#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bse s GLN 3 N 0.00 3.19 0.18 5.55 0.74 -1.26 -4.12 119.66 123.93 2bse s GLN 3 Ca 0.00 -0.73 0.09 0.00 0.05 0.00 0.00 55.36 54.77 2bse s GLN 3 Cb 0.00 -2.81 -0.04 0.00 1.10 0.00 0.00 33.01 31.26 2bse s GLN 3 CO 0.00 -0.21 -0.11 -0.51 -0.55 0.00 0.00 175.29 173.91 2bse s LEU 4 N 1.39 2.92 -0.05 3.68 1.43 -1.26 -1.26 118.68 125.53 2bse s LEU 4 Ca 0.05 -0.60 0.01 0.00 -1.03 0.00 0.00 54.13 52.56 2bse s LEU 4 Cb -0.14 -1.62 0.02 0.00 0.03 0.00 0.00 46.19 44.49 2bse s LEU 4 CO -0.08 0.11 -0.04 -1.10 0.23 0.00 0.00 176.35 175.47 2bse s GLN 5 N -2.79 0.85 0.20 1.70 -0.21 -0.96 -4.89 119.66 113.57 2bse s GLN 5 Ca 0.24 -0.10 0.05 0.00 0.02 0.00 0.00 55.36 55.58 2bse s GLN 5 Cb -0.09 -0.89 -0.04 0.00 1.00 0.00 0.00 33.01 33.00 2bse s GLN 5 CO 0.15 -0.10 0.19 -1.21 -2.12 0.00 0.00 175.29 172.19 2bse s GLU 6 N 1.03 3.01 0.10 2.91 2.02 -1.26 -2.75 118.70 123.75 2bse s GLU 6 Ca -0.09 -0.90 -0.17 0.00 0.02 0.00 0.00 54.97 53.82 2bse s GLU 6 Cb -0.14 -2.67 0.04 0.00 0.10 0.00 0.00 34.13 31.46 2bse s GLU 6 CO -0.00 0.45 0.42 -1.54 0.02 0.00 0.00 175.26 174.61 2bse s SER 7 N -3.45 -0.28 0.00 -0.19 1.04 -0.84 -5.00 113.70 104.98 2bse s SER 7 Ca 0.32 -0.18 0.00 0.00 0.48 0.00 0.00 55.95 56.57 2bse s SER 7 Cb -0.09 0.47 0.00 0.00 0.10 0.00 0.00 66.02 66.49 2bse s SER 7 CO 0.25 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.28 2bse n GLY 8 N 0.01 -1.67 6.71 7.32 0.00 -1.26 -1.34 105.19 114.95 2bse n GLY 8 Ca -0.17 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.23 2bse n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 9 N 0.00 -1.40 0.27 -0.02 0.00 -1.24 -4.94 105.19 97.87 2bse n GLY 9 Ca 0.00 -1.32 0.00 0.00 0.00 0.00 0.00 46.02 44.70 2bse n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 10 N 0.00 -1.74 3.77 -0.02 0.00 -0.02 -4.94 105.19 102.24 2bse n GLY 10 Ca 0.00 -2.02 -0.38 0.00 0.00 0.00 0.00 46.02 43.62 2bse n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2bse s LEU 11 N 0.00 4.25 -0.21 0.99 1.43 -1.26 -2.02 118.68 121.86 2bse s LEU 11 Ca 0.00 2.10 -0.18 0.00 -1.03 0.00 0.00 54.13 55.02 2bse s LEU 11 Cb 0.00 -4.03 0.06 0.00 0.03 0.00 0.00 46.19 42.25 2bse s LEU 11 CO 0.00 -0.39 0.55 0.54 0.23 0.00 0.00 176.35 177.28 2bse s VAL 12 N -1.52 -0.00 0.65 -1.59 0.11 0.11 -4.93 120.40 113.23 2bse s VAL 12 Ca 0.54 0.01 -0.18 0.00 -2.93 0.00 0.00 61.98 59.42 2bse s VAL 12 Cb -0.25 -0.78 -0.01 0.00 -1.53 0.00 0.00 36.38 33.81 2bse s VAL 12 CO 0.31 0.00 1.30 -1.10 -3.33 0.00 0.00 175.10 172.28 2bse s GLN 13 N 0.52 2.53 0.40 1.54 -0.21 -1.26 -1.25 119.66 121.93 2bse s GLN 13 Ca -0.02 2.08 -0.26 0.00 0.02 0.00 0.00 55.36 57.18 2bse s GLN 13 Cb -0.04 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 32.04 2bse s GLN 13 CO -0.02 -1.62 1.29 0.00 -2.12 0.00 0.00 175.29 172.82 2bse s ALA 14 N -1.38 3.27 0.00 6.09 0.00 -0.16 -1.87 121.76 127.69 2bse s ALA 14 Ca 0.83 1.22 0.00 0.00 0.00 0.00 0.00 51.96 54.00 2bse s ALA 14 Cb -0.38 -3.48 0.00 0.00 0.00 0.00 0.00 23.12 19.26 2bse s ALA 14 CO 0.40 -0.79 0.00 0.41 0.00 0.00 0.00 175.76 175.78 2bse n GLY 15 N 0.67 2.90 0.36 0.00 0.00 -0.42 -4.93 105.19 103.78 2bse n GLY 15 Ca 0.03 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 2bse n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 16 N -2.00 -2.05 3.33 -0.02 0.00 -0.78 -3.70 105.19 99.97 2bse n GLY 16 Ca 0.00 -1.52 -0.21 0.00 0.00 0.00 0.00 46.02 44.28 2bse n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bse s SER 17 N -1.70 2.67 -0.13 1.61 0.01 -1.26 -2.66 113.70 112.24 2bse s SER 17 Ca 0.07 -0.88 -0.23 0.00 1.31 0.00 0.00 55.95 56.22 2bse s SER 17 Cb -0.01 -0.16 0.06 0.00 0.21 0.00 0.00 66.02 66.12 2bse s SER 17 CO 0.05 -0.05 0.57 -0.22 0.41 0.00 0.00 173.24 174.00 2bse s LEU 18 N -2.76 -0.19 -0.16 2.44 2.96 -0.23 -4.98 118.68 115.76 2bse s LEU 18 Ca 0.17 0.86 0.01 0.00 -0.22 0.00 0.00 54.13 54.94 2bse s LEU 18 Cb -0.05 2.05 0.02 0.00 