#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 -2.56 0.00 1.61 3.41 -1.26 -4.98 113.62 109.84 2k70 n SER 2 Ca 0.00 -0.22 0.00 0.00 -0.26 0.00 0.00 58.87 58.39 2k70 n SER 2 Cb 0.00 -0.92 0.00 0.00 -0.26 0.00 0.00 64.21 63.03 2k70 n SER 2 CO 0.00 0.00 0.00 2.22 -0.16 0.00 0.00 175.04 177.10 2k70 n PHE 3 N -4.52 -0.64 -2.15 7.33 1.16 -1.26 -4.98 117.46 112.40 2k70 n PHE 3 Ca 0.02 0.00 -0.42 0.00 -1.87 0.00 0.00 57.45 55.18 2k70 n PHE 3 Cb 0.58 0.13 -0.03 0.00 -1.61 0.00 0.00 39.48 38.55 2k70 n PHE 3 CO 0.00 0.00 0.00 0.95 -1.87 0.00 0.00 176.76 175.84 2k70 s THR 4 N -1.37 3.72 0.25 1.97 -4.23 -1.26 -5.02 115.64 109.70 2k70 s THR 4 Ca 0.00 0.98 -0.19 0.00 -1.18 0.00 0.00 61.69 61.30 2k70 s THR 4 Cb 0.00 -3.63 0.02 0.00 1.34 0.00 0.00 72.50 70.23 2k70 s THR 4 CO 0.00 -0.05 0.63 -0.70 -0.54 0.00 0.00 174.62 173.96 2k70 s GLU 5 N 3.28 1.65 0.59 3.99 2.56 -1.26 -5.06 118.70 124.45 2k70 s GLU 5 Ca 0.67 -1.01 0.02 0.00 0.00 0.00 0.00 54.97 54.65 2k70 s GLU 5 Cb -0.31 0.56 0.06 0.00 2.00 0.00 0.00 34.13 36.45 2k70 s GLU 5 CO 0.26 -0.73 0.82 0.20 -0.56 0.00 0.00 175.26 175.24 2k70 s GLY 6 N -2.93 1.81 0.16 -1.50 0.00 -1.26 -4.69 107.32 98.91 2k70 s GLY 6 Ca 0.13 -1.58 -0.19 0.00 0.00 0.00 0.00 44.72 43.08 2k70 s GLY 6 CO 0.05 -1.20 0.51 0.86 0.00 0.00 0.00 173.10 173.32 2k70 s TRP 7 N -2.82 -0.33 -0.05 1.90 -0.11 -0.18 -4.27 118.94 113.09 2k70 s TRP 7 Ca 0.60 0.05 0.02 0.00 1.22 0.00 0.00 56.10 58.00 2k70 s TRP 7 Cb -0.08 0.42 0.01 0.00 -1.50 0.00 0.00 33.47 32.32 2k70 s TRP 7 CO 0.40 -0.82 -0.10 0.08 -4.62 0.00 0.00 176.95 171.89 2k70 s VAL 8 N -3.80 0.96 -0.39 5.86 1.01 0.70 -0.72 120.40 124.02 2k70 s VAL 8 Ca 0.03 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2k70 s VAL 8 Cb -0.00 -0.87 0.01 0.00 0.00 0.00 0.00 36.38 35.52 2k70 s VAL 8 CO -0.10 0.30 0.64 -0.60 0.00 0.00 0.00 175.10 175.34 2k70 s ARG 9 N 0.47 3.53 0.55 2.72 3.00 -1.19 -2.45 118.95 125.59 2k70 s ARG 9 Ca -0.09 -0.10 -0.21 0.00 -1.00 0.00 0.00 55.73 54.33 2k70 s ARG 9 Cb -0.13 -3.86 -0.05 0.00 0.00 0.00 0.00 34.95 30.91 2k70 s ARG 9 CO 0.02 -0.84 1.21 0.34 0.00 0.00 0.00 175.30 176.03 2k70 n PHE 10 N 6.13 1.76 -3.53 5.12 -0.00 0.14 -4.57 117.46 122.52 2k70 n PHE 10 Ca -0.01 0.45 -0.15 0.00 -0.00 0.00 0.00 57.45 57.73 2k70 n PHE 10 Cb 0.48 -2.28 -0.05 0.00 -0.00 0.00 0.00 39.48 37.63 2k70 n PHE 10 CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 2k70 s SER 11 N -1.02 -0.57 -0.15 -2.13 0.15 -1.26 -4.77 113.70 103.96 2k70 s SER 11 Ca 0.73 0.57 -0.03 0.00 0.70 0.00 0.00 55.95 57.92 2k70 s SER 11 Cb -0.43 0.47 -0.06 0.00 -1.71 0.00 0.00 66.02 64.30 2k70 s SER 11 CO 0.49 -0.55 2.80 -0.81 1.20 0.00 0.00 173.24 176.36 2k70 n PRO 12 N 0.76 1.81 -4.50 5.44 -0.04 -1.26 -4.82 135.00 132.39 2k70 n PRO 12 Ca -0.16 -1.14 -0.24 0.00 -0.04 0.00 0.00 63.50 61.92 2k70 n PRO 12 Cb 0.58 -1.73 -0.11 0.00 -0.04 0.00 0.00 33.50 32.20 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 1.36 2.14 0.50 0.55 0.00 -1.26 -5.07 107.32 105.54 2k70 s GLY 13 Ca 0.43 -2.09 0.29 0.00 0.00 0.00 0.00 44.72 43.36 2k70 s GLY 13 CO -0.05 -1.93 1.87 -0.56 0.00 0.00 0.00 173.10 172.43 2k70 h PRO 14 N 2.06 0.00 -4.27 2.90 0.13 -1.97 -3.46 132.00 127.38 2k70 h PRO 14 Ca -0.42 0.00 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2k70 h PRO 14 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 2k70 h PRO 14 CO 0.72 0.05 -0.71 0.54 -0.23 0.00 0.00 178.00 178.37 2k70 s ASN 15 N -5.90 0.56 0.16 1.44 6.03 -1.26 -0.64 114.94 115.32 2k70 s ASN 15 Ca 0.02 -0.63 -0.01 0.00 -1.03 0.00 0.00 52.86 51.22 2k70 s ASN 15 Cb 0.08 0.09 0.00 0.00 -3.03 0.00 0.00 41.25 38.40 2k70 s ASN 15 CO 0.59 -0.32 0.22 0.00 -2.03 0.00 0.00 177.10 175.56 2k70 n ALA 16 N 1.21 -0.15 -3.06 3.54 0.00 0.10 -4.95 120.51 117.20 2k70 n ALA 16 Ca -0.21 -0.74 -0.19 0.00 0.00 0.00 0.00 53.44 52.30 2k70 n ALA 16 Cb 0.56 0.60 -0.15 0.00 0.00 0.00 0.00 