 2k70 s PRO 92 Ca -0.08 1.72 0.00 0.00 0.04 0.00 0.00 61.00 62.69 2k70 s PRO 92 Cb -0.05 -1.93 0.04 0.00 0.04 0.00 0.00 34.50 32.60 2k70 s PRO 92 CO 0.00 -1.23 -0.08 -0.51 0.04 0.00 0.00 177.00 175.22 2k70 s LEU 93 N -4.27 3.35 0.71 -3.56 1.02 -0.97 -5.04 118.68 109.92 2k70 s LEU 93 Ca 0.75 -1.15 -0.06 0.00 0.02 0.00 0.00 54.13 53.68 2k70 s LEU 93 Cb -0.28 -1.61 0.07 0.00 0.02 0.00 0.00 46.19 44.39 2k70 s LEU 93 CO 0.35 -0.17 1.01 -0.54 0.02 0.00 0.00 176.35 177.02 2k70 s LYS 94 N 1.22 2.09 0.33 1.70 -0.14 -1.26 -0.70 119.74 122.97 2k70 s LYS 94 Ca -0.04 -0.36 -0.29 0.00 -1.36 0.00 0.00 55.97 53.91 2k70 s LYS 94 Cb -0.18 -2.18 -0.11 0.00 -1.68 0.00 0.00 37.83 33.67 2k70 s LYS 94 CO -0.05 -1.29 1.54 0.00 -0.76 0.00 0.00 175.35 174.79 2k70 s ALA 95 N -3.24 3.66 -0.54 5.17 0.00 -1.26 -3.81 121.76 121.73 2k70 s ALA 95 Ca 0.61 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.13 2k70 s ALA 95 Cb -0.10 -3.63 0.00 0.00 0.00 0.00 0.00 23.12 19.40 2k70 s ALA 95 CO 0.45 -1.00 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2k70 n GLY 96 N 1.41 0.60 0.10 0.00 0.00 -0.69 -5.00 105.19 101.60 2k70 n GLY 96 Ca 0.05 -0.77 -0.01 0.00 0.00 0.00 0.00 46.02 45.30 2k70 n GLY 96 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k70 n GLU 97 N -2.44 0.65 -3.69 1.61 1.02 -1.19 -4.89 120.64 111.71 2k70 n GLU 97 Ca -0.06 -0.07 -0.13 0.00 -0.02 0.00 0.00 57.16 56.89 2k70 n GLU 97 Cb 0.29 -0.02 -0.09 0.00 -0.02 0.00 0.00 31.44 31.61 2k70 n GLU 97 CO 0.00 0.00 0.00 -1.83 1.18 0.00 0.00 177.13 176.48 2k70 s GLU 98 N -2.40 0.60 -0.13 3.49 -1.05 -1.26 -0.02 118.70 117.93 2k70 s GLU 98 Ca 0.02 0.77 -0.10 0.00 -0.15 0.00 0.00 54.97 55.51 2k70 s GLU 98 Cb -0.00 0.26 0.04 0.00 -0.44 0.00 0.00 34.13 33.98 2k70 s GLU 98 CO 0.01 -0.09 0.33 0.08 0.95 0.00 0.00 175.26 176.54 2k70 s VAL 99 N 0.48 -0.01 0.41 1.83 1.01 0.03 -4.88 120.40 119.28 2k70 s VAL 99 Ca -0.02 0.05 -0.23 0.00 0.00 0.00 0.00 61.98 61.78 2k70 s VAL 99 Cb -0.04 -0.47 -0.10 0.00 0.00 0.00 0.00 36.38 35.77 2k70 s VAL 99 CO -0.02 0.02 1.00 -1.61 0.00 0.00 0.00 175.10 174.49 2k70 s GLU 100 N 0.63 4.17 0.09 2.72 2.02 -1.26 -1.35 118.70 125.72 2k70 s GLU 100 Ca -0.04 1.34 0.07 0.00 0.02 0.00 0.00 54.97 56.36 2k70 s GLU 100 Cb -0.05 -2.38 -0.03 0.00 0.10 0.00 0.00 34.13 31.77 2k70 s GLU 100 CO -0.04 -0.11 -0.18 -0.51 0.02 0.00 0.00 175.26 174.44 2k70 s LEU 101 N -2.89 2.29 0.10 1.80 1.02 -0.89 -4.14 118.68 115.97 2k70 s LEU 101 Ca 0.60 -0.66 0.04 0.00 0.02 0.00 0.00 54.13 54.13 2k70 s LEU 101 Cb -0.16 -0.74 -0.04 0.00 0.02 0.00 0.00 46.19 45.27 2k70 s LEU 101 CO 0.21 0.01 0.04 -1.81 0.02 0.00 0.00 176.35 174.82 2k70 s ASP 102 N -1.83 5.24 -0.12 2.29 1.01 0.01 0.07 116.67 123.33 2k70 s ASP 102 Ca 0.03 -0.12 -0.02 0.00 0.71 0.00 0.00 52.55 53.15 2k70 s ASP 102 Cb -0.10 -1.32 -0.03 0.00 1.01 0.00 0.00 42.92 42.49 2k70 s ASP 102 CO 0.03 0.16 -0.05 -0.76 0.21 0.00 0.00 175.17 174.76 2k70 s LEU 103 N -2.42 3.20 -0.36 1.23 1.02 0.49 -0.96 118.68 120.87 2k70 s LEU 103 Ca 0.28 -0.10 -0.11 0.00 0.02 0.00 0.00 54.13 54.21 2k70 s LEU 103 Cb -0.12 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.37 2k70 s LEU 103 CO 0.20 0.24 0.20 -0.76 0.02 0.00 0.00 176.35 176.25 2k70 s LEU 104 N -0.06 4.57 -0.35 1.79 1.43 -0.30 -1.97 118.68 123.80 2k70 s LEU 104 Ca 0.01 -0.80 -0.09 0.00 -1.03 0.00 0.00 54.13 52.22 2k70 s LEU 104 Cb -0.13 -2.04 0.02 0.00 0.03 0.00 0.00 46.19 44.07 2k70 s LEU 104 CO 0.03 -0.32 0.16 -0.36 0.23 0.00 0.00 176.35 176.08 2k70 s PHE 105 N 1.60 3.22 -1.07 0.29 0.08 0.18 -0.34 117.98 121.94 2k70 s PHE 105 Ca 0.03 -1.02 -0.04 0.00 0.12 0.00 0.00 56.93 56.02 2k70 s PHE 105 Cb -0.18 -2.36 0.03 0.00 -0.57 0.00 0.00 43.02 39.93 2k70 s PHE 105 CO 0.07 -0.63 0.23 0.00 -0.10 0.00 0.00 175.22 174.79 2k70 n ALA 106 N 4.93 -0.93 -0.03 5.36 0.00 0.42 -2.35 120.51 127.93 2k70 n ALA 106 Ca -0.13 0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.40 2k70 n ALA 106 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 19.45 17.89 2k70 n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2k70 n GLY 107 N -0.95 1.64 0.00 0.00 0.00 -1.26 -4.65 105.19 99.97 2k70 n GLY 107 Ca -0.07 0.01 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2k70 n GLY 107 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k70 n GLY 108 N 0.00 -0.82 3.02 -0.02 0.00 -1.21 -4.61 105.19 101.54 2k70 n GLY 108 Ca 0.00 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.79 2k70 n GLY 108 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k70 s LYS 109 N -2.00 1.19 0.04 1.61 1.02 -0.99 -5.05 119.74 115.57 2k70 s LYS 109 Ca 0.02 -0.35 0.07 0.00 0.02 0.00 0.00 55.97 55.73 2k70 s LYS 109 Cb 0.01 -1.07 -0.02 0.00 -0.52 0.00 0.00 37.83 36.22 2k70 s LYS 109 CO 0.02 0.10 -0.20 0.54 -0.92 0.00 0.00 175.35 174.89 2k70 s VAL 110 N 0.31 1.61 -0.03 3.17 0.11 -1.26 -0.64 120.40 123.66 2k70 s VAL 110 Ca -0.06 -1.19 -0.01 0.00 -2.93 0.00 0.00 61.98 57.80 2k70 s VAL 110 Cb -0.11 -1.40 0.03 0.00 -1.53 0.00 0.00 36.38 33.37 2k70 s VAL 110 CO 0.01 0.18 0.04 -0.22 -3.33 0.00 