0.50 0.00 0.00 46.19 48.71 2bse s LEU 18 CO 0.07 -0.37 -0.17 -0.60 -1.32 0.00 0.00 176.35 173.96 2bse s ARG 19 N -0.43 2.60 -0.10 1.98 3.52 -1.26 -0.33 118.95 124.93 2bse s ARG 19 Ca -0.06 -0.68 -0.05 0.00 -0.13 0.00 0.00 55.73 54.82 2bse s ARG 19 Cb -0.03 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.04 2bse s ARG 19 CO 0.04 -0.20 0.08 -0.51 -0.81 0.00 0.00 175.30 173.90 2bse s LEU 20 N 1.34 4.03 0.06 -0.88 1.43 0.21 -3.58 118.68 121.29 2bse s LEU 20 Ca 0.03 0.32 0.07 0.00 -1.03 0.00 0.00 54.13 53.53 2bse s LEU 20 Cb -0.13 -1.97 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 2bse s LEU 20 CO -0.10 0.39 -0.20 -0.44 0.23 0.00 0.00 176.35 176.23 2bse s SER 21 N -0.98 2.42 -0.14 2.29 0.01 -0.45 0.02 113.70 116.87 2bse s SER 21 Ca 0.14 -0.56 -0.07 0.00 1.31 0.00 0.00 55.95 56.77 2bse s SER 21 Cb -0.12 -0.18 0.06 0.00 0.21 0.00 0.00 66.02 65.99 2bse s SER 21 CO 0.03 0.12 0.32 0.00 0.41 0.00 0.00 173.24 174.12 2bse s THR 23 N 1.50 1.45 0.07 0.00 -1.32 -1.11 -0.29 115.64 115.94 2bse s THR 23 Ca -0.08 -0.97 -0.01 0.00 -1.21 0.00 0.00 61.69 59.42 2bse s THR 23 Cb -0.10 -1.25 -0.04 0.00 -1.51 0.00 0.00 72.50 69.60 2bse s THR 23 CO -0.10 0.25 0.24 0.00 -2.21 0.00 0.00 174.62 172.80 2bse s ALA 24 N -0.64 3.96 -0.08 11.08 0.00 -0.97 -2.26 121.76 132.85 2bse s ALA 24 Ca 0.06 -0.78 0.15 0.00 0.00 0.00 0.00 51.96 51.39 2bse s ALA 24 Cb -0.08 -1.89 0.11 0.00 0.00 0.00 0.00 23.12 21.26 2bse s ALA 24 CO 0.01 0.79 1.46 0.66 0.00 0.00 0.00 175.76 178.68 2bse h SER 25 N 3.08 0.00 -5.30 0.00 4.64 -1.53 -3.47 113.55 110.97 2bse h SER 25 Ca -0.45 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 60.78 2bse h SER 25 Cb 1.16 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 63.15 2bse h SER 25 CO 0.75 0.55 -0.20 -0.60 -0.87 0.00 0.00 176.83 176.45 2bse s ARG 26 N -3.01 1.49 -0.11 4.77 3.52 -1.26 -5.02 118.95 119.32 2bse s ARG 26 Ca 0.03 -1.32 -0.00 0.00 -0.13 0.00 0.00 55.73 54.31 2bse s ARG 26 Cb 0.08 0.44 -0.02 0.00 -1.56 0.00 0.00 34.95 33.89 2bse s ARG 26 CO 0.75 -0.60 -0.10 0.50 -0.81 0.00 0.00 175.30 175.04 2bse s ARG 27 N -4.03 3.21 0.13 5.12 3.52 -1.26 -4.38 118.95 121.26 2bse s ARG 27 Ca 0.25 -0.62 0.17 0.00 -0.13 0.00 0.00 55.73 55.41 2bse s ARG 27 Cb 0.01 -2.66 -0.07 0.00 -1.56 0.00 0.00 34.95 30.67 2bse s ARG 27 CO 0.10 0.37 0.99 1.79 -0.81 0.00 0.00 175.30 177.74 2bse h THR 28 N 4.96 0.48 0.00 4.11 1.35 -1.99 -3.49 112.91 118.32 2bse h THR 28 Ca -0.34 -1.85 0.00 0.00 -0.55 0.00 0.00 66.41 63.66 2bse h THR 28 Cb 1.19 2.02 0.00 0.00 -1.73 0.00 0.00 68.15 69.63 2bse h THR 28 CO 0.56 0.27 0.00 0.61 -0.25 0.00 0.00 175.52 176.71 2bse n GLY 29 N 1.32 -0.64 3.91 5.82 0.00 -1.26 -5.01 105.19 109.34 2bse n GLY 29 Ca -0.06 -0.55 -0.27 0.00 0.00 0.00 0.00 46.02 45.14 2bse n GLY 29 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2bse s SER 30 N -4.00 5.37 -1.37 1.61 1.04 -1.26 -4.15 113.70 110.95 2bse s SER 30 Ca 0.00 0.76 -0.03 0.00 0.48 0.00 0.00 55.95 57.16 2bse s SER 30 Cb 0.00 -1.63 0.02 0.00 0.10 0.00 0.00 66.02 64.51 2bse s SER 30 CO 0.00 -1.26 0.75 0.59 0.98 0.00 0.00 173.24 174.30 2bse n ASN 31 N -2.77 -1.98 -4.67 7.02 4.13 -1.26 -2.75 115.26 112.98 2bse n ASN 31 Ca 0.06 -0.82 -0.42 0.00 1.68 0.00 0.00 54.58 55.07 2bse n ASN 31 Cb 0.58 -3.94 -0.03 0.00 -1.54 0.00 0.00 39.78 34.86 2bse n ASN 31 CO 0.00 0.00 0.00 0.86 0.28 0.00 0.00 177.26 178.40 2bse s TRP 32 N -3.60 2.27 -0.04 3.10 -0.11 -1.26 -2.44 118.94 116.86 2bse s TRP 32 Ca 0.16 0.36 0.06 0.00 1.22 0.00 0.00 56.10 57.90 2bse s TRP 32 Cb -0.08 -3.87 -0.01 0.00 -1.50 0.00 0.00 33.47 28.00 2bse s TRP 32 CO 0.82 -3.56 -0.22 0.00 -4.62 0.00 0.00 176.95 169.38 2bse s MET 34 N -0.18 0.73 0.00 0.00 -1.94 -0.89 -0.91 119.30 116.11 2bse s MET 34 Ca -0.01 -0.31 0.00 0.00 -1.71 0.00 0.00 55.69 53.66 2bse s MET 34 Cb -0.12 -0.70 0.00 0.00 2.01 0.00 0.00 34.83 36.02 2bse s MET 34 CO 0.02 0.18 0.00 0.41 -0.01 0.00 0.00 175.02 175.63 2bse n GLY 