#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3idx s VAL 2 N 0.00 3.39 -0.04 5.09 1.01 -1.26 -4.03 120.40 124.57 3idx s VAL 2 Ca 0.00 0.47 0.02 0.00 0.00 0.00 0.00 61.98 62.48 3idx s VAL 2 Cb 0.00 -3.31 0.01 0.00 0.00 0.00 0.00 36.38 33.08 3idx s VAL 2 CO 0.00 -0.05 -0.09 -1.10 0.00 0.00 0.00 175.10 173.86 3idx s GLN 3 N 4.25 1.09 -0.04 2.72 -0.21 -0.51 -5.01 119.66 121.95 3idx s GLN 3 Ca 0.79 -0.30 0.04 0.00 0.02 0.00 0.00 55.36 55.91 3idx s GLN 3 Cb -0.36 -1.00 0.00 0.00 1.00 0.00 0.00 33.01 32.65 3idx s GLN 3 CO 0.34 0.07 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.92 3idx s LEU 4 N 0.40 1.85 -0.18 2.90 1.43 -1.26 -2.30 118.68 121.52 3idx s LEU 4 Ca -0.07 -0.30 -0.03 0.00 -1.03 0.00 0.00 54.13 52.70 3idx s LEU 4 Cb -0.11 -0.84 0.06 0.00 0.03 0.00 0.00 46.19 45.33 3idx s LEU 4 CO 0.01 0.12 0.05 -0.69 0.23 0.00 0.00 176.35 176.07 3idx s VAL 5 N 0.15 0.33 0.48 -1.59 1.01 -0.75 -4.26 120.40 115.76 3idx s VAL 5 Ca -0.05 -0.38 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 3idx s VAL 5 Cb -0.11 -0.85 -0.09 0.00 0.00 0.00 0.00 36.38 35.33 3idx s VAL 5 CO 0.02 -0.19 0.98 -1.61 0.00 0.00 0.00 175.10 174.31 3idx s GLU 6 N 1.95 4.00 0.05 2.72 8.01 -1.26 -0.81 118.70 133.36 3idx s GLU 6 Ca 0.00 1.13 -0.05 0.00 0.01 0.00 0.00 54.97 56.06 3idx s GLU 6 Cb -0.16 -2.14 -0.02 0.00 -4.31 0.00 0.00 34.13 27.50 3idx s GLU 6 CO -0.08 -0.23 0.09 -1.12 0.01 0.00 0.00 175.26 173.93 3idx s SER 7 N -2.42 0.23 0.00 -0.19 0.01 -0.72 -4.89 113.70 105.73 3idx s SER 7 Ca 0.62 -0.66 0.00 0.00 1.31 0.00 0.00 55.95 57.22 3idx s SER 7 Cb -0.11 0.24 0.00 0.00 0.21 0.00 0.00 66.02 66.36 3idx s SER 7 CO 0.21 -0.57 0.00 0.61 0.41 0.00 0.00 173.24 173.90 3idx n GLY 8 N 0.46 1.25 3.90 3.44 0.00 -1.26 -2.33 105.19 110.64 3idx n GLY 8 Ca -0.17 -0.30 -0.28 0.00 0.00 0.00 0.00 46.02 45.27 3idx n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3idx s GLY 9 N -2.31 1.66 0.00 -0.02 0.00 -1.26 -4.70 107.32 100.69 3idx s GLY 9 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 44.72 44.30 3idx s GLY 9 CO 0.00 -0.26 0.00 0.61 0.00 0.00 0.00 173.10 173.45 3idx n GLY 10 N -1.86 -0.36 3.86 0.20 0.00 -0.52 -4.96 105.19 101.55 3idx n GLY 10 Ca 0.01 -0.99 -0.34 0.00 0.00 0.00 0.00 46.02 44.70 3idx n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3idx s VAL 11 N -3.61 4.92 -0.25 1.61 1.01 -1.26 -0.03 120.40 122.79 3idx s VAL 11 Ca 0.00 0.61 -0.13 0.00 0.00 0.00 0.00 61.98 62.46 3idx s VAL 11 Cb 0.00 -3.67 0.08 0.00 0.00 0.00 0.00 36.38 32.79 3idx s VAL 11 CO 0.00 0.09 0.59 0.54 0.00 0.00 0.00 175.10 176.32 3idx s VAL 12 N -1.63 -0.17 0.42 2.92 0.11 -0.46 -4.92 120.40 116.67 3idx s VAL 12 Ca 0.42 0.04 -0.22 0.00 -2.93 0.00 0.00 61.98 59.29 3idx s VAL 12 Cb -0.13 -0.87 -0.11 0.00 -1.53 0.00 0.00 36.38 33.74 3idx s VAL 12 CO 0.20 0.01 0.96 0.00 -3.33 0.00 0.00 175.10 172.94 3idx s GLN 13 N 1.79 4.24 0.13 1.54 -2.07 -1.19 -2.08 119.66 122.02 3idx s GLN 13 Ca -0.09 1.18 -0.34 0.00 -1.82 0.00 0.00 55.36 54.29 3idx s GLN 13 Cb -0.07 -2.26 -0.17 0.00 -1.09 0.00 0.00 33.01 29.41 3idx s GLN 13 CO -0.17 -0.02 1.02 -2.30 -1.32 0.00 0.00 175.29 172.49 3idx n PRO 14 N -0.49 0.66 0.00 9.60 -0.02 -1.26 -1.64 135.00 141.84 3idx n PRO 14 Ca 0.06 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.78 3idx n PRO 14 Cb 0.53 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 3idx n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3idx n GLY 15 N 1.89 2.84 2.70 -1.23 0.00 -0.10 -4.92 105.19 106.38 3idx n GLY 15 Ca 0.17 -0.22 -0.22 0.00 0.00 0.00 0.00 46.02 45.75 3idx n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3idx n ARG 16 N 0.00 -1.93 -4.57 1.61 5.12 -0.65 -3.24 116.66 113.00 3idx n ARG 16 Ca 0.00 -1.39 -0.26 0.00 -1.93 0.00 0.00 57.85 54.27 3idx n ARG 16 Cb 0.00 -1.13 -0.11 0.00 -1.16 0.00 0.00 32.46 30.06 3idx n ARG 16 CO 0.00 0.00 0.00 -1.54 -1.93 0.00 0.00 177.63 174.16 3idx s SER 17 N -4.06 3.53 -0.16 0.55 1.04 -1.26 -2.80 113.70 110.54 3idx s SER 17 Ca 0.54 -1.34 -0.28 0.00 0.48 0.00 0.00 55.95 55.34 3idx s SER 17 Cb -0.04 -0.32 0.08 0.00 0.10 0.00 0.00 66.02 65.84 3idx s SER 17 CO 0.40 -0.45 0.76 -0.22 0.98 0.00 0.00 173.24 174.71 3idx s LEU 18 N -3.65 -0.64 -0.16 2.42 0.20 -0.74 -4.99 118.68 111.12 3idx s LEU 18 Ca 0.35 0.95 -0.01 0.00 0.69 0.00 0.00 54.13 56.11 3idx s LEU 18 Cb 0.09 2.38 0.04 0.00 -0.43 0.00 0.00 46.19 48.27 3idx s LEU 18 CO 0.17 -0.41 -0.05 -0.60 -0.29 0.00 0.00 176.35 175.17 3idx s ARG 19 N -0.51 1.38 0.28 1.98 3.52 -1.26 -0.46 118.95 123.88 3idx s ARG 19 Ca -0.05 -0.47 -0.06 0.00 -0.13 0.00 0.00 55.73 55.02 3idx s ARG 19 Cb -0.02 -1.94 -0.06 0.00 -1.56 0.00 0.00 34.95 31.37 3idx s ARG 19 CO 0.04 -0.42 0.56 -0.51 -0.81 0.00 0.00 175.30 174.16 3idx s LEU 20 N 1.66 4.08 0.34 -0.88 1.43 0.52 -4.81 