19.45 20.46 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 -2.13 0.67 -0.16 0.00 0.00 -1.26 -0.60 121.76 118.28 2k70 s ALA 17 Ca 0.13 -0.23 0.01 0.00 0.00 0.00 0.00 51.96 51.87 2k70 s ALA 17 Cb -0.00 -0.26 0.01 0.00 0.00 0.00 0.00 23.12 22.86 2k70 s ALA 17 CO 0.10 0.10 -0.18 0.00 0.00 0.00 0.00 175.76 175.77 2k70 s ALA 18 N 0.23 2.38 -0.92 0.00 0.00 0.68 -3.16 121.76 120.96 2k70 s ALA 18 Ca -0.03 -1.10 -0.00 0.00 0.00 0.00 0.00 51.96 50.83 2k70 s ALA 18 Cb -0.07 -1.15 0.31 0.00 0.00 0.00 0.00 23.12 22.20 2k70 s ALA 18 CO 0.00 -0.11 1.40 0.66 0.00 0.00 0.00 175.76 177.71 2k70 n TYR 19 N 4.20 2.88 -2.45 0.00 4.01 0.10 -1.68 117.16 124.22 2k70 n TYR 19 Ca -0.20 -3.02 -0.35 0.00 -0.16 0.00 0.00 57.90 54.17 2k70 n TYR 19 Cb 0.51 -1.02 -0.03 0.00 -0.31 0.00 0.00 39.34 38.50 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 3.91 0.17 7.72 0.05 -1.18 -1.01 118.68 125.01 2k70 s LEU 20 Ca 0.37 2.05 -0.26 0.00 0.05 0.00 0.00 54.13 56.34 2k70 s LEU 20 Cb 0.14 -4.45 -0.08 0.00 -2.05 0.00 0.00 46.19 39.76 2k70 s LEU 20 CO -0.02 -0.83 0.81 0.28 -0.55 0.00 0.00 176.35 176.05 2k70 s THR 21 N -1.81 4.33 -0.11 5.48 -1.32 -1.26 -0.35 115.64 120.58 2k70 s THR 21 Ca 0.66 1.79 0.01 0.00 -1.21 0.00 0.00 61.69 62.93 2k70 s THR 21 Cb -0.21 -4.18 -0.01 0.00 -1.51 0.00 0.00 72.50 66.59 2k70 s THR 21 CO 0.25 0.51 -0.15 -0.22 -2.21 0.00 0.00 174.62 172.80 2k70 s LEU 22 N -1.08 2.64 -0.09 9.08 1.98 -1.23 -4.90 118.68 125.09 2k70 s LEU 22 Ca 0.37 -0.34 0.04 0.00 -2.89 0.00 0.00 54.13 51.32 2k70 s LEU 22 Cb -0.24 -1.58 -0.00 0.00 0.66 0.00 0.00 46.19 45.03 2k70 s LEU 22 CO 0.27 0.19 -0.24 -1.61 -1.89 0.00 0.00 176.35 173.08 2k70 s GLU 23 N 0.19 2.84 -0.46 1.98 2.02 -1.26 -1.28 118.70 122.74 2k70 s GLU 23 Ca -0.09 -0.86 -0.09 0.00 0.02 0.00 0.00 54.97 53.96 2k70 s GLU 23 Cb -0.15 -2.21 0.12 0.00 0.10 0.00 0.00 34.13 31.98 2k70 s GLU 23 CO 0.05 0.22 0.33 1.21 0.02 0.00 0.00 175.26 177.09 2k70 s ASN 24 N 0.24 5.66 0.00 -0.19 3.84 -0.33 -4.95 114.94 119.20 2k70 s ASN 24 Ca -0.15 -1.90 0.28 0.00 0.21 0.00 0.00 52.86 51.30 2k70 s ASN 24 Cb -0.17 -1.99 1.22 0.00 -0.55 0.00 0.00 41.25 39.76 2k70 s ASN 24 CO 0.07 -0.67 1.90 -0.81 -2.79 0.00 0.00 177.10 174.80 2k70 n PRO 25 N 4.88 0.07 -2.10 0.43 -0.04 -1.26 -1.34 135.00 135.64 2k70 n PRO 25 Ca -0.08 0.02 -0.26 0.00 -0.04 0.00 0.00 63.50 63.15 2k70 n PRO 25 Cb 0.41 -1.50 0.17 0.00 -0.04 0.00 0.00 33.50 32.54 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 1.31 -0.69 0.42 0.55 0.00 -1.26 -4.66 105.19 100.87 2k70 n GLY 26 Ca 0.08 -1.83 0.08 0.00 0.00 0.00 0.00 46.02 44.35 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 -3.49 1.77 -4.48 1.61 8.00 -1.26 -1.89 116.55 116.82 2k70 n ASP 27 Ca 0.16 -1.39 -0.24 0.00 0.71 0.00 0.00 54.79 54.03 2k70 n ASP 27 Cb 0.57 0.35 -0.10 0.00 -0.02 0.00 0.00 41.12 41.92 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 -1.83 2.63 0.37 0.64 0.05 -1.26 -4.81 118.68 114.47 2k70 s LEU 28 Ca 0.14 -0.97 -0.24 0.00 0.05 0.00 0.00 54.13 53.11 2k70 s LEU 28 Cb 0.13 -1.18 -0.10 0.00 -2.05 0.00 0.00 46.19 42.99 2k70 s LEU 28 CO 0.34 0.05 0.97 -2.16 -0.55 0.00 0.00 176.35 175.00 2k70 s PRO 29 N -3.41 4.39 0.13 1.48 0.04 -1.26 -4.03 135.00 132.35 2k70 s PRO 29 Ca 0.29 1.33 0.04 0.00 0.04 0.00 0.00 61.00 62.69 2k70 s PRO 29 Cb -0.06 -2.59 -0.04 0.00 0.04 0.00 0.00 34.50 31.86 2k70 s PRO 29 CO 0.15 0.10 0.16 -0.51 0.04 0.00 0.00 177.00 176.94 2k70 s LEU 30 N -2.47 3.97 -0.18 -3.56 1.02 -0.35 -4.97 118.68 112.15 2k70 s LEU 30 Ca 0.55 -0.01 -0.01 0.00 0.02 0.00 0.00 54.13 54.68 2k70 s LEU 30 Cb -0.17 -2.58 0.05 0.00 0.02 0.00 0.00 46.19 43.51 2k70 s LEU 30 CO 0.22 0.10 -0.01 -0.60 0.02 0.00 0.00 176.35 176.08 2k70 s ARG 31 N -2.93 1.03 -0.38 1.70 3.52 -1.26 -0.67 118.95 119.95 2k70 s ARG 31 Ca 0.32 -0.48 -0.20 0.00 -0.13 0.00 0.00 55.73 55.24 2k70 s ARG 31 Cb -0.11 -2.03 0.01 0.00 -1.56 0.00 0.00 34.95 