35 N 2.89 1.99 3.07 -0.03 0.00 -0.30 -0.74 105.19 112.08 2bse n GLY 35 Ca -0.14 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 2bse n GLY 35 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2bse s TRP 36 N -1.81 0.83 -0.10 1.61 0.51 -0.06 -1.24 118.94 118.68 2bse s TRP 36 Ca 0.00 -0.38 -0.02 0.00 -2.12 0.00 0.00 56.10 53.58 2bse s TRP 36 Cb 0.00 -0.49 -0.03 0.00 -0.81 0.00 0.00 33.47 32.14 2bse s TRP 36 CO 0.00 -0.02 -0.02 -0.06 -0.51 0.00 0.00 176.95 176.34 2bse s PHE 37 N -1.00 3.10 -0.23 -1.98 0.40 0.22 -2.29 117.98 116.19 2bse s PHE 37 Ca -0.04 0.08 -0.08 0.00 -0.60 0.00 0.00 56.93 56.29 2bse s PHE 37 Cb -0.08 -1.81 -0.04 0.00 0.51 0.00 0.00 43.02 41.60 2bse s PHE 37 CO 0.01 0.35 0.10 0.50 0.70 0.00 0.00 175.22 176.88 2bse s ARG 38 N -0.64 3.85 -0.44 0.44 3.52 0.20 -1.06 118.95 124.83 2bse s ARG 38 Ca 0.10 -0.39 0.03 0.00 -0.13 0.00 0.00 55.73 55.35 2bse s ARG 38 Cb -0.12 -3.37 0.12 0.00 -1.56 0.00 0.00 34.95 30.02 2bse s ARG 38 CO 0.02 -0.01 0.17 -1.14 -0.81 0.00 0.00 175.30 173.53 2bse s GLN 39 N 1.19 1.80 0.31 5.12 0.74 -1.11 -1.23 119.66 126.49 2bse s GLN 39 Ca 0.05 -2.23 -0.29 0.00 0.05 0.00 0.00 55.36 52.95 2bse s GLN 39 Cb -0.14 -3.32 -0.10 0.00 1.10 0.00 0.00 33.01 30.55 2bse s GLN 39 CO 0.04 -1.04 1.32 -0.51 -0.55 0.00 0.00 175.29 174.55 2bse s LEU 40 N 0.36 4.43 -0.18 3.68 1.43 -1.26 -3.45 118.68 123.69 2bse s LEU 40 Ca 0.14 2.66 -0.34 0.00 -1.03 0.00 0.00 54.13 55.56 2bse s LEU 40 Cb -0.22 -3.64 -0.11 0.00 0.03 0.00 0.00 46.19 42.24 2bse s LEU 40 CO -0.04 -0.54 1.97 0.00 0.23 0.00 0.00 176.35 177.97 2bse n ALA 41 N 1.06 0.91 0.00 4.21 0.00 -1.26 -0.81 120.51 124.62 2bse n ALA 41 Ca 0.01 0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2bse n ALA 41 Cb 0.42 -2.53 0.00 0.00 0.00 0.00 0.00 19.45 17.34 2bse n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2bse n GLY 42 N 5.00 2.91 3.97 0.00 0.00 -1.26 -5.02 105.19 110.79 2bse n GLY 42 Ca 0.28 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 46.12 2bse n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bse s LYS 43 N -0.35 2.74 0.45 1.61 -0.14 0.01 -5.10 119.74 118.95 2bse s LYS 43 Ca 0.00 -1.33 -0.23 0.00 -1.36 0.00 0.00 55.97 53.05 2bse s LYS 43 Cb 0.00 -2.64 -0.08 0.00 -1.68 0.00 0.00 37.83 33.43 2bse s LYS 43 CO 0.00 -0.25 1.14 -1.21 -0.76 0.00 0.00 175.35 174.27 2bse s GLU 44 N -4.29 3.82 0.52 1.68 0.41 -1.26 -4.37 118.70 115.22 2bse s GLU 44 Ca 0.53 1.71 -0.21 0.00 -0.41 0.00 0.00 54.97 56.59 2bse s GLU 44 Cb -0.08 -2.41 -0.06 0.00 -1.78 0.00 0.00 34.13 29.81 2bse s GLU 44 CO 0.32 -0.48 1.25 -2.14 -0.49 0.00 0.00 175.26 173.71 2bse s PRO 45 N -2.69 3.34 -0.05 0.39 0.02 -1.26 -4.37 135.00 130.37 2bse s PRO 45 Ca 0.63 1.95 -0.11 0.00 0.02 0.00 0.00 61.00 63.49 2bse s PRO 45 Cb -0.27 -2.23 0.02 0.00 0.02 0.00 0.00 34.50 32.04 2bse s PRO 45 CO 0.33 -0.95 0.26 -1.83 -0.33 0.00 0.00 177.00 174.48 2bse s GLU 46 N -2.93 0.48 -0.32 5.54 -1.05 -0.36 -4.96 118.70 115.09 2bse s GLU 46 Ca 0.70 0.03 -0.29 0.00 -0.15 0.00 0.00 54.97 55.26 2bse s GLU 46 Cb -0.33 0.21 -0.02 0.00 -0.44 0.00 0.00 34.13 33.56 2bse s GLU 46 CO 0.39 -0.10 1.72 -1.17 0.95 0.00 0.00 175.26 177.04 2bse s LEU 47 N -0.67 3.57 -0.15 1.83 1.98 -1.26 -0.63 118.68 123.35 2bse s LEU 47 Ca -0.08 1.29 0.08 0.00 -2.89 0.00 0.00 54.13 52.53 2bse s LEU 47 Cb -0.04 -3.53 -0.23 0.00 0.66 0.00 0.00 46.19 43.05 2bse s LEU 47 CO 0.02 -1.60 0.25 0.55 -1.89 0.00 0.00 176.35 173.69 2bse n VAL 48 N 7.23 1.57 -3.68 1.68 3.14 -0.97 -4.57 118.33 122.73 2bse n VAL 48 Ca 0.21 -0.74 -0.14 0.00 -2.96 0.00 0.00 64.34 60.72 2bse n VAL 48 Cb 0.47 -1.11 -0.08 0.00 -1.06 0.00 0.00 33.84 32.05 2bse n VAL 48 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2bse s VAL 49 N -2.54 0.00 -0.05 1.55 0.11 -1.18 -1.99 120.40 116.30 2bse s VAL 49 Ca -0.16 -0.04 -0.28 0.00 -2.93 0.00 0.00 61.98 58.57 2bse s VAL 49 Cb 0.07 -0.78 0.06 0.00 -1.53 0.00 0.00 36.38 34.21 2bse s VAL 49 CO 