118.68 121.02 3idx s LEU 20 Ca 0.01 0.77 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 3idx s LEU 20 Cb -0.15 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.45 3idx s LEU 20 CO -0.08 -0.17 0.10 -0.94 0.23 0.00 0.00 176.35 175.50 3idx s SER 21 N -2.96 2.22 -0.14 2.29 1.04 -0.98 -0.87 113.70 114.29 3idx s SER 21 Ca 0.45 -1.51 -0.04 0.00 0.48 0.00 0.00 55.95 55.32 3idx s SER 21 Cb -0.11 0.23 0.07 0.00 0.10 0.00 0.00 66.02 66.32 3idx s SER 21 CO 0.28 -0.78 0.25 0.00 0.98 0.00 0.00 173.24 173.97 3idx s ALA 23 N 2.40 3.59 0.03 0.00 0.00 0.01 -1.72 121.76 126.06 3idx s ALA 23 Ca 0.03 -0.37 0.03 0.00 0.00 0.00 0.00 51.96 51.65 3idx s ALA 23 Cb -0.13 -3.03 -0.04 0.00 0.00 0.00 0.00 23.12 19.93 3idx s ALA 23 CO -0.09 -0.73 -0.00 0.00 0.00 0.00 0.00 175.76 174.93 3idx s ALA 24 N 2.34 3.27 0.08 0.00 0.00 -0.60 -1.81 121.76 125.04 3idx s ALA 24 Ca 0.27 -1.00 -0.26 0.00 0.00 0.00 0.00 51.96 50.97 3idx s ALA 24 Cb -0.16 -1.29 0.09 0.00 0.00 0.00 0.00 23.12 21.76 3idx s ALA 24 CO 0.09 0.66 0.75 -1.54 0.00 0.00 0.00 175.76 175.72 3idx s SER 25 N -1.77 -0.46 0.00 0.00 1.04 -0.97 -4.88 113.70 106.66 3idx s SER 25 Ca 0.21 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.63 3idx s SER 25 Cb -0.12 0.49 0.00 0.00 0.10 0.00 0.00 66.02 66.50 3idx s SER 25 CO 0.12 -0.80 0.00 0.61 0.98 0.00 0.00 173.24 174.16 3idx n GLY 26 N -0.31 0.23 3.60 7.32 0.00 -1.26 -1.42 105.19 113.35 3idx n GLY 26 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 3idx n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3idx s PHE 27 N -2.06 -0.16 -0.95 1.61 -0.71 -1.26 -4.31 117.98 110.13 3idx s PHE 27 Ca 0.00 -0.20 -0.24 0.00 -1.04 0.00 0.00 56.93 55.45 3idx s PHE 27 Cb 0.00 0.48 0.00 0.00 -1.21 0.00 0.00 43.02 42.29 3idx s PHE 27 CO 0.00 -1.00 1.68 0.99 -1.34 0.00 0.00 175.22 175.56 3idx s THR 28 N -3.88 3.69 0.29 -4.49 2.01 -1.26 -4.85 115.64 107.15 3idx s THR 28 Ca 0.10 -0.54 0.04 0.00 0.31 0.00 0.00 61.69 61.60 3idx s THR 28 Cb -0.02 -4.55 0.30 0.00 0.01 0.00 0.00 72.50 68.24 3idx s THR 28 CO -0.01 -1.46 1.67 0.15 -0.69 0.00 0.00 174.62 174.28 3idx h PHE 29 N 10.59 0.54 0.00 4.92 3.57 -1.95 -1.57 116.94 133.04 3idx h PHE 29 Ca 0.13 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.68 3idx h PHE 29 Cb 1.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.66 3idx h PHE 29 CO 1.24 -0.13 0.00 2.89 -2.23 0.00 0.00 178.31 180.09 3idx n ARG 30 N -5.12 0.65 0.00 1.11 1.85 -1.26 -2.22 116.66 111.67 3idx n ARG 30 Ca 0.22 0.01 0.11 0.00 -1.00 0.00 0.00 57.85 57.19 3idx n ARG 30 Cb 0.69 -1.50 -0.15 0.00 -1.05 0.00 0.00 32.46 30.45 3idx n ARG 30 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3idx n ASN 31 N -1.02 0.10 -4.70 2.89 3.02 -0.59 -4.60 115.26 110.36 3idx n ASN 31 Ca 0.16 0.03 -0.35 0.00 -0.03 0.00 0.00 54.58 54.39 3idx n ASN 31 Cb 0.08 1.82 -0.09 0.00 -0.61 0.00 0.00 39.78 40.98 3idx n ASN 31 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 3idx s TYR 32 N -3.50 3.19 0.73 3.10 1.51 -0.94 -4.74 117.35 116.70 3idx s TYR 32 Ca -0.07 0.21 -0.11 0.00 -1.01 0.00 0.00 57.07 56.09 3idx s TYR 32 Cb 0.14 -1.79 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 3idx s TYR 32 CO 0.90 0.49 1.08 0.00 -1.11 0.00 0.00 175.55 176.91 3idx s ALA 33 N -0.92 2.43 0.05 3.71 0.00 -1.26 -4.17 121.76 121.60 3idx s ALA 33 Ca 0.14 0.25 0.03 0.00 0.00 0.00 0.00 51.96 52.39 3idx s ALA 33 Cb -0.11 -3.25 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 3idx s ALA 33 CO 0.04 -1.51 -0.10 -1.64 0.00 0.00 0.00 175.76 172.55 3idx s MET 34 N -4.81 0.64 0.12 0.00 1.00 0.06 -2.19 119.30 114.12 3idx s MET 34 Ca 0.61 -0.85 0.10 0.00 0.00 0.00 0.00 55.69 55.55 3idx s MET 34 Cb -0.17 -0.47 -0.04 0.00 0.00 0.00 0.00 34.83 34.16 3idx s MET 34 CO 0.53 0.09 -0.26 -1.01 0.00 0.00 0.00 175.02 174.37 3idx s HIS 35 N -1.45 2.20 -0.16 -0.03 3.76 0.48 -0.96 115.29 119.13 3idx s HIS 35 Ca -0.06 -0.39 0.00 0.00 -0.15 0.00 0.00 55.06 54.46 3idx s HIS 35 Cb -0.09 -1.20 0.00 0.00 1.11 0.00 0.00 32.58 32.40 3idx s HIS 35 CO 0.01 0.31 -0.16 -1.58 -0.85 0.00 0.00 174.74 172.47 3idx s TRP 36 N -1.08 2.78 -0.02 1.40 0.52 0.45 -1.54 118.94 121.45 3idx s TRP 36 Ca 0.12 -1.19 0.05 0.00 0.02 0.00 0.00 56.10 55.11 3idx s TRP 36 Cb -0.10 -1.91 -0.01 0.00 -1.15 0.00 0.00 33.47 30.30 3idx s TRP 36 CO 0.06 -0.56 -0.17 0.08 0.02 0.00 0.00 176.95 176.37 3idx s VAL 37 N 0.97 1.39 0.17 4.03 1.01 -0.36 -0.64 120.40 126.98 3idx s VAL 37 Ca -0.02 -0.73 0.09 0.00 0.00 0.00 0.00 61.98 61.32 3idx s VAL 37 Cb -0.15 -1.17 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3idx s VAL 37 CO -0.03 0.40 -0.20 0.00 0.00 0.00 0.00 175.10 175.27 3idx s ARG 38 N -0.24 1.34 -0.20 2.72 1.70 -0.43 0.23 118.95 124.06 3idx s ARG 38 Ca 0.03 -1.44 -0.05 0.00 -0.47 0.00 0.00 55.73 53.81 3idx s