31.26 2k70 s ARG 31 CO 0.25 -0.54 0.60 -1.17 -0.81 0.00 0.00 175.30 173.63 2k70 s LEU 32 N 1.73 4.36 -0.01 -0.88 2.96 0.35 -1.46 118.68 125.74 2k70 s LEU 32 Ca -0.01 -0.06 0.09 0.00 -0.22 0.00 0.00 54.13 53.94 2k70 s LEU 32 Cb -0.16 -2.71 -0.12 0.00 0.50 0.00 0.00 46.19 43.69 2k70 s LEU 32 CO -0.07 -0.62 0.29 1.33 -1.32 0.00 0.00 176.35 175.95 2k70 n VAL 33 N 5.62 0.00 -3.72 1.68 0.24 0.35 -0.53 118.33 121.96 2k70 n VAL 33 Ca -0.02 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.34 61.95 2k70 n VAL 33 Cb 0.48 0.60 0.01 0.00 -1.47 0.00 0.00 33.84 33.47 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 1.63 1.39 3.56 7.63 0.00 -0.76 -4.77 105.19 113.86 2k70 n GLY 34 Ca -0.00 -1.29 -0.11 0.00 0.00 0.00 0.00 46.02 44.62 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 -1.00 -1.25 -3.40 4.61 0.00 -1.26 -1.30 120.51 116.92 2k70 n ALA 35 Ca -0.13 -1.37 -0.15 0.00 0.00 0.00 0.00 53.44 51.78 2k70 n ALA 35 Cb 0.49 1.09 -0.06 0.00 0.00 0.00 0.00 19.45 20.98 2k70 n ALA 35 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2k70 s ARG 36 N -2.33 1.02 -0.04 0.00 3.52 0.27 -4.80 118.95 116.59 2k70 s ARG 36 Ca 0.20 -0.04 -0.30 0.00 -0.13 0.00 0.00 55.73 55.46 2k70 s ARG 36 Cb -0.03 0.47 0.07 0.00 -1.56 0.00 0.00 34.95 33.90 2k70 s ARG 36 CO 0.15 -0.35 0.67 -0.08 -0.81 0.00 0.00 175.30 174.88 2k70 s THR 37 N -1.88 0.00 -2.00 4.11 -1.32 -1.26 -0.47 115.64 112.82 2k70 s THR 37 Ca -0.08 -0.01 0.19 0.00 -1.21 0.00 0.00 61.69 60.58 2k70 s THR 37 Cb -0.01 -0.99 0.54 0.00 -1.51 0.00 0.00 72.50 70.53 2k70 s THR 37 CO 0.03 -0.01 1.53 -0.81 -2.21 0.00 0.00 174.62 173.15 2k70 n PRO 38 N 0.89 0.60 -2.37 7.08 -0.04 -1.26 -2.53 135.00 137.37 2k70 n PRO 38 Ca -0.19 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 62.98 2k70 n PRO 38 Cb 0.57 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.54 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 -1.00 2.60 -3.66 0.52 0.24 -1.26 -3.68 118.33 112.09 2k70 n VAL 39 Ca 0.14 -4.81 -0.10 0.00 -2.04 0.00 0.00 64.34 57.54 2k70 n VAL 39 Cb 0.07 -1.26 -0.02 0.00 -1.47 0.00 0.00 33.84 31.15 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 -3.64 -1.28 -0.16 2.33 0.00 -1.05 -4.11 121.76 113.85 2k70 s ALA 40 Ca 0.49 0.02 0.14 0.00 0.00 0.00 0.00 51.96 52.60 2k70 s ALA 40 Cb 0.41 0.87 -0.20 0.00 0.00 0.00 0.00 23.12 24.20 2k70 s ALA 40 CO -0.23 -0.87 0.04 -1.91 0.00 0.00 0.00 175.76 172.79 2k70 n GLU 41 N -0.40 1.31 -3.76 0.00 2.13 0.63 -4.68 120.64 115.88 2k70 n GLU 41 Ca -0.11 -0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.58 2k70 n GLU 41 Cb 0.62 -1.41 -0.11 0.00 0.27 0.00 0.00 31.44 30.81 2k70 n GLU 41 CO 0.00 0.00 0.00 -0.98 -0.41 0.00 0.00 177.13 175.74 2k70 s ARG 42 N -2.39 0.40 0.37 5.31 1.70 -0.97 -5.05 118.95 118.33 2k70 s ARG 42 Ca -0.09 0.48 0.07 0.00 -0.47 0.00 0.00 55.73 55.72 2k70 s ARG 42 Cb 0.05 0.20 -0.00 0.00 -0.57 0.00 0.00 34.95 34.62 2k70 s ARG 42 CO 0.65 -0.05 0.51 0.54 -1.08 0.00 0.00 175.30 175.88 2k70 s VAL 43 N 0.18 3.60 0.00 4.99 0.11 -1.26 -1.53 120.40 126.49 2k70 s VAL 43 Ca -0.00 -1.00 -0.10 0.00 -2.93 0.00 0.00 61.98 57.95 2k70 s VAL 43 Cb -0.02 -3.23 0.01 0.00 -1.53 0.00 0.00 36.38 31.61 2k70 s VAL 43 CO 0.00 -0.09 0.21 -0.70 -3.33 0.00 0.00 175.10 171.20 2k70 s GLU 44 N -4.25 0.59 -0.22 1.54 -6.30 0.12 -4.96 118.70 105.23 2k70 s GLU 44 Ca 0.49 -0.36 0.02 0.00 -2.50 0.00 0.00 54.97 52.62 2k70 s GLU 44 Cb -0.10 0.25 0.04 0.00 0.00 0.00 0.00 34.13 34.32 2k70 s GLU 44 CO 0.32 -0.15 -0.14 -1.17 0.02 0.00 0.00 175.26 174.13 2k70 s LEU 45 N -1.48 2.73 0.21 2.70 2.96 -1.26 -0.47 118.68 124.07 2k70 s LEU 45 Ca -0.13 -1.02 0.10 0.00 -0.22 0.00 0.00 54.13 52.86 2k70 s LEU 45 Cb -0.06 -1.46 -0.05 0.00 0.50 0.00 0.00 46.19 45.12 2k70 s LEU 45 CO 0.02 -0.11 -0.19 -1.00 -1.32 0.00 0.00 176.35 173.75 2k70 s HIS 46 N 1.23 2.04 0.57 5.38 3.76 0.03 -0.52 115.29 127.78 2k70 s HIS 46 Ca -0.02 -0.42 0.05 0.00 -0.15 0.00 0.00 55.06 54.51 2k70 s HIS 46 Cb -0.17 -0.96 0.10 0.00 1.11 0.00 0.00 32.58 32.67 2k70 s HIS 46 CO -0.09 0.49 0.79 -0.85 -0.85 0.00 0.00 174.74 174.23 2k70 n GLU 47 N -0.12 0.36 -3.85 1.40 -0.00 0.28 -0.68 120.64 118.03 2k70 n GLU 47 Ca -0.10 -2.62 -0.12 0.00 -0.00 0.00 0.00 57.16 54.33 2k70 n GLU 47 Cb 0.58 -0.38 -0.10 0.00 -0.00 0.00 0.00 31.44 31.55 2k70 n GLU 47 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 2k70 s THR 48 N -2.42 0.07 0.22 3.84 2.01 -1.08 -3.65 115.64 114.62 2k70 s THR 48 Ca 0.56 -0.56 -0.13 0.00 0.31 0.00 0.00 61.69 61.87 2k70 s THR 48 Cb -0.04 -0.43 0.00 0.00 0.01 0.00 0.00 72.50 72.05 2k70 s THR 48 CO 0.36 -0.31 0.45 0.72 -0.69 0.00 0.00 174.62 175.16 2k70 s PHE 49 N -1.15 0.23 -0.10 4.92 -0.71 -0.60 -4.43 117.98 116.13 2k70 s PHE 49 Ca -0.12 -0.59 -0.06 0.00 -1.04 0.00 0.00 56.93 55.12 2k70 s PHE 49 Cb -0.06 0.20 -0.04 0.00 -1.21 0.00 0.00 43.02 41.91 2k70 s PHE 49 CO 0.02 -0.92 0.13 1.41 -1.34 0.00 0.00 175.22 174.51 2k70 s MET 50 N -3.97 3.38 0.31 1.99 -2.45 -1.26 -0.82 119.30 116.49 2k70 s MET 50 Ca 0.18 -0.18 -0.03 0.00 -1.25 0.00 0.00 55.69 54.40 2k70 s MET 50 Cb -0.00 -3.13 -0.01 0.00 1.25 0.00 0.00 34.83 32.94 2k70 s MET 50 CO 0.04 0.76 0.41 0.50 1.05 0.00 0.00 175.02 177.78 2k70 s ARG 51 N -1.11 1.74 -0.09 4.11 6.06 -0.23 -4.90 118.95 124.54 2k70 s ARG 51 Ca 0.16 -1.68 -0.06 0.00 -2.50 0.00 0.00 55.73 51.65 2k70 s ARG 51 Cb -0.12 0.41 0.04 0.00 0.06 0.00 0.00 34.95 35.34 2k70 s ARG 51 CO 0.05 -0.70 0.23 -2.00 -2.50 0.00 0.00 175.30 170.38 2k70 s GLU 52 N -3.40 0.21 -0.14 5.12 2.12 -1.26 -0.26 118.70 121.09 2k70 s GLU 52 Ca 0.31 0.44 -0.10 0.00 0.36 0.00 0.00 54.97 55.98 2k70 s GLU 52 Cb 0.01 -0.04 0.04 0.00 0.26 0.00 0.00 34.13 34.40 2k70 s GLU 52 CO 0.18 -0.12 0.35 0.14 -0.54 0.00 0.00 175.26 175.28 2k70 s VAL 53 N 0.86 -0.01 -0.51 3.70 -7.23 -0.03 -4.84 120.40 112.33 2k70 s VAL 53 Ca -0.06 0.05 0.00 0.00 -1.81 0.00 0.00 61.98 60.16 2k70 s VAL 53 Cb -0.07 -0.51 0.00 0.00 0.56 0.00 0.00 36.38 36.35 2k70 s VAL 53 CO -0.05 0.02 0.00 -0.62 -0.31 0.00 0.00 175.10 174.14 2k70 n GLU 54 N 3.45 -1.79 -0.75 4.82 1.02 -1.26 -1.29 120.64 124.85 2k70 n GLU 54 Ca -0.18 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.62 2k70 n GLU 54 Cb 0.56 -5.07 0.00 0.00 -0.02 0.00 0.00 31.44 26.92 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 0.50 0.58 2.98 0.62 0.00 -1.26 -5.08 105.19 103.54 2k70 n GLY 55 Ca -0.05 -0.77 -0.20 0.00 0.00 0.00 0.00 46.02 45.01 2k70 n GLY 55 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2k70 s LYS 56 N -1.53 0.90 0.39 1.61 -2.85 -0.41 -5.14 119.74 112.70 2k70 s LYS 56 Ca 0.00 -0.27 -0.25 0.00 -1.00 0.00 0.00 55.97 54.45 2k70 s LYS 56 Cb 0.00 -0.85 -0.09 0.00 -2.06 0.00 0.00 37.83 34.84 2k70 s LYS 56 CO 0.00 0.09 1.15 0.15 0.10 0.00 0.00 175.35 176.84 2k70 s LYS 57 N 0.25 4.11 0.30 1.78 1.02 -1.26 -0.85 119.74 125.09 2k70 s LYS 57 Ca -0.04 1.81 -0.16 0.00 0.02 0.00 0.00 55.97 57.60 2k70 s LYS 57 Cb -0.09 -2.70 0.02 0.00 -0.52 0.00 0.00 37.83 34.54 2k70 s LYS 57 CO 0.00 -0.26 0.65 0.54 -0.92 0.00 0.00 175.35 175.36 2k70 s VAL 58 N -1.42 0.00 0.16 3.17 0.11 0.64 -4.94 120.40 118.13 2k70 s VAL 58 Ca 0.56 -1.16 0.08 0.00 -2.93 0.00 0.00 61.98 58.53 2k70 s VAL 58 Cb -0.30 -2.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.22 2k70 s VAL 58 CO 0.38 0.00 -0.10 -0.04 -3.33 0.00 0.00 175.10 172.01 2k70 s MET 59 N -3.55 2.07 0.35 1.54 -1.94 -1.26 -1.07 119.30 115.45 2k70 s MET 59 Ca 0.17 -1.20 0.04 0.00 -1.71 0.00 0.00 55.69 52.98 2k70 s MET 59 Cb -0.04 -2.20 -0.04 0.00 2.01 0.00 0.00 34.83 34.57 2k70 s MET 59 CO 0.10 0.45 0.13 0.20 -0.01 0.00 0.00 175.02 175.89 2k70 s GLY 60 N -2.66 2.28 -0.06 -0.03 0.00 0.00 -4.89 107.32 101.96 2k70 s GLY 60 Ca 0.24 -1.61 -0.15 0.00 0.00 0.00 0.00 44.72 43.20 2k70 s GLY 60 CO 0.15 -1.72 0.35 -0.29 0.00 0.00 0.00 173.10 171.58 