0.77 -0.02 0.63 0.00 -3.33 0.00 0.00 175.10 173.14 2bse s ALA 50 N 0.02 -1.62 -0.07 1.54 0.00 -1.00 -0.89 121.76 119.74 2bse s ALA 50 Ca -0.02 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.14 2bse s ALA 50 Cb -0.04 -0.03 0.02 0.00 0.00 0.00 0.00 23.12 23.08 2bse s ALA 50 CO 0.02 -0.35 -0.06 -1.17 0.00 0.00 0.00 175.76 174.20 2bse s LEU 51 N -1.15 1.18 -0.33 0.00 0.20 0.08 -1.49 118.68 117.17 2bse s LEU 51 Ca -0.11 -0.20 -0.27 0.00 0.69 0.00 0.00 54.13 54.24 2bse s LEU 51 Cb -0.01 -0.63 0.01 0.00 -0.43 0.00 0.00 46.19 45.14 2bse s LEU 51 CO 0.09 -0.09 0.97 0.21 -0.29 0.00 0.00 176.35 177.24 2bse s ASN 52 N 1.34 6.80 0.14 3.68 2.47 0.78 -2.10 114.94 128.05 2bse s ASN 52 Ca -0.03 0.84 -0.13 0.00 0.42 0.00 0.00 52.86 53.95 2bse s ASN 52 Cb -0.14 -2.49 -0.00 0.00 -1.45 0.00 0.00 41.25 37.17 2bse s ASN 52 CO -0.03 -0.81 1.57 -0.26 -3.72 0.00 0.00 177.10 173.85 2bse h PHE 53 N 8.20 0.92 0.00 0.43 -1.00 -0.79 -1.05 116.94 123.65 2bse h PHE 53 Ca -0.22 -0.18 -0.07 0.00 2.81 0.00 0.00 57.97 60.31 2bse h PHE 53 Cb 1.07 -0.23 -0.01 0.00 3.61 0.00 0.00 35.95 40.39 2bse h PHE 53 CO 0.82 0.91 -0.35 -0.44 -1.61 0.00 0.00 178.31 177.64 2bse h ASP 54 N 0.67 0.00 0.00 2.17 5.19 -1.93 -3.25 116.42 119.27 2bse h ASP 54 Ca 0.12 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.53 2bse h ASP 54 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2bse h ASP 54 CO 0.03 0.35 -0.50 -1.22 -3.12 0.00 0.00 179.24 174.78 2bse n TYR 55 N -3.48 0.00 -3.62 4.55 4.02 -1.22 -5.01 117.16 112.40 2bse n TYR 55 Ca 0.00 0.00 -0.21 0.00 -0.01 0.00 0.00 57.90 57.68 2bse n TYR 55 Cb 0.51 -0.02 0.05 0.00 -0.02 0.00 0.00 39.34 39.86 2bse n TYR 55 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 176.86 172.38 2bse n ASP 56 N -1.26 -2.03 -4.23 7.72 4.64 -0.41 -5.02 116.55 115.96 2bse n ASP 56 Ca 0.01 -0.73 -0.18 0.00 -1.38 0.00 0.00 54.79 52.51 2bse n ASP 56 Cb 0.15 -4.46 -0.11 0.00 -1.04 0.00 0.00 41.12 35.65 2bse n ASP 56 CO 0.00 0.00 0.00 -0.04 -0.82 0.00 0.00 177.20 176.34 2bse s MET 57 N -5.84 1.00 0.22 -0.67 -1.94 -1.12 -4.98 119.30 105.97 2bse s MET 57 Ca 0.09 -1.20 0.09 0.00 -1.71 0.00 0.00 55.69 52.95 2bse s MET 57 Cb -0.04 -0.91 -0.05 0.00 2.01 0.00 0.00 34.83 35.84 2bse s MET 57 CO 0.78 0.18 -0.15 0.95 -0.01 0.00 0.00 175.02 176.77 2bse s THR 58 N -1.99 1.89 -0.04 2.05 -4.23 -1.26 -0.16 115.64 111.91 2bse s THR 58 Ca 0.07 -2.25 0.03 0.00 -1.18 0.00 0.00 61.69 58.37 2bse s THR 58 Cb -0.06 -2.12 0.00 0.00 1.34 0.00 0.00 72.50 71.66 2bse s THR 58 CO 0.03 -0.54 -0.14 -0.47 -0.54 0.00 0.00 174.62 172.96 2bse s TYR 59 N -2.87 1.43 -0.04 3.99 5.04 -0.56 -5.00 117.35 119.33 2bse s TYR 59 Ca 0.24 -0.41 0.05 0.00 -2.44 0.00 0.00 57.07 54.51 2bse s TYR 59 Cb -0.01 -0.99 -0.01 0.00 0.35 0.00 0.00 41.96 41.30 2bse s TYR 59 CO 0.09 -0.16 -0.19 0.71 -1.34 0.00 0.00 175.55 174.66 2bse s TYR 60 N 0.18 1.89 0.42 4.97 2.02 -1.26 -2.37 117.35 123.19 2bse s TYR 60 Ca -0.05 -0.52 -0.26 0.00 -0.37 0.00 0.00 57.07 55.87 2bse s TYR 60 Cb -0.11 -1.25 -0.08 0.00 -0.40 0.00 0.00 41.96 40.11 2bse s TYR 60 CO 0.02 -0.16 1.30 0.00 -1.57 0.00 0.00 175.55 175.14 2bse s ALA 61 N -0.08 3.22 0.57 3.71 0.00 -0.84 -4.86 121.76 123.48 2bse s ALA 61 Ca -0.02 1.22 0.27 0.00 0.00 0.00 0.00 51.96 53.43 2bse s ALA 61 Cb -0.11 -3.49 1.66 0.00 0.00 0.00 0.00 23.12 21.18 2bse s ALA 61 CO 0.02 -0.85 2.19 -0.44 0.00 0.00 0.00 175.76 176.69 2bse h ASP 62 N 2.56 0.00 0.94 0.00 3.32 -1.96 -1.19 116.42 120.10 2bse h ASP 62 Ca -0.50 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 2bse h ASP 62 Cb 1.25 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.80 2bse h ASP 62 CO 0.62 0.00 -0.08 0.77 -1.72 0.00 0.00 179.24 178.83 2bse h SER 63 N 0.00 0.00 0.00 6.45 4.64 -1.97 -3.27 113.55 119.40 2bse h SER 63 Ca 0.03 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.35 2bse h SER 63 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2bse h SER 63 CO -0.00 0.08 0.00 