ARG 38 Cb -0.08 -1.47 0.07 0.00 -0.57 0.00 0.00 34.95 32.89 3idx s ARG 38 CO 0.00 0.31 0.10 -1.14 -1.08 0.00 0.00 175.30 173.49 3idx s GLN 39 N -2.74 0.14 0.89 3.89 0.74 -0.25 -0.60 119.66 121.75 3idx s GLN 39 Ca 0.17 -0.23 -0.11 0.00 0.05 0.00 0.00 55.36 55.24 3idx s GLN 39 Cb -0.06 -1.68 0.13 0.00 1.10 0.00 0.00 33.01 32.49 3idx s GLN 39 CO 0.07 -0.76 1.11 0.00 -0.55 0.00 0.00 175.29 175.16 3idx s ALA 40 N 2.10 1.51 -0.37 1.58 0.00 -1.26 -2.21 121.76 123.12 3idx s ALA 40 Ca 0.04 0.31 -0.41 0.00 0.00 0.00 0.00 51.96 51.90 3idx s ALA 40 Cb -0.16 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.47 3idx s ALA 40 CO -0.16 -2.51 1.92 -2.30 0.00 0.00 0.00 175.76 172.71 3idx n PRO 41 N -4.03 0.74 -1.63 0.00 -0.02 -1.26 -1.51 135.00 127.29 3idx n PRO 41 Ca 0.09 0.25 -0.19 0.00 -2.02 0.00 0.00 63.50 61.62 3idx n PRO 41 Cb 0.53 -1.99 -0.08 0.00 -0.02 0.00 0.00 33.50 31.94 3idx n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3idx n GLY 42 N 5.45 1.71 0.00 -1.23 0.00 -1.26 -4.95 105.19 104.90 3idx n GLY 42 Ca 0.37 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 46.31 3idx n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3idx n LYS 43 N -2.47 3.80 -3.25 1.61 5.02 -0.57 -5.15 118.16 117.15 3idx n LYS 43 Ca -0.20 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 55.90 3idx n LYS 43 Cb 0.64 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.66 3idx n LYS 43 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3idx s GLY 44 N -0.20 1.99 -0.33 0.72 0.00 -1.26 -4.82 107.32 103.41 3idx s GLY 44 Ca 0.00 -1.80 -0.29 0.00 0.00 0.00 0.00 44.72 42.63 3idx s GLY 44 CO 0.00 -1.63 1.09 1.08 0.00 0.00 0.00 173.10 173.63 3idx s LEU 45 N -4.35 3.91 -0.26 0.66 1.43 -1.26 -4.27 118.68 114.54 3idx s LEU 45 Ca 0.53 1.00 -0.04 0.00 -1.03 0.00 0.00 54.13 54.59 3idx s LEU 45 Cb -0.06 -3.54 0.01 0.00 0.03 0.00 0.00 46.19 42.63 3idx s LEU 45 CO 0.32 -0.92 -0.01 -0.70 0.23 0.00 0.00 176.35 175.27 3idx s GLU 46 N 3.73 3.03 0.16 1.70 2.12 0.23 -4.98 118.70 124.70 3idx s GLU 46 Ca 0.46 -0.86 -0.31 0.00 0.36 0.00 0.00 54.97 54.62 3idx s GLU 46 Cb -0.12 -3.11 -0.09 0.00 0.26 0.00 0.00 34.13 31.07 3idx s GLU 46 CO 0.17 -0.37 1.46 -0.46 -0.54 0.00 0.00 175.26 175.52 3idx s TRP 47 N 1.41 3.14 -0.15 5.30 -0.00 -1.26 -1.32 118.94 126.06 3idx s TRP 47 Ca 0.02 0.85 -0.08 0.00 -0.00 0.00 0.00 56.10 56.89 3idx s TRP 47 Cb -0.16 -3.80 -0.06 0.00 -0.00 0.00 0.00 33.47 29.45 3idx s TRP 47 CO -0.02 -2.81 -0.20 0.28 -0.00 0.00 0.00 176.95 174.20 3idx n VAL 48 N 3.64 0.88 -3.54 5.86 0.31 0.18 -4.62 118.33 121.04 3idx n VAL 48 Ca 0.11 -0.18 -0.13 0.00 -0.01 0.00 0.00 64.34 64.13 3idx n VAL 48 Cb 0.40 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.57 3idx n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3idx s ALA 49 N -2.29 -1.34 -0.01 3.52 0.00 -0.91 -0.96 121.76 119.77 3idx s ALA 49 Ca -0.21 0.44 -0.00 0.00 0.00 0.00 0.00 51.96 52.19 3idx s ALA 49 Cb 0.08 0.60 0.01 0.00 0.00 0.00 0.00 23.12 23.81 3idx s ALA 49 CO 0.27 -0.61 0.01 -1.17 0.00 0.00 0.00 175.76 174.25 3idx s LEU 50 N -2.38 1.69 -0.05 0.00 2.96 -0.07 -0.41 118.68 120.43 3idx s LEU 50 Ca -0.02 0.02 0.03 0.00 -0.22 0.00 0.00 54.13 53.93 3idx s LEU 50 Cb -0.00 -0.02 0.01 0.00 0.50 0.00 0.00 46.19 46.68 3idx s LEU 50 CO -0.07 -0.04 -0.11 -0.51 -1.32 0.00 0.00 176.35 174.29 3idx s ILE 51 N 0.35 1.00 0.89 6.68 2.07 -0.14 -0.77 121.20 131.29 3idx s ILE 51 Ca -0.03 -0.44 -0.12 0.00 -1.41 0.00 0.00 60.65 58.65 3idx s ILE 51 Cb -0.04 -0.91 0.13 0.00 0.13 0.00 0.00 42.46 41.77 3idx s ILE 51 CO -0.01 0.31 1.15 -0.54 -1.91 0.00 0.00 174.94 173.94 3idx s LYS 52 N 0.44 1.32 0.25 3.50 -0.14 -0.79 -0.76 119.74 123.56 3idx s LYS 52 Ca -0.09 0.26 -0.03 0.00 -1.36 0.00 0.00 55.97 54.74 3idx s LYS 52 Cb -0.13 -1.86 0.51 0.00 -1.68 0.00 0.00 37.83 34.67 3idx s LYS 52 CO 0.02 -2.07 1.69 0.10 -0.76 0.00 0.00 175.35 174.33 3idx h TYR 52 N -1.40 0.34 -0.27 3.18 -0.00 -1.85 0.76 116.97 117.72 3idx h TYR 52 Ca -0.50 0.04 0.00 0.00 0.00 0.00 0.00 58.73 58.28 3idx h TYR 52 Cb 1.33 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 38.03 3idx h TYR 52 CO 0.30 -0.08 0.00 -0.40 -0.00 0.00 0.00 178.16 177.98 3idx n ASP 53 N -5.14 2.66 -0.37 0.10 5.75 -1.26 -4.75 116.55 113.53 3idx n ASP 53 Ca 0.16 -2.28 -0.04 0.00 -0.01 0.00 0.00 54.79 52.61 3idx n ASP 53 Cb 0.49 -0.47 -0.02 0.00 -1.03 0.00 0.00 41.12 40.09 3idx n ASP 53 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3idx n GLY 54 N 0.48 0.42 0.03 6.12 0.00 0.26 -4.82 105.19 107.69 3idx n GLY 54 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.11 3idx n GLY 54 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3idx h ARG 55 N 0.00 0.00 -6.25 1.61 2.43 -1.90 -3.46 114.38 106.81 3idx h ARG 55 Ca -0.09 0.00 -0.56 0.00 -0.81 0.00 