0.00 175.10 171.78 2k70 s LEU 111 N -1.19 0.75 0.19 2.54 2.96 -0.83 -4.99 118.68 118.10 2k70 s LEU 111 Ca 0.07 0.05 -0.24 0.00 -0.22 0.00 0.00 54.13 53.79 2k70 s LEU 111 Cb -0.09 -0.10 -0.08 0.00 0.50 0.00 0.00 46.19 46.42 2k70 s LEU 111 CO 0.02 -0.17 0.77 -0.75 -1.32 0.00 0.00 176.35 174.90 2k70 s LYS 112 N 1.46 4.49 0.42 1.98 2.20 -1.26 -0.38 119.74 128.65 2k70 s LYS 112 Ca -0.04 1.09 0.04 0.00 -0.36 0.00 0.00 55.97 56.71 2k70 s LYS 112 Cb -0.13 -3.14 -0.02 0.00 -1.51 0.00 0.00 37.83 33.04 2k70 s LYS 112 CO -0.03 0.51 0.16 1.33 -0.36 0.00 0.00 175.35 176.96 2k70 n VAL 113 N 1.31 0.00 -4.07 4.02 0.24 0.11 -4.96 118.33 114.98 2k70 n VAL 113 Ca -0.04 -2.48 -0.09 0.00 -2.04 0.00 0.00 64.34 59.68 2k70 n VAL 113 Cb 0.49 0.91 -0.11 0.00 -1.47 0.00 0.00 33.84 33.67 2k70 n VAL 113 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 2k70 s VAL 114 N -3.16 0.36 0.02 3.34 1.01 -1.26 -2.10 120.40 118.60 2k70 s VAL 114 Ca 0.23 -1.46 -0.22 0.00 0.00 0.00 0.00 61.98 60.53 2k70 s VAL 114 Cb 0.01 -1.05 0.05 0.00 0.00 0.00 0.00 36.38 35.39 2k70 s VAL 114 CO 0.16 -0.72 0.49 -1.48 0.00 0.00 0.00 175.10 173.55 2k70 s LEU 115 N -2.30 0.07 1.08 3.92 2.34 -0.45 -4.89 118.68 118.44 2k70 s LEU 115 Ca -0.01 0.21 -0.12 0.00 0.06 0.00 0.00 54.13 54.27 2k70 s LEU 115 Cb -0.01 1.99 0.24 0.00 -0.56 0.00 0.00 46.19 47.84 2k70 s LEU 115 CO -0.04 -0.65 1.06 -2.16 -1.06 0.00 0.00 176.35 173.49 2k70 s PRO 116 N -2.09 -0.26 -0.15 1.48 0.04 -1.25 -0.79 135.00 131.98 2k70 s PRO 116 Ca -0.07 0.82 -0.02 0.00 0.04 0.00 0.00 61.00 61.77 2k70 s PRO 116 Cb -0.01 -1.63 -0.02 0.00 0.04 0.00 0.00 34.50 32.88 2k70 s PRO 116 CO 0.01 -3.28 -0.09 0.08 0.04 0.00 0.00 177.00 173.76 2k70 s VAL 117 N -2.64 3.33 0.36 -0.36 1.01 0.97 -0.77 120.40 122.30 2k70 s VAL 117 Ca 0.67 -0.55 -0.10 0.00 0.00 0.00 0.00 61.98 62.00 2k70 s VAL 117 Cb -0.23 -2.43 0.03 0.00 0.00 0.00 0.00 36.38 33.75 2k70 s VAL 117 CO 0.62 0.50 0.64 -1.61 0.00 0.00 0.00 175.10 175.25 2k70 s GLU 118 N 0.49 2.08 0.78 2.72 0.41 -0.14 -1.71 118.70 123.34 2k70 s GLU 118 Ca -0.07 -1.58 -0.11 0.00 -0.41 0.00 0.00 54.97 52.80 2k70 s GLU 118 Cb -0.15 0.54 0.06 0.00 -1.78 0.00 0.00 34.13 32.80 2k70 s GLU 118 CO 0.04 -0.93 1.08 0.00 -0.49 0.00 0.00 175.26 174.96 2k70 s ALA 119 N -2.68 2.23 -2.00 5.21 0.00 -1.26 -0.44 121.76 122.81 2k70 s ALA 119 Ca 0.22 0.03 0.23 0.00 0.00 0.00 0.00 51.96 52.44 2k70 s ALA 119 Cb -0.03 -3.19 1.36 0.00 0.00 0.00 0.00 23.12 21.27 2k70 s ALA 119 CO 0.16 -1.73 1.73 -2.13 0.00 0.00 0.00 175.76 173.79