1.33 -0.87 0.00 0.00 176.83 177.37 2bse n VAL 64 N -3.23 0.10 -1.71 0.95 0.24 -0.54 -5.01 118.33 109.13 2bse n VAL 64 Ca 0.00 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.34 61.38 2bse n VAL 64 Cb 0.34 1.05 -0.03 0.00 -1.47 0.00 0.00 33.84 33.72 2bse n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2bse n LYS 65 N -0.05 2.63 0.00 7.34 4.81 -0.63 -1.72 118.16 130.54 2bse n LYS 65 Ca 0.00 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 2bse n LYS 65 Cb 0.06 -2.78 0.00 0.00 0.02 0.00 0.00 35.03 32.32 2bse n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bse n GLY 66 N 3.86 2.67 0.09 3.14 0.00 -1.26 -4.76 105.19 108.94 2bse n GLY 66 Ca 0.16 -0.07 -0.10 0.00 0.00 0.00 0.00 46.02 46.02 2bse n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2bse n ARG 67 N 0.00 0.66 -4.33 1.61 1.74 -0.94 -4.93 116.66 110.46 2bse n ARG 67 Ca 0.00 0.17 -0.34 0.00 -0.77 0.00 0.00 57.85 56.92 2bse n ARG 67 Cb 0.00 -1.68 -0.09 0.00 -1.02 0.00 0.00 32.46 29.67 2bse n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 2bse s PHE 68 N -2.55 3.13 -0.01 -1.55 0.40 -0.70 -2.14 117.98 114.56 2bse s PHE 68 Ca -0.08 0.15 0.02 0.00 -0.60 0.00 0.00 56.93 56.41 2bse s PHE 68 Cb 0.07 -1.74 -0.00 0.00 0.51 0.00 0.00 43.02 41.86 2bse s PHE 68 CO 0.82 0.47 -0.06 0.99 0.70 0.00 0.00 175.22 178.14 2bse s THR 69 N -0.98 0.45 -0.08 0.64 2.01 -0.67 -4.88 115.64 112.14 2bse s THR 69 Ca 0.16 -0.24 0.03 0.00 0.31 0.00 0.00 61.69 61.96 2bse s THR 69 Cb -0.11 -0.38 0.01 0.00 0.01 0.00 0.00 72.50 72.02 2bse s THR 69 CO 0.06 0.13 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.25 2bse s VAL 70 N -0.09 1.56 0.04 3.82 1.01 -1.26 -1.14 120.40 124.34 2bse s VAL 70 Ca 0.02 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.20 2bse s VAL 70 Cb -0.03 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.97 2bse s VAL 70 CO -0.00 0.45 0.12 -0.94 0.00 0.00 0.00 175.10 174.72 2bse s SER 71 N 0.43 0.15 0.05 3.32 1.04 -1.08 -4.98 113.70 112.63 2bse s SER 71 Ca -0.15 -0.50 0.01 0.00 0.48 0.00 0.00 55.95 55.78 2bse s SER 71 Cb -0.16 0.24 0.01 0.00 0.10 0.00 0.00 66.02 66.21 2bse s SER 71 CO 0.06 -0.52 0.05 -2.11 0.98 0.00 0.00 173.24 171.69 2bse n ARG 72 N 0.74 1.28 0.00 4.02 1.85 -1.26 -0.37 116.66 122.91 2bse n ARG 72 Ca -0.19 -0.29 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 2bse n ARG 72 Cb 0.59 0.02 0.00 0.00 -1.05 0.00 0.00 32.46 32.01 2bse n ARG 72 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2bse n ASP 73 N -2.30 0.00 0.00 2.89 10.43 -1.21 -4.92 116.55 121.44 2bse n ASP 73 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 2bse n ASP 73 Cb 0.05 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.01 2bse n ASP 73 CO 0.00 0.00 0.00 -1.54 -1.07 0.00 0.00 177.20 174.59 2bse n SER 74 N -0.75 0.00 -2.46 -2.24 3.41 -1.26 -4.96 113.62 105.37 2bse n SER 74 Ca 0.00 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.35 2bse n SER 74 Cb 0.00 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 2bse n SER 74 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bse n GLY 75 N 0.00 4.26 0.00 5.00 0.00 -1.26 -4.01 105.19 109.18 2bse n GLY 75 Ca 0.00 -1.84 0.00 0.00 0.00 0.00 0.00 46.02 44.18 2bse n GLY 75 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2bse n LYS 76 N 0.98 4.68 -3.79 1.61 5.02 -1.26 -5.06 118.16 120.35 2bse n LYS 76 Ca 0.48 0.00 -0.28 0.00 -2.02 0.00 0.00 58.31 56.50 2bse n LYS 76 Cb 0.58 -0.44 0.05 0.00 -0.02 0.00 0.00 35.03 35.20 2bse n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 2bse n ASN 77 N -0.08 -5.34 -4.26 4.39 4.05 -1.26 -4.79 115.26 107.97 2bse n ASN 77 Ca 0.00 -0.69 -0.24 0.00 0.45 0.00 0.00 54.58 54.10 2bse n ASN 77 Cb 0.00 -4.35 -0.13 0.00 1.23 0.00 0.00 39.78 36.53 2bse n ASN 77 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 2bse s THR 78 N -3.32 1.62 -0.01 -0.44 2.01 -1.26 -2.30 115.64 111.94 2bse s THR 78 Ca 0.62 -1.36 0.05 0.00 0.31 0.00 0.00 61.69 61.32 