0.00 59.98 58.52 3idx h ARG 55 Cb 0.92 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.44 3idx h ARG 55 CO 0.13 0.00 0.81 -0.80 -1.51 0.00 0.00 179.97 178.60 3idx s ASN 56 N -4.61 6.97 0.04 -3.80 0.02 -1.26 -4.95 114.94 107.34 3idx s ASN 56 Ca -0.07 1.82 0.08 0.00 -1.02 0.00 0.00 52.86 53.67 3idx s ASN 56 Cb 0.01 -2.55 -0.03 0.00 0.02 0.00 0.00 41.25 38.70 3idx s ASN 56 CO 0.10 -0.68 -0.24 -0.54 0.02 0.00 0.00 177.10 175.76 3idx s LYS 57 N 2.81 1.66 -0.02 -0.60 1.02 -1.26 -1.89 119.74 121.46 3idx s LYS 57 Ca 0.57 -1.01 0.03 0.00 0.02 0.00 0.00 55.97 55.58 3idx s LYS 57 Cb -0.25 -1.78 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3idx s LYS 57 CO 0.20 0.46 -0.11 0.71 -0.92 0.00 0.00 175.35 175.69 3idx s TYR 58 N -0.76 1.11 0.14 3.18 1.51 0.05 -4.99 117.35 117.58 3idx s TYR 58 Ca 0.10 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 55.97 3idx s TYR 58 Cb -0.09 -0.76 -0.04 0.00 -0.11 0.00 0.00 41.96 40.96 3idx s TYR 58 CO 0.02 -0.08 -0.18 0.71 -1.11 0.00 0.00 175.55 174.90 3idx s TYR 59 N 0.02 1.72 0.41 2.71 1.51 -1.26 -0.89 117.35 121.57 3idx s TYR 59 Ca -0.01 -0.47 -0.22 0.00 -1.01 0.00 0.00 57.07 55.36 3idx s TYR 59 Cb -0.08 -0.89 -0.10 0.00 -0.11 0.00 0.00 41.96 40.77 3idx s TYR 59 CO 0.00 0.25 0.96 0.00 -1.11 0.00 0.00 175.55 175.66 3idx s ALA 60 N -1.77 3.07 0.33 3.71 0.00 -0.14 -4.93 121.76 122.04 3idx s ALA 60 Ca 0.11 0.47 0.07 0.00 0.00 0.00 0.00 51.96 52.61 3idx s ALA 60 Cb -0.07 -3.18 0.75 0.00 0.00 0.00 0.00 23.12 20.62 3idx s ALA 60 CO 0.05 0.08 1.85 -0.44 0.00 0.00 0.00 175.76 177.30 3idx h ASP 61 N 2.23 0.74 -0.51 0.00 3.32 -1.93 -1.32 116.42 118.95 3idx h ASP 61 Ca -0.48 0.05 0.00 0.00 0.02 0.00 0.00 57.03 56.62 3idx h ASP 61 Cb 1.19 -0.09 -0.03 0.00 0.22 0.00 0.00 39.33 40.62 3idx h ASP 61 CO 0.62 0.36 0.34 0.77 -1.72 0.00 0.00 179.24 179.61 3idx h SER 62 N 0.77 0.59 -0.21 6.45 4.64 -1.96 -2.37 113.55 121.46 3idx h SER 62 Ca 0.48 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3idx h SER 62 Cb 0.70 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3idx h SER 62 CO -0.25 0.43 0.00 1.33 -0.87 0.00 0.00 176.83 177.47 3idx n VAL 63 N -4.73 0.26 -1.76 0.95 0.24 -1.06 -4.94 118.33 107.29 3idx n VAL 63 Ca 0.03 -0.55 -0.42 0.00 -2.04 0.00 0.00 64.34 61.35 3idx n VAL 63 Cb 0.02 0.96 -0.03 0.00 -1.47 0.00 0.00 33.84 33.32 3idx n VAL 63 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 3idx s LYS 64 N -1.74 4.15 0.00 7.34 2.20 -0.52 -1.37 119.74 129.80 3idx s LYS 64 Ca 0.34 2.53 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 3idx s LYS 64 Cb 0.21 -3.67 0.00 0.00 -1.51 0.00 0.00 37.83 32.86 3idx s LYS 64 CO 0.30 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.87 3idx n GLY 65 N 4.22 3.37 0.07 5.54 0.00 -1.26 -4.80 105.19 112.32 3idx n GLY 65 Ca 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.12 3idx n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3idx n ARG 66 N -1.79 1.55 -3.89 1.61 1.74 -0.77 -5.02 116.66 110.09 3idx n ARG 66 Ca 0.00 0.01 -0.26 0.00 -0.77 0.00 0.00 57.85 56.83 3idx n ARG 66 Cb 0.00 -1.34 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 3idx n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3idx s PHE 67 N -2.33 3.48 -0.03 -1.55 2.99 -0.47 -1.63 117.98 118.44 3idx s PHE 67 Ca -0.10 0.15 -0.01 0.00 0.00 0.00 0.00 56.93 56.97 3idx s PHE 67 Cb 0.04 -1.70 0.02 0.00 0.00 0.00 0.00 43.02 41.39 3idx s PHE 67 CO 0.52 0.48 0.06 0.45 -0.00 0.00 0.00 175.22 176.73 3idx s SER 68 N -3.30 -0.02 0.01 1.36 0.15 -0.26 -4.93 113.70 106.71 3idx s SER 68 Ca 0.35 0.11 0.07 0.00 0.70 0.00 0.00 55.95 57.18 3idx s SER 68 Cb -0.11 0.05 -0.03 0.00 -1.71 0.00 0.00 66.02 64.22 3idx s SER 68 CO 0.29 -0.08 -0.19 -0.51 1.20 0.00 0.00 173.24 173.95 3idx s ILE 69 N 0.62 2.69 0.22 6.45 2.07 -1.26 -1.55 121.20 130.44 3idx s ILE 69 Ca -0.05 -1.08 -0.22 0.00 -1.41 0.00 0.00 60.65 57.89 3idx s ILE 69 Cb -0.07 -2.08 0.04 0.00 0.13 0.00 0.00 42.46 40.48 3idx s ILE 69 CO -0.02 0.44 0.75 -0.94 -1.91 0.00 0.00 174.94 173.26 3idx s SER 70 N -1.13 -0.30 0.07 4.50 1.04 -1.06 -5.03 113.70 111.79 3idx s SER 70 Ca 0.13 -0.44 -0.02 0.00 0.48 0.00 0.00 55.95 56.10 3idx s SER 70 Cb -0.10 0.65 -0.03 0.00 0.10 0.00 0.00 66.02 66.63 3idx s SER 70 CO 0.03 -1.17 0.02 0.00 0.98 0.00 0.00 173.24 173.11 3idx s ARG 71 N -3.74 0.72 -0.43 4.02 1.70 -1.26 -0.42 118.95 119.54 3idx s ARG 71 Ca 0.09 -1.23 0.02 0.00 -0.47 0.00 0.00 55.73 54.14 3idx s ARG 71 Cb -0.04 0.24 0.13 0.00 -0.57 0.00 0.00 34.95 34.71 3idx s ARG 71 CO 0.02 -0.17 0.21 0.34 -1.08 0.00 0.00 175.30 174.62 3idx s ASP 72 N -2.94 3.85 0.22 -2.89 2.15 -0.07 -4.98 116.67 112.02 3idx s ASP 72 Ca 0.11 -2.52 0.19 0.00 0.43 0.00 0.00 52.55 50.76 3idx s ASP 72 Cb 0.07 -1.13 0.90 0.00 -0.30 0.00 0.00 42.92 42.47 3idx s ASP 