2k70 s MET 61 N -3.79 0.59 -0.04 2.90 1.75 -1.26 -1.56 119.30 117.88 2k70 s MET 61 Ca 0.31 0.10 -0.12 0.00 -1.25 0.00 0.00 55.69 54.73 2k70 s MET 61 Cb 0.05 0.27 0.02 0.00 2.84 0.00 0.00 34.83 38.01 2k70 s MET 61 CO 0.16 -0.14 0.28 1.03 -0.65 0.00 0.00 175.02 175.71 2k70 s ARG 62 N -0.72 0.55 0.52 4.11 0.52 -1.24 -5.02 118.95 117.66 2k70 s ARG 62 Ca -0.08 -0.03 -0.17 0.00 -0.52 0.00 0.00 55.73 54.93 2k70 s ARG 62 Cb -0.04 0.25 -0.07 0.00 0.52 0.00 0.00 34.95 35.60 2k70 s ARG 62 CO 0.03 -0.13 1.00 -1.25 0.02 0.00 0.00 175.30 174.97 2k70 s PRO 63 N -0.87 3.84 0.02 3.54 0.04 -1.26 -0.56 135.00 139.76 2k70 s PRO 63 Ca -0.10 1.06 -0.01 0.00 0.04 0.00 0.00 61.00 61.99 2k70 s PRO 63 Cb -0.05 -2.12 -0.02 0.00 0.04 0.00 0.00 34.50 32.36 2k70 s PRO 63 CO 0.03 -0.36 -0.00 0.14 0.04 0.00 0.00 177.00 176.84 2k70 s VAL 64 N -2.48 0.13 -0.21 -0.36 -7.23 0.33 -4.81 120.40 105.76 2k70 s VAL 64 Ca 0.61 -1.05 0.17 0.00 -1.81 0.00 0.00 61.98 59.90 2k70 s VAL 64 Cb -0.12 -0.53 0.13 0.00 0.56 0.00 0.00 36.38 36.42 2k70 s VAL 64 CO 0.29 -0.58 1.49 1.55 -0.31 0.00 0.00 175.10 177.55 2k70 h PRO 65 N 4.29 0.00 -1.17 4.82 0.13 -1.96 -3.44 132.00 134.67 2k70 h PRO 65 Ca -0.32 0.00 0.33 0.00 -0.87 0.00 0.00 66.00 65.14 2k70 h PRO 65 Cb 1.19 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.15 2k70 h PRO 65 CO 0.46 0.38 0.93 -0.59 -0.23 0.00 0.00 178.00 178.95 2k70 s PHE 66 N -3.04 -0.04 0.21 1.56 -0.12 -1.26 -4.75 117.98 110.54 2k70 s PHE 66 Ca 0.05 0.01 0.08 0.00 -0.05 0.00 0.00 56.93 57.01 2k70 s PHE 66 Cb 0.07 0.51 -0.04 0.00 -0.63 0.00 0.00 43.02 42.93 2k70 s PHE 66 CO 0.72 -0.08 0.04 -0.51 -0.05 0.00 0.00 175.22 175.34 2k70 s LEU 67 N -2.39 3.40 0.07 -1.99 1.43 0.31 -4.98 118.68 114.53 2k70 s LEU 67 Ca 0.12 -0.43 0.09 0.00 -1.03 0.00 0.00 54.13 52.89 2k70 s LEU 67 Cb 0.02 -1.99 -0.03 0.00 0.03 0.00 0.00 46.19 44.21 2k70 s LEU 67 CO -0.04 0.04 -0.23 -0.70 0.23 0.00 0.00 176.35 175.65 2k70 s GLU 68 N -3.33 1.77 -0.04 1.70 2.12 -1.26 -0.50 118.70 119.17 2k70 s GLU 68 Ca 0.30 -1.15 0.00 0.00 0.36 0.00 0.00 54.97 54.48 2k70 s GLU 68 Cb -0.08 -2.03 0.03 0.00 0.26 0.00 0.00 34.13 32.31 2k70 s GLU 68 CO 0.20 0.50 -0.01 0.08 -0.54 0.00 0.00 175.26 175.49 2k70 s VAL 69 N -0.94 0.28 0.87 3.70 1.01 0.16 -4.98 120.40 120.49 2k70 s VAL 69 Ca 0.14 0.04 -0.12 0.00 0.00 0.00 0.00 61.98 62.04 2k70 s VAL 69 Cb -0.10 -0.36 0.11 0.00 0.00 0.00 0.00 36.38 36.03 2k70 s VAL 69 CO 0.05 0.17 1.09 -2.16 0.00 0.00 0.00 175.10 174.26 2k70 s PRO 70 N 1.07 1.51 0.42 2.72 0.04 -1.26 -1.21 135.00 138.30 2k70 s PRO 70 Ca -0.09 0.76 -0.26 0.00 0.04 0.00 0.00 61.00 61.44 2k70 s PRO 70 Cb -0.14 -1.84 -0.09 0.00 0.04 0.00 0.00 34.50 32.47 2k70 s PRO 70 CO -0.01 -2.05 1.46 -1.25 0.04 0.00 0.00 177.00 175.18 2k70 s PRO 71 N -5.01 3.84 0.00 0.56 0.04 -1.26 -2.32 135.00 130.86 2k70 s PRO 71 Ca 0.63 2.50 0.00 0.00 0.04 0.00 0.00 61.00 64.16 2k70 s PRO 71 Cb -0.17 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.60 2k70 s PRO 71 CO 0.56 -0.72 0.00 1.63 0.04 0.00 0.00 177.00 178.51 2k70 n LYS 72 N 0.05 -0.09 -2.67 4.56 4.76 -0.45 -4.96 118.16 119.36 2k70 n LYS 72 Ca 0.03 0.02 -0.42 0.00 -2.87 0.00 0.00 58.31 55.07 2k70 n LYS 72 Cb 0.41 -3.93 -0.03 0.00 -1.84 0.00 0.00 35.03 29.64 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 2.49 -0.20 0.72 0.00 -0.98 -4.83 107.32 102.53 2k70 s GLY 73 Ca 0.00 0.45 -0.22 0.00 0.00 0.00 0.00 44.72 44.96 2k70 s GLY 73 CO 0.00 1.88 0.67 0.50 0.00 0.00 0.00 173.10 176.15 2k70 s ARG 74 N 1.72 4.22 -0.31 2.90 1.81 -1.26 -1.19 118.95 126.84 2k70 s ARG 74 Ca 0.50 0.69 0.01 0.00 -1.72 0.00 0.00 55.73 55.21 2k70 s ARG 74 Cb -0.20 -3.58 0.15 0.00 -0.45 0.00 0.00 34.95 30.87 2k70 s ARG 74 CO 0.21 -0.27 0.36 0.08 -0.68 0.00 0.00 175.30 175.00 2k70 s VAL 75 N 2.02 -0.50 0.32 3.52 1.01 -0.40 -5.03 120.40 121.34 2k70 s VAL 75 Ca 0.30 -0.49 -0.27 0.00 0.00 0.00 0.00 61.98 61.52 2k70 