2bse s THR 78 Cb -0.30 -1.45 -0.01 0.00 0.01 0.00 0.00 72.50 70.75 2bse s THR 78 CO 0.79 0.04 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.89 2bse s VAL 79 N -1.00 1.41 0.03 3.82 1.01 0.60 -3.32 120.40 122.95 2bse s VAL 79 Ca 0.06 -0.76 0.04 0.00 0.00 0.00 0.00 61.98 61.32 2bse s VAL 79 Cb -0.09 -1.18 -0.03 0.00 0.00 0.00 0.00 36.38 35.08 2bse s VAL 79 CO 0.03 0.40 -0.08 -0.31 0.00 0.00 0.00 175.10 175.14 2bse s TYR 80 N -0.41 2.84 -0.23 5.22 2.02 0.50 -1.43 117.35 125.85 2bse s TYR 80 Ca 0.07 -0.08 0.01 0.00 -0.37 0.00 0.00 57.07 56.70 2bse s TYR 80 Cb -0.07 -1.56 0.06 0.00 -0.40 0.00 0.00 41.96 39.98 2bse s TYR 80 CO -0.01 0.37 -0.06 -1.17 -1.57 0.00 0.00 175.55 173.11 2bse s LEU 81 N -1.58 2.56 -0.27 -1.29 2.96 0.10 -2.64 118.68 118.52 2bse s LEU 81 Ca 0.18 -1.14 -0.18 0.00 -0.22 0.00 0.00 54.13 52.77 2bse s LEU 81 Cb -0.11 -1.21 -0.02 0.00 0.50 0.00 0.00 46.19 45.35 2bse s LEU 81 CO 0.09 -0.22 0.53 -1.58 -1.32 0.00 0.00 176.35 173.85 2bse s GLN 82 N 1.38 4.04 -0.32 1.98 2.00 -0.29 -0.62 119.66 127.83 2bse s GLN 82 Ca -0.05 0.31 -0.05 0.00 -2.00 0.00 0.00 55.36 53.57 2bse s GLN 82 Cb -0.18 -3.66 0.04 0.00 0.80 0.00 0.00 33.01 30.00 2bse s GLN 82 CO -0.06 -0.38 0.07 -1.64 -0.50 0.00 0.00 175.29 172.77 2bse s MET 83 N 2.35 2.65 0.27 1.67 -1.94 0.56 -1.66 119.30 123.20 2bse s MET 83 Ca 0.22 -1.14 0.08 0.00 -1.71 0.00 0.00 55.69 53.13 2bse s MET 83 Cb -0.16 -3.37 -0.04 0.00 2.01 0.00 0.00 34.83 33.28 2bse s MET 83 CO 0.09 -0.61 0.12 -0.80 -0.01 0.00 0.00 175.02 173.81 2bse s ASN 84 N 1.38 5.04 -1.09 3.03 0.01 -0.91 -1.07 114.94 121.33 2bse s ASN 84 Ca -0.02 -0.48 -0.21 0.00 -0.71 0.00 0.00 52.86 51.44 2bse s ASN 84 Cb -0.19 -1.08 0.01 0.00 0.41 0.00 0.00 41.25 40.40 2bse s ASN 84 CO 0.02 -0.08 0.73 -1.20 -1.51 0.00 0.00 177.10 175.06 2bse n SER 85 N -1.09 -5.09 -4.64 -1.22 7.64 -1.12 -4.76 113.62 103.35 2bse n SER 85 Ca -0.06 -1.04 -0.43 0.00 1.01 0.00 0.00 58.87 58.35 2bse n SER 85 Cb 0.59 -2.77 -0.02 0.00 -1.01 0.00 0.00 64.21 60.99 2bse n SER 85 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2bse s LEU 86 N -6.41 4.05 0.58 -3.43 1.02 -1.09 -4.77 118.68 108.62 2bse s LEU 86 Ca 0.39 1.59 -0.13 0.00 0.02 0.00 0.00 54.13 56.01 2bse s LEU 86 Cb -0.17 -3.54 -0.05 0.00 0.02 0.00 0.00 46.19 42.45 2bse s LEU 86 CO 0.89 -0.98 1.01 -0.54 0.02 0.00 0.00 176.35 176.75 2bse s LYS 87 N 4.02 3.73 0.64 1.70 1.02 -1.26 -1.30 119.74 128.29 2bse s LYS 87 Ca 0.61 0.82 0.42 0.00 0.02 0.00 0.00 55.97 57.84 2bse s LYS 87 Cb -0.22 -2.11 2.17 0.00 -0.52 0.00 0.00 37.83 37.15 2bse s LYS 87 CO 0.22 -0.45 2.28 -1.35 -0.92 0.00 0.00 175.35 175.13 2bse h PRO 88 N 0.16 0.00 -0.00 -1.68 0.11 -1.94 -2.57 132.00 126.07 2bse h PRO 88 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 2bse h PRO 88 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2bse h PRO 88 CO 0.62 0.00 -0.10 -0.85 -0.21 0.00 0.00 178.00 177.46 2bse n GLU 89 N -3.11 0.60 0.07 1.05 0.28 -1.26 -3.61 120.64 114.67 2bse n GLU 89 Ca -0.02 -0.18 0.13 0.00 -0.16 0.00 0.00 57.16 56.93 2bse n GLU 89 Cb 0.13 -1.50 0.33 0.00 1.43 0.00 0.00 31.44 31.83 2bse n GLU 89 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 2bse n ASP 90 N -1.04 0.68 -4.65 -1.84 8.00 -0.97 -4.87 116.55 111.85 2bse n ASP 90 Ca 0.14 0.36 -0.42 0.00 0.71 0.00 0.00 54.79 55.57 2bse n ASP 90 Cb 0.27 -0.37 -0.03 0.00 -0.02 0.00 0.00 41.12 40.98 2bse n ASP 90 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 2bse s THR 91 N -3.11 3.41 0.10 -3.53 -1.32 -1.24 -4.92 115.64 105.03 2bse s THR 91 Ca 0.09 0.49 -0.27 0.00 -1.21 0.00 0.00 61.69 60.80 2bse s THR 91 Cb 0.14 -3.34 0.08 0.00 -1.51 0.00 0.00 72.50 67.86 2bse s THR 91 CO 0.64 -0.07 1.00 0.00 -2.21 0.00 0.00 174.62 173.97 2bse s ALA 92 N 4.59 -1.77 -0.22 11.08 0.00 -0.78 -4.68 121.76 129.99 2bse s ALA 92 Ca 0.79 0.39 -0.25 0.00 0.00 0.00 0.00 51.96 52.89 2bse s ALA 92 Cb -0.35 0.55 -0.01 0.00 0.00 0.00 0.00 23.12 23.31 2bse s