72 CO -0.07 -0.29 1.59 0.59 -0.17 0.00 0.00 175.17 176.82 3idx n ASN 73 N 3.70 0.49 0.10 -0.34 3.02 -1.26 -1.03 115.26 119.93 3idx n ASN 73 Ca 0.06 0.66 -0.16 0.00 -0.03 0.00 0.00 54.58 55.11 3idx n ASN 73 Cb 0.35 -0.75 -0.12 0.00 -0.61 0.00 0.00 39.78 38.66 3idx n ASN 73 CO 0.00 0.00 0.00 0.28 -2.62 0.00 0.00 177.26 174.92 3idx h SER 74 N 0.00 0.47 -0.45 6.41 0.02 -1.94 -3.29 113.55 114.77 3idx h SER 74 Ca 0.00 -0.48 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 3idx h SER 74 Cb 0.20 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.59 3idx h SER 74 CO 0.00 1.35 0.00 0.29 -1.14 0.00 0.00 176.83 177.33 3idx n LYS 75 N -3.59 2.77 -3.48 3.45 5.02 -0.84 -4.98 118.16 116.51 3idx n LYS 75 Ca -0.09 -2.20 -0.25 0.00 -2.02 0.00 0.00 58.31 53.75 3idx n LYS 75 Cb 0.99 -1.35 0.01 0.00 -0.02 0.00 0.00 35.03 34.66 3idx n LYS 75 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3idx n ASN 76 N 0.85 -4.56 -4.35 4.39 4.13 -0.20 -4.83 115.26 110.69 3idx n ASN 76 Ca 0.15 -0.50 -0.27 0.00 1.68 0.00 0.00 54.58 55.64 3idx n ASN 76 Cb 0.48 -3.71 -0.13 0.00 -1.54 0.00 0.00 39.78 34.89 3idx n ASN 76 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 3idx s THR 77 N -3.10 2.05 -0.07 3.41 -4.23 -1.02 -1.55 115.64 111.12 3idx s THR 77 Ca 0.47 -1.70 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 3idx s THR 77 Cb -0.24 -1.84 -0.02 0.00 1.34 0.00 0.00 72.50 71.74 3idx s THR 77 CO 0.58 0.01 -0.15 -0.22 -0.54 0.00 0.00 174.62 174.29 3idx s LEU 78 N -2.06 2.64 0.13 4.79 2.96 -0.70 -0.89 118.68 125.55 3idx s LEU 78 Ca 0.12 -0.27 0.10 0.00 -0.22 0.00 0.00 54.13 53.85 3idx s LEU 78 Cb -0.10 -1.54 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 3idx s LEU 78 CO 0.06 0.28 -0.22 -0.31 -1.32 0.00 0.00 176.35 174.84 3idx s TYR 79 N -0.36 2.42 -0.05 5.38 2.02 0.43 -0.59 117.35 126.61 3idx s TYR 79 Ca 0.03 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 3idx s TYR 79 Cb -0.12 -1.28 0.03 0.00 -0.40 0.00 0.00 41.96 40.18 3idx s TYR 79 CO 0.02 0.38 0.04 -1.17 -1.57 0.00 0.00 175.55 173.26 3idx s LEU 80 N -2.19 0.28 -0.17 -1.29 2.96 -0.05 -2.58 118.68 115.64 3idx s LEU 80 Ca 0.17 0.03 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 3idx s LEU 80 Cb -0.10 -0.22 -0.02 0.00 0.50 0.00 0.00 46.19 46.35 3idx s LEU 80 CO 0.09 -0.23 -0.04 -1.83 -1.32 0.00 0.00 176.35 173.01 3idx s GLU 81 N 2.09 3.59 -0.11 1.98 -1.05 -0.60 -0.35 118.70 124.25 3idx s GLU 81 Ca 0.05 -0.55 0.02 0.00 -0.15 0.00 0.00 54.97 54.33 3idx s GLU 81 Cb -0.12 -2.93 -0.01 0.00 -0.44 0.00 0.00 34.13 30.62 3idx s GLU 81 CO -0.04 0.13 -0.17 -1.64 0.95 0.00 0.00 175.26 174.49 3idx s MET 82 N 0.66 3.17 0.25 -4.83 -1.94 0.40 -1.11 119.30 115.90 3idx s MET 82 Ca -0.02 -0.75 0.12 0.00 -1.71 0.00 0.00 55.69 53.32 3idx s MET 82 Cb -0.14 -2.50 -0.05 0.00 2.01 0.00 0.00 34.83 34.15 3idx s MET 82 CO 0.02 0.25 -0.20 -0.80 -0.01 0.00 0.00 175.02 174.29 3idx s ASN 82 N 0.22 3.61 -1.31 3.03 0.01 -0.65 -1.79 114.94 118.06 3idx s ASN 82 Ca -0.11 -0.94 -0.07 0.00 -0.71 0.00 0.00 52.86 51.04 3idx s ASN 82 Cb -0.16 -0.33 -0.00 0.00 0.41 0.00 0.00 41.25 41.17 3idx s ASN 82 CO 0.06 0.07 0.56 -1.20 -1.51 0.00 0.00 177.10 175.08 3idx n SER 82 N -0.31 -1.89 -4.77 -1.22 7.64 -1.16 -4.77 113.62 107.14 3idx n SER 82 Ca -0.08 -0.99 -0.41 0.00 1.01 0.00 0.00 58.87 58.40 3idx n SER 82 Cb 0.58 -3.26 -0.02 0.00 -1.01 0.00 0.00 64.21 60.51 3idx n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3idx s LEU 82 N -6.80 4.42 0.48 -3.43 1.43 -1.12 -4.64 118.68 109.02 3idx s LEU 82 Ca 0.14 2.70 0.05 0.00 -1.03 0.00 0.00 54.13 56.00 3idx s LEU 82 Cb -0.05 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.51 3idx s LEU 82 CO 0.87 -0.58 0.24 -0.13 0.23 0.00 0.00 176.35 176.99 3idx s ARG 83 N -1.60 2.24 0.32 1.70 0.52 -1.26 -0.92 118.95 119.96 3idx s ARG 83 Ca 0.51 -2.01 0.01 0.00 -0.52 0.00 0.00 55.73 53.72 3idx s ARG 83 Cb -0.40 -1.96 0.55 0.00 0.52 0.00 0.00 34.95 33.66 3idx s ARG 83 CO 0.52 -0.36 1.93 0.00 0.02 0.00 0.00 175.30 177.41 3idx h ALA 84 N 1.13 1.41 -0.13 2.13 0.00 -1.97 -2.14 119.26 119.70 3idx h ALA 84 Ca -0.41 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.43 3idx h ALA 84 Cb 1.28 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 3idx h ALA 84 CO 0.65 0.47 0.11 1.05 0.00 0.00 0.00 179.25 181.53 3idx h GLU 85 N 0.80 0.00 0.00 0.00 4.11 -1.95 -2.24 114.58 115.30 3idx h GLU 85 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3idx h GLU 85 Cb 0.