s VAL 75 Cb -0.16 -0.91 -0.09 0.00 0.00 0.00 0.00 36.38 35.22 2k70 s VAL 75 CO 0.10 -0.40 1.06 -1.61 0.00 0.00 0.00 175.10 174.25 2k70 s GLU 76 N 2.26 4.48 -0.69 2.72 8.01 -1.26 -3.46 118.70 130.76 2k70 s GLU 76 Ca 0.11 1.64 -0.26 0.00 0.01 0.00 0.00 54.97 56.47 2k70 s GLU 76 Cb -0.13 -2.94 -0.07 0.00 -4.31 0.00 0.00 34.13 26.68 2k70 s GLU 76 CO -0.26 0.12 2.15 -0.51 0.01 0.00 0.00 175.26 176.76 2k70 s LEU 77 N -1.90 3.19 0.07 1.80 1.02 0.52 -4.89 118.68 118.51 2k70 s LEU 77 Ca 0.49 0.22 0.01 0.00 0.02 0.00 0.00 54.13 54.88 2k70 s LEU 77 Cb -0.27 -2.53 -0.04 0.00 0.02 0.00 0.00 46.19 43.37 2k70 s LEU 77 CO 0.34 -2.94 0.17 -1.59 0.02 0.00 0.00 176.35 172.35 2k70 s LYS 78 N 7.77 3.24 0.43 1.70 -2.85 -0.54 -3.08 119.74 126.41 2k70 s LYS 78 Ca 0.81 -0.54 -0.26 0.00 -1.00 0.00 0.00 55.97 54.98 2k70 s LYS 78 Cb -0.12 -2.92 -0.09 0.00 -2.06 0.00 0.00 37.83 32.64 2k70 s LYS 78 CO 0.14 0.59 1.39 -1.25 0.10 0.00 0.00 175.35 176.32 2k70 s PRO 79 N -2.53 3.79 0.00 1.78 0.04 -1.26 -1.66 135.00 135.16 2k70 s PRO 79 Ca 0.33 2.34 0.00 0.00 0.04 0.00 0.00 61.00 63.71 2k70 s PRO 79 Cb -0.13 -2.70 0.00 0.00 0.04 0.00 0.00 34.50 31.71 2k70 s PRO 79 CO 0.26 -0.70 0.00 0.41 0.04 0.00 0.00 177.00 177.01 2k70 n GLY 80 N 0.60 1.38 0.00 0.56 0.00 -1.26 -4.93 105.19 101.54 2k70 n GLY 80 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 3.67 3.76 -0.02 0.00 -0.67 -4.51 105.19 105.43 2k70 n GLY 81 Ca 0.00 -0.22 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 2.27 3.45 0.06 1.61 2.02 -1.21 -2.63 117.35 122.93 2k70 s TYR 82 Ca 0.00 1.65 -0.26 0.00 -0.37 0.00 0.00 57.07 58.08 2k70 s TYR 82 Cb 0.00 -3.34 0.09 0.00 -0.40 0.00 0.00 41.96 38.30 2k70 s TYR 82 CO 0.00 -0.80 0.75 -3.38 -1.57 0.00 0.00 175.55 170.55 2k70 s HIS 83 N -1.20 -0.45 0.05 2.71 -3.43 0.15 -1.46 115.29 111.65 2k70 s HIS 83 Ca 0.47 0.34 -0.22 0.00 -0.80 0.00 0.00 55.06 54.84 2k70 s HIS 83 Cb -0.33 0.54 -0.06 0.00 -1.43 0.00 0.00 32.58 31.30 2k70 s HIS 83 CO 0.42 -0.68 0.66 -0.06 -2.00 0.00 0.00 174.74 173.08 2k70 s PHE 84 N -3.21 3.76 0.14 0.38 0.08 -0.68 -0.79 117.98 117.67 2k70 s PHE 84 Ca 0.02 1.35 -0.25 0.00 0.12 0.00 0.00 56.93 58.17 2k70 s PHE 84 Cb -0.01 -2.67 -0.07 0.00 -0.57 0.00 0.00 43.02 39.70 2k70 s PHE 84 CO -0.09 0.40 0.78 1.41 -0.10 0.00 0.00 175.22 177.62 2k70 s MET 85 N -0.49 4.56 -0.07 0.44 1.75 0.38 -0.23 119.30 125.64 2k70 s MET 85 Ca 0.33 1.15 0.04 0.00 -1.25 0.00 0.00 55.69 55.97 2k70 s MET 85 Cb -0.20 -3.29 -0.01 0.00 2.84 0.00 0.00 34.83 34.17 2k70 s MET 85 CO 0.20 0.50 -0.21 -0.51 -0.65 0.00 0.00 175.02 174.36 2k70 s LEU 86 N -0.90 2.31 -0.02 4.11 1.02 0.23 -0.70 118.68 124.74 2k70 s LEU 86 Ca 0.37 -0.42 0.02 0.00 0.02 0.00 0.00 54.13 54.12 2k70 s LEU 86 Cb -0.23 -1.45 -0.00 0.00 0.02 0.00 0.00 46.19 44.53 2k70 s LEU 86 CO 0.26 0.24 -0.09 -0.76 0.02 0.00 0.00 176.35 176.02 2k70 s LEU 87 N -0.13 1.87 -0.08 1.79 1.02 -0.58 -0.72 118.68 121.84 2k70 s LEU 87 Ca -0.03 -0.17 -0.00 0.00 0.02 0.00 0.00 54.13 53.95 2k70 s LEU 87 Cb -0.14 -0.50 0.00 0.00 0.02 0.00 0.00 46.19 45.58 2k70 s LEU 87 CO 0.04 0.08 0.07 0.61 0.02 0.00 0.00 176.35 177.17 2k70 n GLY 88 N 3.13 0.49 3.62 -3.19 0.00 0.19 -0.27 105.19 109.16 2k70 n GLY 88 Ca -0.16 -0.48 -0.39 0.00 0.00 0.00 0.00 46.02 44.99 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 -1.12 3.36 -0.48 0.99 -0.00 -1.02 -2.13 117.00 116.60 2k70 n LEU 89 Ca -0.02 0.89 0.09 0.00 -0.00 0.00 0.00 56.01 56.98 2k70 n LEU 89 Cb 0.51 -1.39 0.01 0.00 -0.00 0.00 0.00 43.42 42.56 2k70 n LEU 89 CO 0.04 -1.67 0.33 0.29 -0.00 0.00 0.00 177.39 176.38 2k70 n LYS 90 N -0.57 1.57 -3.76 1.47 4.76 -1.24 -4.84 118.16 115.55 2k70 n LYS 90 Ca 0.12 -1.02 -0.13 0.00 -2.87 0.00 0.00 58.31 54.41 2k70 n LYS 90 Cb 0.44 -1.34 -0.11 0.00 -1.84 0.00 0.00 35.03 32.18 2k70 n LYS 90 CO 0.00 0.00 0.00 -0.98 -1.37 0.00 0.00 177.40 175.05 2k70 s ARG 91 N -1.97 0.38 0.15 1.97 1.70 -1.26 -5.02 118.95 114.90 2k70 s ARG 91 Ca 0.16 0.48 -0.30 0.00 -0.47 0.00 0.00 55.73 55.60 2k70 s ARG 91 Cb 0.15 0.17 -0.07 0.00 -0.57 0.00 0.00 34.95 34.63 2k70 s ARG 91 CO 0.41 -0.05 1.07 -1.25 -1.08 0.00 0.00 175.30 174.39 2k70 s PRO 92 N 0.26 4.61 0.00 3.89 0.04 -1.26 -4.96 135.00 137.59 2k70 s PRO 92 Ca -0.01 1.64 0.00 0.00 0.04 0.00 0.00 61.00 62.68 2k70 s PRO 92 Cb -0.03 -3.31 0.00 0.00 0.04 0.00 0.00 34.50 31.20 2k70 s PRO 92 CO -0.00 0.09 0.00 1.28 0.04 0.00 0.00 177.00 178.41 2k70 n LEU 93 N 2.60 0.00 -4.35 -3.56 4.32 -1.26 -5.15 117.00 109.59 2k70 n LEU 93 Ca 0.03 0.00 -0.19 0.00 -0.02 0.00 0.00 56.01 55.83 2k70 n LEU 93 Cb 0.47 0.00 -0.10 0.00 -1.62 0.00 0.00 43.42 42.17 2k70 n LEU 93 CO 0.53 -0.40 -0.22 -0.54 -1.22 0.00 0.00 177.39 175.54 2k70 s LYS 94 N -1.42 1.56 -0.02 3.23 -0.14 -1.26 -5.08 119.74 116.61 2k70 s LYS 94 Ca 0.00 -1.88 -0.29 0.00 -1.36 0.00 0.00 55.97 52.44 2k70 s LYS 94 Cb 0.00 -0.27 -0.03 0.00 -1.68 0.00 0.00 37.83 35.85 2k70 s LYS 94 CO 0.00 -0.37 0.96 0.00 -0.76 0.00 0.00 175.35 175.18 2k70 s ALA 95 N -3.60 3.21 0.00 5.17 0.00 -1.26 -4.34 121.76 120.93 2k70 s ALA 95 Ca 0.35 0.48 0.00 0.00 0.00 0.00 0.00 51.96 52.80 2k70 s ALA 95 Cb 0.06 -3.33 0.00 0.00 0.00 0.00 0.00 23.12 19.86 2k70 s ALA 95 CO 0.16 -0.28 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2k70 n GLY 96 N 2.95 0.85 3.29 0.00 0.00 -0.47 -4.97 105.19 106.84 2k70 n GLY 96 Ca 0.06 -0.59 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 2k70 n GLY 96 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2k70 s GLU 97 N -2.06 1.58 -0.38 1.61 2.02 -1.22 -5.01 118.70 115.24 2k70 s GLU 97 Ca 0.00 -1.83 0.02 0.00 0.02 0.00 0.00 54.97 53.18 2k70 s GLU 97 Cb 0.00 0.33 0.15 0.00 0.10 0.00 0.00 34.13 34.71 2k70 s GLU 97 CO 0.00 -0.58 0.31 -1.83 0.02 0.00 0.00 175.26 173.18 2k70 s GLU 98 N -3.66 0.67 0.01 1.61 1.03 -1.26 -0.05 118.70 117.06 2k70 s GLU 98 Ca 0.38 -1.35 0.05 0.00 0.03 0.00 0.00 54.97 54.08 2k70 s GLU 98 Cb 0.03 -1.09 -0.03 0.00 -0.80 0.00 0.00 34.13 32.24 2k70 s GLU 98 CO 0.21 -1.25 -0.12 0.08 -1.33 0.00 0.00 175.26 172.85 2k70 s VAL 99 N 0.94 3.27 0.27 1.83 1.01 0.57 -4.66 120.40 123.64 2k70 s VAL 99 Ca 0.22 -0.93 -0.29 0.00 0.00 0.00 0.00 61.98 60.98 2k70 s VAL 99 Cb -0.14 -2.40 -0.09 0.00 0.00 0.00 0.00 36.38 33.75 2k70 s VAL 99 CO -0.05 0.38 0.97 -1.61 0.00 0.00 0.00 175.10 174.80 2k70 s GLU 100 N -1.38 4.73 0.03 2.72 2.02 -1.26 -1.23 118.70 124.33 2k70 s GLU 100 Ca 0.16 1.49 0.07 0.00 0.02 0.00 0.00 54.97 56.71 2k70 s GLU 100 Cb -0.11 -3.12 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 2k70 s GLU 100 CO 0.06 0.39 -0.20 -0.51 0.02 0.00 0.00 175.26 175.02 2k70 s LEU 101 N -1.50 2.13 -0.18 1.80 2.01 -0.53 -4.30 118.68 118.11 2k70 s LEU 101 Ca 0.44 -0.47 -0.02 0.00 0.01 0.00 0.00 54.13 54.10 2k70 s LEU 101 Cb -0.25 -0.96 -0.00 0.00 0.01 0.00 0.00 46.19 44.99 2k70 s LEU 101 CO 0.31 0.17 -0.11 -1.81 1.01 0.00 0.00 176.35 175.93 2k70 s ASP 102 N -0.96 3.93 -0.21 2.29 1.01 0.38 -0.25 116.67 122.86 2k70 s ASP 102 Ca 0.07 -0.43 -0.12 0.00 0.71 0.00 0.00 52.55 52.78 2k70 s ASP 102 Cb -0.08 -1.64 -0.05 0.00 1.01 0.00 0.00 42.92 42.16 2k70 s ASP 102 CO 0.01 0.04 0.20 -0.76 0.21 0.00 0.00 175.17 174.87 2k70 s LEU 103 N 1.09 4.17 -0.34 1.23 1.02 0.40 -0.56 118.68 125.69 2k70 s LEU 103 Ca 0.00 0.26 -0.10 0.00 0.02 0.00 0.00 54.13 54.31 2k70 s LEU 103 Cb -0.15 -2.19 0.01 0.00 0.02 0.00 0.00 46.19 43.88 2k70 s LEU 103 CO -0.03 0.08 0.17 -0.76 0.02 0.00 0.00 176.35 175.84 2k70 s LEU 104 N 0.80 4.40 0.15 1.79 1.43 -0.42 -2.10 118.68 124.73 2k70 s LEU 104 Ca 0.10 -0.80 0.03 0.00 -1.03 0.00 0.00 54.13 52.43 2k70 s LEU 104 Cb -0.13 -2.00 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2k70 s LEU 104 CO 0.03 -0.29 0.26 -0.36 0.23 0.00 0.00 176.35 176.21 2k70 s PHE 105 N 1.56 3.43 0.34 0.29 0.08 -0.33 -0.49 117.98 122.85 2k70 s PHE 105 Ca 0.03 0.09 -0.27 0.00 0.12 0.00 0.00 56.93 56.91 2k70 s PHE 105 Cb -0.18 -1.64 -0.13 0.00 -0.57 0.00 0.00 43.02 40.50 2k70 s PHE 105 CO 0.06 0.52 1.02 0.00 -0.10 0.00 0.00 175.22 176.72 2k70 n ALA 106 N -0.50 0.01 -0.46 5.36 0.00 -0.53 -2.21 120.51 122.17 2k70 n ALA 106 Ca -0.07 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.70 2k70 n ALA 106 Cb 0.54 -2.05 0.00 0.00 0.00 0.00 0.00 19.45 17.94 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 1.18 0.86 1.04 0.00 0.00 -1.26 -4.39 105.19 102.62 2k70 n GLY 107 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 -2.00 0.72 3.73 -0.02 0.00 -0.94 -5.05 105.19 101.63 2k70 n GLY 108 Ca 0.00 -0.18 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 2k70 n GLY 108 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2k70 s LYS 109 N -0.65 4.63 -0.04 1.61 2.20 -1.16 -4.91 119.74 121.41 2k70 s LYS 109 Ca 0.00 1.59 0.03 0.00 -0.36 0.00 0.00 55.97 57.24 2k70 s LYS 109 Cb 0.00 -3.33 -0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2k70 s LYS 109 CO 0.00 0.12 -0.12 0.54 -0.36 0.00 0.00 175.35 175.52 2k70 s VAL 110 N -0.03 3.23 -0.10 4.02 0.11 -1.26 -1.19 120.40 125.18 2k70 s VAL 110 Ca 0.49 -0.70 -0.04 0.00 -2.93 0.00 0.00 61.98 58.79 2k70 s VAL 110 Cb -0.26 -2.29 0.05 0.00 -1.53 0.00 0.00 36.38 32.34 2k70 s VAL 110 CO 0.32 0.56 0.22 -0.22 -3.33 0.00 0.00 175.10 172.65 2k70 s LEU 111 N -0.84 0.26 0.12 2.54 2.96 -0.89 -4.94 118.68 117.89 2k70 s LEU 111 Ca 0.12 0.47 -0.23 0.00 -0.22 0.00 0.00 54.13 54.27 2k70 s LEU 111 Cb -0.11 0.60 -0.07 0.00 0.50 0.00 0.00 46.19 47.11 2k70 s LEU 111 CO 0.01 -0.19 0.71 -0.75 -1.32 0.00 0.00 176.35 174.82 2k70 s LYS 112 N 1.62 4.45 0.23 1.98 2.20 -1.26 -0.45 119.74 128.50 2k70 s LYS 112 Ca -0.06 1.02 0.07 0.00 -0.36 0.00 0.00 55.97 56.64 2k70 s LYS 112 Cb -0.11 -3.27 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2k70 s LYS 112 CO -0.08 0.56 -0.10 0.14 -0.36 0.00 0.00 175.35 175.51 2k70 s VAL 113 N -1.02 1.61 -0.05 4.02 -7.23 0.65 -4.99 120.40 113.39 2k70 s VAL 113 Ca 0.34 -2.16 0.06 0.00 -1.81 0.00 0.00 61.98 58.40 2k70 s VAL 113 Cb -0.22 -2.18 -0.01 0.00 0.56 0.00 0.00 36.38 34.53 2k70 s VAL 113 CO 0.24 -0.49 -0.23 -0.69 -0.31 0.00 0.00 175.10 173.61 2k70 s VAL 114 N -3.05 1.90 -0.04 1.32 1.01 -1.26 -1.46 120.40 118.82 2k70 s VAL 114 Ca 0.25 -0.98 0.02 0.00 0.00 0.00 0.00 61.98 61.27 2k70 s VAL 114 Cb 0.01 -1.61 0.01 0.00 0.00 0.00 0.00 36.38 34.80 2k70 s VAL 114 CO 0.08 0.53 -0.09 -0.76 0.00 0.00 0.00 175.10 174.86 2k70 s LEU 115 N -0.14 1.63 0.40 3.92 1.43 -0.36 -4.89 118.68 120.67 2k70 s LEU 115 Ca -0.03 -0.21 -0.26 0.00 -1.03 0.00 0.00 54.13 52.60 2k70 s LEU 115 Cb -0.13 -0.63 -0.10 0.00 0.03 0.00 0.00 46.19 45.36 2k70 s LEU 115 CO 0.03 0.03 1.31 -2.65 0.23 0.00 0.00 176.35 175.30 2k70 n PRO 116 N 3.65 2.08 -4.69 1.29 -0.02 -1.26 -0.31 135.00 135.73 2k70 n PRO 116 Ca -0.22 0.74 -0.33 0.00 -2.02 0.00 0.00 63.50 61.67 2k70 n PRO 116 Cb 0.52 -2.43 -0.14 0.00 -0.02 0.00 0.00 33.50 31.43 2k70 n PRO 116 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2k70 s VAL 117 N -1.17 3.04 0.19 -1.45 1.01 0.93 -0.22 120.40 122.73 2k70 s VAL 117 Ca 0.59 -0.66 -0.19 0.00 0.00 0.00 0.00 61.98 61.72 2k70 s VAL 117 Cb -0.51 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 33.62 2k70 s VAL 117 CO 0.59 0.52 0.54 -0.70 0.00 0.00 0.00 175.10 176.05 2k70 s GLU 118 N 0.47 1.36 -0.51 2.72 2.12 -1.03 -1.37 118.70 122.46 2k70 s GLU 118 Ca -0.09 -0.78 -0.18 0.00 0.36 0.00 0.00 54.97 54.28 2k70 s GLU 118 Cb -0.16 0.54 0.07 0.00 0.26 0.00 0.00 34.13 34.84 2k70 s GLU 118 CO 0.04 -0.58 0.57 0.00 -0.54 0.00 0.00 175.26 174.75 2k70 s ALA 119 N -3.84 3.44 0.00 6.30 0.00 -1.26 -0.68 121.76 125.72 2k70 s ALA 119 Ca 0.07 -1.91 0.00 0.00 0.00 0.00 0.00 51.96 50.11 2k70 s ALA 119 Cb -0.01 -3.29 0.00 0.00 0.00 0.00 0.00 23.12 19.82 2k70 s ALA 119 CO -0.05 -1.96 0.06 0.54 0.00 0.00 0.00 175.76 174.35