ALA 92 CO 0.33 -0.97 0.83 0.42 0.00 0.00 0.00 175.76 176.37 2bse s ILE 93 N -3.12 4.85 -0.23 0.00 1.01 -1.22 -1.30 121.20 121.17 2bse s ILE 93 Ca 0.11 1.60 -0.11 0.00 0.00 0.00 0.00 60.65 62.25 2bse s ILE 93 Cb -0.00 -4.13 -0.05 0.00 0.01 0.00 0.00 42.46 38.29 2bse s ILE 93 CO -0.01 -0.04 0.18 -0.31 0.00 0.00 0.00 174.94 174.76 2bse s TYR 94 N 2.60 3.33 -0.18 3.97 1.51 -0.03 -2.74 117.35 125.81 2bse s TYR 94 Ca 0.36 0.26 -0.06 0.00 -1.01 0.00 0.00 57.07 56.63 2bse s TYR 94 Cb -0.16 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.37 2bse s TYR 94 CO 0.09 0.07 0.03 0.71 -1.11 0.00 0.00 175.55 175.34 2bse s TYR 95 N 1.04 3.15 0.26 2.71 1.51 -0.22 -1.13 117.35 124.67 2bse s TYR 95 Ca 0.08 -0.11 -0.30 0.00 -1.01 0.00 0.00 57.07 55.74 2bse s TYR 95 Cb -0.13 -2.05 -0.09 0.00 -0.11 0.00 0.00 41.96 39.58 2bse s TYR 95 CO 0.04 0.04 1.01 0.00 -1.11 0.00 0.00 175.55 175.54 2bse s ALA 97 N -1.18 0.41 -0.04 0.00 0.00 -0.37 0.46 121.76 121.04 2bse s ALA 97 Ca 0.43 -0.51 -0.03 0.00 0.00 0.00 0.00 51.96 51.85 2bse s ALA 97 Cb -0.28 0.01 0.02 0.00 0.00 0.00 0.00 23.12 22.86 2bse s ALA 97 CO 0.36 -0.00 0.10 0.00 0.00 0.00 0.00 175.76 176.22 2bse s ALA 98 N -0.90 -0.22 0.22 0.00 0.00 -0.94 -1.14 121.76 118.78 2bse s ALA 98 Ca -0.06 0.34 -0.13 0.00 0.00 0.00 0.00 51.96 52.11 2bse s ALA 98 Cb -0.07 -0.21 0.00 0.00 0.00 0.00 0.00 23.12 22.84 2bse s ALA 98 CO -0.00 -0.07 0.45 -0.98 0.00 0.00 0.00 175.76 175.16 2bse s ARG 99 N 0.31 1.44 -0.17 0.00 1.70 -0.09 -1.34 118.95 120.79 2bse s ARG 99 Ca -0.02 -1.16 -0.01 0.00 -0.47 0.00 0.00 55.73 54.06 2bse s ARG 99 Cb -0.03 0.46 -0.01 0.00 -0.57 0.00 0.00 34.95 34.80 2bse s ARG 99 CO -0.01 -0.59 -0.12 0.45 -1.08 0.00 0.00 175.30 173.96 2bse s SER 100 N -2.98 3.92 0.00 -2.89 0.15 -1.26 0.07 113.70 110.71 2bse s SER 100 Ca 0.19 -0.42 0.00 0.00 0.70 0.00 0.00 55.95 56.42 2bse s SER 100 Cb 0.00 -1.63 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2bse s SER 100 CO 0.05 0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.17 2bse n GLY 101 N 4.18 -0.22 0.00 9.45 0.00 -1.02 -4.96 105.19 112.62 2bse n GLY 101 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2bse n GLY 101 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bse n GLY 102 N 0.00 -1.17 3.78 -0.02 0.00 -1.14 -5.02 105.19 101.61 2bse n GLY 102 Ca 0.00 -2.17 -0.37 0.00 0.00 0.00 0.00 46.02 43.48 2bse n GLY 102 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bse s PHE 103 N -0.22 3.22 -0.13 1.61 2.99 -1.26 -4.86 117.98 119.32 2bse s PHE 103 Ca 0.00 1.63 -0.12 0.00 0.00 0.00 0.00 56.93 58.44 2bse s PHE 103 Cb 0.00 -3.18 0.04 0.00 0.00 0.00 0.00 43.02 39.87 2bse s PHE 103 CO 0.00 -0.79 0.35 0.45 -0.00 0.00 0.00 175.22 175.23 2bse s SER 104 N -1.48 -0.37 0.16 1.36 0.15 -1.26 -5.01 113.70 107.26 2bse s SER 104 Ca 0.58 0.71 0.25 0.00 0.70 0.00 0.00 55.95 58.19 2bse s SER 104 Cb -0.24 0.70 0.53 0.00 -1.71 0.00 0.00 66.02 65.30 2bse s SER 104 CO 0.30 -0.13 1.50 -1.20 1.20 0.00 0.00 173.24 174.91 2bse n SER 105 N 3.05 0.77 -4.62 5.45 7.64 -1.26 -4.78 113.62 119.86 2bse n SER 105 Ca -0.14 0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.63 2bse n SER 105 Cb 0.57 -0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 63.50 2bse n SER 105 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 2bse s ASN 106 N -4.40 6.78 0.42 6.43 3.04 -1.26 -4.71 114.94 121.25 2bse s ASN 106 Ca 0.08 0.82 0.21 0.00 0.04 0.00 0.00 52.86 54.01 2bse s ASN 106 Cb 0.13 -2.47 1.18 0.00 -1.54 0.00 0.00 41.25 38.54 2bse s ASN 106 CO 0.67 -0.76 1.77 -0.09 -3.04 0.00 0.00 177.10 175.65 2bse h ARG 107 N 8.15 0.32 -7.05 0.43 2.43 -1.97 -3.44 114.38 113.24 2bse h ARG 107 Ca -0.22 -0.02 -0.47 0.00 -0.81 0.00 0.00 59.98 58.46 2bse h ARG 107 Cb 1.08 -0.07 0.02 0.00 -0.42 0.00 0.00 29.97 30.58 2bse h ARG 107 CO 0.96 0.21 0.38 -1.21 -1.51 0.00 0.00 179.97 178.80 2bse s GLU 108 N -5.41 3.90 -1.03 0.20 2.02 -1.26 -3.65 118.70 113.48 2bse s GLU 