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3idx h GLU 85 CO -0.03 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.80 3idx n ASP 86 N -4.17 0.04 -4.65 3.06 8.00 -0.80 -4.77 116.55 113.26 3idx n ASP 86 Ca 0.00 0.51 -0.43 0.00 0.71 0.00 0.00 54.79 55.58 3idx n ASP 86 Cb 0.23 -0.52 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3idx n ASP 86 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 3idx n THR 87 N -1.54 0.67 -3.61 -3.53 -1.04 -0.85 -4.91 114.28 99.47 3idx n THR 87 Ca 0.05 -0.20 0.01 0.00 -2.04 0.00 0.00 64.05 61.87 3idx n THR 87 Cb 0.25 -2.34 -0.01 0.00 -1.82 0.00 0.00 70.33 66.41 3idx n THR 87 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3idx s ALA 88 N 5.26 -2.26 0.08 2.41 0.00 -0.74 -4.47 121.76 122.04 3idx s ALA 88 Ca 0.92 0.86 -0.30 0.00 0.00 0.00 0.00 51.96 53.44 3idx s ALA 88 Cb -0.43 0.27 -0.05 0.00 0.00 0.00 0.00 23.12 22.90 3idx s ALA 88 CO 0.41 -0.99 1.03 0.08 0.00 0.00 0.00 175.76 176.29 3idx s VAL 89 N -2.36 4.43 -0.22 0.00 1.01 -0.94 -1.08 120.40 121.25 3idx s VAL 89 Ca 0.14 1.89 -0.03 0.00 0.00 0.00 0.00 61.98 63.97 3idx s VAL 89 Cb 0.04 -4.21 -0.00 0.00 0.00 0.00 0.00 36.38 32.21 3idx s VAL 89 CO -0.04 0.23 -0.06 -0.31 0.00 0.00 0.00 175.10 174.92 3idx s TYR 90 N 0.45 2.94 -0.14 5.22 1.51 -0.33 -1.09 117.35 125.91 3idx s TYR 90 Ca 0.51 -1.02 -0.06 0.00 -1.01 0.00 0.00 57.07 55.49 3idx s TYR 90 Cb -0.25 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.48 3idx s TYR 90 CO 0.30 -0.58 0.09 0.71 -1.11 0.00 0.00 175.55 174.96 3idx s TYR 91 N 1.46 3.38 0.14 2.71 2.02 0.14 -1.73 117.35 125.46 3idx s TYR 91 Ca 0.06 0.29 -0.10 0.00 -0.37 0.00 0.00 57.07 56.95 3idx s TYR 91 Cb -0.14 -1.98 -0.06 0.00 -0.40 0.00 0.00 41.96 39.38 3idx s TYR 91 CO -0.04 0.44 0.46 0.00 -1.57 0.00 0.00 175.55 174.84 3idx s ALA 93 N -1.54 -0.68 -0.13 0.00 0.00 -0.59 -1.28 121.76 117.54 3idx s ALA 93 Ca 0.38 0.92 -0.25 0.00 0.00 0.00 0.00 51.96 53.02 3idx s ALA 93 Cb -0.13 -0.56 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 3idx s ALA 93 CO 0.20 -0.16 0.78 0.50 0.00 0.00 0.00 175.76 177.08 3idx s ARG 94 N 0.63 4.34 0.33 0.00 3.52 -0.44 -0.39 118.95 126.94 3idx s ARG 94 Ca -0.04 0.96 -0.29 0.00 -0.13 0.00 0.00 55.73 56.23 3idx s ARG 94 Cb -0.05 -3.53 -0.10 0.00 -1.56 0.00 0.00 34.95 29.70 3idx s ARG 94 CO -0.04 -0.19 1.29 0.34 -0.81 0.00 0.00 175.30 175.90 3idx s ASP 95 N 1.05 6.80 0.69 -2.12 2.15 -0.93 -0.93 116.67 123.39 3idx s ASP 95 Ca 0.38 2.66 -0.17 0.00 0.43 0.00 0.00 52.55 55.86 3idx s ASP 95 Cb -0.17 -2.65 0.00 0.00 -0.30 0.00 0.00 42.92 39.81 3idx s ASP 95 CO 0.15 -0.51 1.11 -0.38 -0.17 0.00 0.00 175.17 175.37 3idx n ILE 96 N 0.81 3.60 -0.00 4.11 5.41 -0.44 -4.68 119.36 128.17 3idx n ILE 96 Ca -0.00 -0.41 0.00 0.00 1.00 0.00 0.00 62.75 63.34 3idx n ILE 96 Cb 0.42 -1.26 0.00 0.00 -0.71 0.00 0.00 39.64 38.09 3idx n ILE 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3idx n GLY 97 N 0.99 -2.21 3.48 7.39 0.00 -1.26 -4.63 105.19 108.95 3idx n GLY 97 Ca 0.14 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.34 3idx n GLY 97 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3idx s LEU 98 N 0.00 4.53 0.42 0.99 2.96 -1.26 -4.84 118.68 121.48 3idx s LEU 98 Ca 0.00 -0.65 -0.07 0.00 -0.22 0.00 0.00 54.13 53.19 3idx s LEU 98 Cb 0.00 -2.63 -0.05 0.00 0.50 0.00 0.00 46.19 44.01 3idx s LEU 98 CO 0.00 -1.08 0.75 -0.54 -1.32 0.00 0.00 176.35 174.15 3idx s LYS 99 N 3.33 3.64 0.15 1.98 -0.14 -1.26 -4.96 119.74 122.49 3idx s LYS 99 Ca 0.23 0.27 0.13 0.00 -1.36 0.00 0.00 55.97 55.23 3idx s LYS 99 Cb -0.16 -2.42 0.64 0.00 -1.68 0.00 0.00 37.83 34.21 3idx s LYS 99 CO 0.15 -0.08 1.40 0.41 -0.76 0.00 0.00 175.35 176.47 3idx n GLY 100 N -1.72 -0.81 0.06 -3.33 0.00 -1.26 -1.65 105.19 96.49 3idx n GLY 100 Ca 0.01 0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.23 3idx n GLY 100 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3idx n GLU 100 N -1.87 0.22 -2.08 1.61 4.71 -1.26 -4.84 120.64 117.12 3idx n GLU 100 Ca 0.00 0.11 -0.30 0.00 -0.01 0.00 0.00 57.16 56.97 3idx n GLU 100 Cb 0.07 -1.69 0.01 0.00 -1.01 0.00 0.00 31.44 28.82 3idx n GLU 100 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 3idx s HIS 100 N -3.11 3.55 0.00 -0.32 3.76 -0.66 -5.01 115.29 113.50 3idx s HIS 100 Ca 0.09 1.10 0.13 0.00 -0.15 0.00 0.00 55.06 56.23 3idx s HIS 100 Cb 0.14 -2.67 0.21 0.00 1.11 0.00 0.00 32.58 31.37 3idx s HIS 100 CO 0.66 -0.67 1.07 0.66 -0.85 0.00 0.00 174.74 175.60 3idx n TYR 100 N -2.66 0.00 -3.60 1.40 4.01 -1.26 -4.97 117.16 110.08 3idx n TYR 100 Ca 0.05 -0.48 -0.12 0.00 -0.16 0.00 0.00 57.90 57.19 3idx n TYR 100 Cb 0.55 0.17 -0.05 0.00 -0.31 0.00 0.00 39.34 39.69 3idx n TYR 100 CO 0.00 0.00 0.00 0.34 -0.46 0.00 0.00 176.86 176.74 3idx s ASP 100 N -1.46 -0.34 -0.38 7.72 -1.08 -1.26 -5.13 116.67 114.73 3idx s ASP 100 Ca 0.17 -0.04 -0.19 0.00 -0.52 0.00 0.00 52.55 51.96 3idx s ASP 100 Cb 0.19 0.48 0.01 0.00 -1.46 0.00 0.00 42.92 42.14 3idx s ASP 100 CO -0.08 -0.77 0.56 -0.63 0.52 0.00 0.00 175.17 174.76 3idx s ILE 100 N -2.99 4.96 0.29 4.11 -1.09 -1.26 -5.05 121.20 120.17 3idx