108 Ca -0.08 1.36 -0.16 0.00 0.02 0.00 0.00 54.97 56.11 2bse s GLU 108 Cb 0.25 -2.18 0.00 0.00 0.10 0.00 0.00 34.13 32.31 2bse s GLU 108 CO 0.80 -0.34 0.72 1.28 0.02 0.00 0.00 175.26 177.73 2bse n LEU 109 N -0.78 -2.62 -4.08 1.80 7.99 -1.26 -5.00 117.00 113.04 2bse n LEU 109 Ca 0.08 -0.94 -0.33 0.00 -0.01 0.00 0.00 56.01 54.81 2bse n LEU 109 Cb 0.52 -2.18 -0.14 0.00 -0.11 0.00 0.00 43.42 41.52 2bse n LEU 109 CO 0.40 0.32 -0.30 -0.31 -1.51 0.00 0.00 177.39 175.98 2bse s TYR 110 N -3.30 3.57 0.45 -1.77 1.51 -1.24 -4.85 117.35 111.72 2bse s TYR 110 Ca 0.31 -2.56 0.16 0.00 -1.01 0.00 0.00 57.07 53.96 2bse s TYR 110 Cb -0.13 -2.75 1.09 0.00 -0.11 0.00 0.00 41.96 40.06 2bse s TYR 110 CO 0.88 -0.92 1.97 -0.44 -1.11 0.00 0.00 175.55 175.93 2bse h ASP 111 N 7.82 0.31 -3.83 2.29 3.32 -1.59 -3.38 116.42 121.36 2bse h ASP 111 Ca -0.11 0.01 -0.69 0.00 0.02 0.00 0.00 57.03 56.26 2bse h ASP 111 Cb 1.04 -0.05 -0.21 0.00 0.22 0.00 0.00 39.33 40.33 2bse h ASP 111 CO 0.57 0.18 -0.74 -0.83 -1.72 0.00 0.00 179.24 176.70 2bse s GLY 112 N -3.83 1.63 -0.12 2.75 0.00 -0.61 -4.42 107.32 102.72 2bse s GLY 112 Ca -0.07 -0.99 -0.04 0.00 0.00 0.00 0.00 44.72 43.63 2bse s GLY 112 CO 0.75 -0.80 0.16 0.86 0.00 0.00 0.00 173.10 174.07 2bse s TRP 113 N -0.83 -0.15 0.85 1.90 -0.11 -1.26 -2.22 118.94 117.12 2bse s TRP 113 Ca 0.13 0.40 -0.11 0.00 1.22 0.00 0.00 56.10 57.75 2bse s TRP 113 Cb -0.11 -0.34 0.11 0.00 -1.50 0.00 0.00 33.47 31.63 2bse s TRP 113 CO 0.03 -0.38 1.13 0.20 -4.62 0.00 0.00 176.95 173.31 2bse s GLY 114 N 2.28 1.74 0.44 5.86 0.00 0.17 -4.89 107.32 112.92 2bse s GLY 114 Ca 0.04 0.50 0.28 0.00 0.00 0.00 0.00 44.72 45.54 2bse s GLY 114 CO -0.08 0.89 1.80 1.46 0.00 0.00 0.00 173.10 177.17 2bse h GLN 115 N -1.47 0.00 0.00 2.90 4.20 -1.90 -3.43 115.11 115.40 2bse h GLN 115 Ca -0.44 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2bse h GLN 115 Cb 1.26 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2bse h GLN 115 CO 0.46 0.00 0.00 0.41 -0.67 0.00 0.00 178.83 179.03 2bse n GLY 116 N 0.54 2.45 2.91 3.46 0.00 -1.26 -5.05 105.19 108.24 2bse n GLY 116 Ca 0.03 -1.61 -0.24 0.00 0.00 0.00 0.00 46.02 44.20 2bse n GLY 116 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2bse s THR 117 N -1.25 0.84 0.08 2.61 -1.32 -0.28 -4.96 115.64 111.37 2bse s THR 117 Ca 0.00 -0.23 -0.31 0.00 -1.21 0.00 0.00 61.69 59.94 2bse s THR 117 Cb 0.00 -0.86 -0.07 0.00 -1.51 0.00 0.00 72.50 70.06 2bse s THR 117 CO 0.00 0.32 1.28 -1.58 -2.21 0.00 0.00 174.62 172.43 2bse s GLN 118 N 1.34 4.38 -0.31 7.08 2.00 -1.26 -0.85 119.66 132.04 2bse s GLN 118 Ca -0.03 1.90 0.03 0.00 -2.00 0.00 0.00 55.36 55.26 2bse s GLN 118 Cb -0.14 -3.31 0.08 0.00 0.80 0.00 0.00 33.01 30.45 2bse s GLN 118 CO -0.03 -0.34 -0.02 0.08 -0.50 0.00 0.00 175.29 174.49 2bse s VAL 119 N 1.10 2.26 -0.21 1.34 1.01 -0.42 -0.84 120.40 124.64 2bse s VAL 119 Ca 0.61 -2.04 -0.08 0.00 0.00 0.00 0.00 61.98 60.48 2bse s VAL 119 Cb -0.33 -2.53 -0.04 0.00 0.00 0.00 0.00 36.38 33.49 2bse s VAL 119 CO 0.30 -0.36 0.08 -0.89 0.00 0.00 0.00 175.10 174.23 2bse s THR 120 N 0.99 4.73 -0.25 3.92 2.01 -0.86 -1.87 115.64 124.31 2bse s THR 120 Ca 0.02 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.90 2bse s THR 120 Cb -0.19 -3.17 -0.04 0.00 0.01 0.00 0.00 72.50 69.11 2bse s THR 120 CO -0.07 0.41 0.11 -0.69 -0.69 0.00 0.00 174.62 173.68 2bse s VAL 121 N 0.84 4.65 0.00 3.82 1.01 -1.26 -0.71 120.40 128.74 2bse s VAL 121 Ca 0.04 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 61.96 2bse s VAL 121 Cb -0.13 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.06 2bse s VAL 121 CO 0.02 0.32 0.00 -1.54 0.00 0.00 0.00 175.10 173.91 2bse n SER 122 N 4.85 1.44 0.00 3.32 3.41 -0.38 -4.88 113.62 121.38 2bse n SER 122 Ca -0.16 -0.65 0.13 0.00 -0.26 0.00 0.00 58.87 57.93 2bse n SER 122 Cb 0.52 0.00 0.75 0.00 -0.26 0.00 0.00 64.21 65.21 2bse n SER 122 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68