s ILE 100 Ca -0.02 0.22 0.11 0.00 -2.23 0.00 0.00 60.65 58.73 3idx s ILE 100 Cb 0.00 -4.06 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 3idx s ILE 100 CO -0.06 -0.36 -0.17 -0.76 -1.23 0.00 0.00 174.94 172.36 3idx s LEU 100 N 2.52 2.62 0.45 2.97 1.43 -1.26 -5.04 118.68 122.37 3idx s LEU 100 Ca 0.20 -1.07 0.16 0.00 -1.03 0.00 0.00 54.13 52.39 3idx s LEU 100 Cb -0.15 -1.05 1.03 0.00 0.03 0.00 0.00 46.19 46.05 3idx s LEU 100 CO 0.15 -0.03 1.97 0.74 0.23 0.00 0.00 176.35 179.41 3idx h THR 100 N 2.23 1.06 -3.13 5.49 2.02 -2.06 -3.45 112.91 115.08 3idx h THR 100 Ca -0.40 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 65.99 3idx h THR 100 Cb 1.26 1.40 -0.15 0.00 -1.74 0.00 0.00 68.15 68.92 3idx h THR 100 CO 0.63 0.20 -0.05 0.00 0.37 0.00 0.00 175.52 176.67 3idx s ALA 100 N -4.48 -1.07 0.00 6.16 0.00 -1.26 -5.05 121.76 116.06 3idx s ALA 100 Ca -0.04 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.15 3idx s ALA 100 Cb 0.15 0.53 0.00 0.00 0.00 0.00 0.00 23.12 23.80 3idx s ALA 100 CO 0.68 -0.56 0.90 0.66 0.00 0.00 0.00 175.76 177.44 3idx n TYR 100 N 0.14 0.00 0.00 0.00 4.02 -1.26 -5.11 117.16 114.94 3idx n TYR 100 Ca -0.17 -0.40 0.00 0.00 -0.01 0.00 0.00 57.90 57.31 3idx n TYR 100 Cb 0.62 -0.04 0.00 0.00 -0.02 0.00 0.00 39.34 39.90 3idx n TYR 100 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3idx n GLY 100 N -0.40 -2.56 3.73 2.72 0.00 -1.26 -4.61 105.19 102.79 3idx n GLY 100 Ca 0.00 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.39 3idx n GLY 100 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3idx s PRO 100 N -4.63 2.29 0.00 1.61 0.02 -1.26 -1.33 135.00 131.70 3idx s PRO 100 Ca 0.00 1.76 0.00 0.00 0.02 0.00 0.00 61.00 62.78 3idx s PRO 100 Cb 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.67 3idx s PRO 100 CO 0.00 -1.72 0.00 -0.40 -0.33 0.00 0.00 177.00 174.55 3idx n ASP 101 N -2.54 2.17 -4.69 2.53 5.68 -0.10 -4.68 116.55 114.91 3idx n ASP 101 Ca 0.13 0.00 -0.34 0.00 -0.50 0.00 0.00 54.79 54.09 3idx n ASP 101 Cb 0.50 0.00 -0.09 0.00 -1.14 0.00 0.00 41.12 40.39 3idx n ASP 101 CO 0.00 0.00 0.00 -0.31 -1.33 0.00 0.00 177.20 175.56 3idx s TYR 102 N -1.87 3.13 0.11 2.11 1.51 -1.24 -4.99 117.35 116.12 3idx s TYR 102 Ca 0.00 0.14 0.07 0.00 -1.01 0.00 0.00 57.07 56.27 3idx s TYR 102 Cb 0.00 -1.72 -0.04 0.00 -0.11 0.00 0.00 41.96 40.09 3idx s TYR 102 CO 0.00 0.47 -0.18 -1.58 -1.11 0.00 0.00 175.55 173.16 3idx s TRP 103 N -1.02 1.60 0.76 2.71 0.52 -1.26 -1.33 118.94 120.92 3idx s TRP 103 Ca 0.17 -0.47 -0.10 0.00 0.02 0.00 0.00 56.10 55.73 3idx s TRP 103 Cb -0.11 -0.85 0.07 0.00 -1.15 0.00 0.00 33.47 31.42 3idx s TRP 103 CO 0.07 0.19 1.10 0.20 0.02 0.00 0.00 176.95 178.54 3idx s GLY 104 N -2.16 1.63 0.49 0.98 0.00 -0.40 -4.74 107.32 103.12 3idx s GLY 104 Ca 0.07 -0.74 0.30 0.00 0.00 0.00 0.00 44.72 44.35 3idx s GLY 104 CO 0.04 -0.30 1.86 1.46 0.00 0.00 0.00 173.10 176.16 3idx h GLN 105 N -0.83 0.00 0.00 2.90 1.08 -1.91 -3.45 115.11 112.90 3idx h GLN 105 Ca -0.45 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 56.75 3idx h GLN 105 Cb 1.32 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.75 3idx h GLN 105 CO 0.63 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 178.92 3idx n GLY 106 N 0.34 2.35 2.87 3.46 0.00 -1.26 -5.01 105.19 107.94 3idx n GLY 106 Ca 0.02 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.93 3idx n GLY 106 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3idx s ALA 107 N -2.83 0.86 0.06 4.61 0.00 -0.70 -4.80 121.76 118.96 3idx s ALA 107 Ca 0.00 -0.21 -0.30 0.00 0.00 0.00 0.00 51.96 51.45 3idx s ALA 107 Cb 0.00 -0.64 -0.05 0.00 0.00 0.00 0.00 23.12 22.44 3idx s ALA 107 CO 0.00 -0.22 1.06 -1.17 0.00 0.00 0.00 175.76 175.43 3idx s LEU 108 N 1.39 4.41 -0.21 0.00 2.96 -1.26 -1.19 118.68 124.77 3idx s LEU 108 Ca -0.03 1.85 0.01 0.00 -0.22 0.00 0.00 54.13 55.74 3idx s LEU 108 Cb -0.13 -3.58 0.03 0.00 0.50 0.00 0.00 46.19 43.01 3idx s LEU 108 CO -0.03 -0.29 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.87 3idx s VAL 109 N 0.69 2.20 -0.35 1.68 1.01 -0.24 -1.44 120.40 123.95 3idx s VAL 109 Ca 0.53 -1.14 -0.07 0.00 0.00 0.00 0.00 61.98 61.30 3idx s VAL 109 Cb -0.25 -2.06 0.04 0.00 0.00 0.00 0.00 36.38 34.11 3idx s VAL 109 CO 0.30 0.34 0.12 -0.89 0.00 0.00 0.00 175.10 174.97 3idx s THR 110 N 1.24 3.88 -0.44 3.92 2.01 0.95 -1.80 115.64 125.41 3idx s THR 110 Ca 0.01 -1.11 -0.26 0.00 0.31 0.00 0.00 61.69 60.63 3idx s THR 110 Cb -0.15 -3.20 0.02 0.00 0.01 0.00 0.00 72.50 69.18 3idx s THR 110 CO -0.10 -0.20 0.95 -0.69 -0.69 0.00 0.00 174.62 173.90 3idx s VAL 111 N 1.42 4.46 0.02 3.82 1.01 -1.26 -1.35 120.40 128.52 3idx s VAL 111 Ca -0.01 0.92 -0.28 0.00 0.00 0.00 0.00 61.98 62.61 3idx s VAL 111 Cb -0.20 -4.43 0.09 0.00 0.00 0.00 0.00 36.38 31.84 3idx s VAL 111 CO 0.03 -0.79 0.74 -0.55 0.00 0.00 0.00 175.10 174.54 3idx s SER 112 N 2.20 -0.52 0.07 3.32 0.15 -0.88 -4.82 113.70 113.21 3idx s SER 112 Ca 0.39 0.25 0.11 0.00 0.70 0.00 0.00 55.95 57.40 3idx s SER 112 Cb -0.10 0.49 -0.18 0.00 -1.71 0.00 0.00 66.02 64.52 3idx s SER 112 CO 0.25 -0.70 1.01 0.28 1.20 0.00 0.00 173.24 175.28 3idx h SER 113 N 2.35 0.00 -3.35 5.45 0.02 -1.94 -3.16 113.55 112.92 3idx h SER 113 Ca -0.27 0.00 -0.54 0.00 -0.84 0.00 0.00 61.79 60.14 3idx h SER 113 Cb 1.23 0.00 0.20 0.00 0.14 0.00 0.00 62.40 63.97 3idx h SER 113 CO 0.36 0.91 -0.47 0.00 -1.14 0.00 0.00 176.83 176.48 3idx n ALA 114 N -2.42 -2.07 -2.51 3.77 0.00 -1.26 -4.98 120.51 111.05 3idx n ALA 114 Ca -0.07 -0.45 -0.25 0.00 0.00 0.00 0.00 53.44 52.67 3idx n ALA 114 Cb 0.95 -1.83 -0.01 0.00 0.00 0.00 0.00 19.45 18.56 3idx n ALA 114 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3idx s SER 115 N -1.79 6.29 -0.27 0.00 0.01 -1.26 -4.99 113.70 111.69 3idx s SER 115 Ca 0.61 0.64 -0.25 0.00 1.31 0.00 0.00 55.95 58.26 3idx s SER 115 Cb -0.27 -2.12 -0.00 0.00 0.21 0.00 0.00 66.02 63.84 3idx s SER 115 CO 0.63 -0.40 0.84 -0.89 0.41 0.00 0.00 173.24 173.83 3idx s THR 116 N -2.47 4.80 -0.02 1.44 2.01 -1.26 -4.77 115.64 115.37 3idx s THR 116 Ca 0.43 1.46 0.08 0.00 0.31 0.00 0.00 61.69 63.97 3idx s THR 116 Cb -0.10 -4.15 -0.02 0.00 0.01 0.00 0.00 72.50 68.24 3idx s THR 116 CO 0.39 -0.16 -0.25 -0.75 -0.69 0.00 0.00 174.62 173.16 3idx s LYS 117 N 2.94 2.13 0.31 4.92 2.20 -0.58 -4.97 119.74 126.69 3idx s LYS 117 Ca 0.35 -0.92 -0.17 0.00 -0.36 0.00 0.00 55.97 54.87 3idx s LYS 117 Cb -0.15 -2.06 -0.09 0.00 -1.51 0.00 0.00 37.83 34.02 3idx s LYS 117 CO 0.09 0.56 0.75 0.20 -0.36 0.00 0.00 175.35 176.60 3idx s GLY 118 N -0.65 2.41 1.08 5.54 0.00 -1.26 -1.44 107.32 113.00 3idx s GLY 118 Ca 0.10 0.10 -0.12 0.00 0.00 0.00 0.00 44.72 44.80 3idx s GLY 118 CO -0.01 0.35 1.06 -4.14 0.00 0.00 0.00 173.10 170.36 3idx s PRO 119 N -2.75 -0.26 -0.06 2.90 0.02 -1.26 -4.63 135.00 128.96 3idx s PRO 119 Ca 0.52 0.77 0.04 0.00 0.02 0.00 0.00 61.00 62.35 3idx s PRO 119 Cb -0.12 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.77 3idx s PRO 119 CO 0.18 -3.26 -0.18 -1.12 -0.33 0.00 0.00 177.00 172.29 3idx s SER 120 N -2.89 2.34 -0.51 2.53 0.01 -0.53 -4.95 113.70 109.70 3idx s SER 120 Ca 0.67 -0.40 -0.06 0.00 1.31 0.00 0.00 55.95 57.47 3idx s SER 120 Cb -0.22 -0.83 0.13 0.00 0.21 0.00 0.00 66.02 65.31 3idx s SER 120 CO 0.61 0.14 0.35 -0.69 0.41 0.00 0.00 173.24 174.06 3idx s VAL 121 N 0.22 3.93 0.20 3.43 1.01 -1.26 -1.50 120.40 126.42 3idx s VAL 121 Ca -0.09 -2.16 -0.09 0.00 0.00 0.00 0.00 61.98 59.64 3idx s VAL 121 Cb -0.14 -3.59 -0.07 0.00 0.00 0.00 0.00 36.38 32.58 3idx s VAL 121 CO 0.04 -0.79 0.50 -0.36 0.00 0.00 0.00 175.10 174.49 3idx s PHE 122 N 0.92 3.46 0.63 5.22 0.40 -0.86 -4.91 117.98 122.84 3idx s PHE 122 Ca 0.10 0.81 -0.09 0.00 -0.60 0.00 0.00 56.93 57.14 3idx s PHE 122 Cb -0.23 -2.20 0.00 0.00 0.51 0.00 0.00 43.02 41.10 3idx s PHE 122 CO -0.03 0.33 0.99 -2.14 0.70 0.00 0.00 175.22 175.07 3idx s PRO 123 N -2.68 3.04 -0.37 0.24 0.02 -1.26 -0.44 135.00 133.56 3idx s PRO 123 Ca 0.44 0.31 0.01 0.00 0.02 0.00 0.00 61.00 61.79 3idx s PRO 123 Cb -0.12 -2.15 0.11 0.00 0.02 0.00 0.00 34.50 32.36 3idx s PRO 123 CO 0.22 -0.78 0.15 -0.51 -0.33 0.00 0.00 177.00 175.75 3idx s LEU 124 N -5.15 2.83 0.68 -5.54 1.43 0.56 -4.73 118.68 108.76 3idx s LEU 124 Ca 0.55 -2.11 -0.13 0.00 -1.03 0.00 0.00 54.13 51.42 3idx s LEU 124 Cb -0.11 -1.06 0.01 0.00 0.03 0.00 0.00 46.19 45.06 3idx s LEU 124 CO 0.49 -0.35 1.07 0.00 0.23 0.00 0.00 176.35 177.79 3idx s ALA 125 N 1.00 2.56 0.71 4.21 0.00 -1.26 -1.79 121.76 127.19 3idx s ALA 125 Ca 0.13 0.29 -0.11 0.00 0.00 0.00 0.00 51.96 52.27 3idx s ALA 125 Cb -0.20 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.70 3idx s ALA 125 CO -0.13 -1.25 1.07 -2.14 0.00 0.00 0.00 175.76 173.31 3idx s PRO 126 N -4.59 2.76 0.10 0.00 0.02 -1.26 -4.83 135.00 127.19 3idx s PRO 126 Ca 0.62 1.05 0.02 0.00 0.02 0.00 0.00 61.00 62.70 3idx s PRO 126 Cb -0.16 -1.96 -0.04 0.00 0.02 0.00 0.00 34.50 32.35 3idx s PRO 126 CO 0.48 -1.24 -0.07 -1.54 -0.33 0.00 0.00 177.00 174.29 3idx s SER 127 N -3.58 1.23 -0.18 2.53 1.04 -1.26 -4.43 113.70 109.05 3idx s SER 127 Ca 0.60 -0.96 -0.29 0.00 0.48 0.00 0.00 55.95 55.77 3idx s SER 127 Cb -0.15 0.07 -0.04 0.00 0.10 0.00 0.00 66.02 66.00 3idx s SER 127 CO 0.54 -0.42 1.79 -0.44 0.98 0.00 0.00 173.24 175.69 3idx s SER 128 N -2.93 6.21 0.00 7.02 0.01 -1.26 -5.00 113.70 117.75 3idx s SER 128 Ca 0.11 1.84 0.00 0.00 1.31 0.00 0.00 55.95 59.21 3idx s SER 128 Cb 0.03 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.74 3idx s SER 128 CO -0.03 -1.36 0.00 0.41 0.41 0.00 0.00 173.24 172.66 3idx n THR 131 N 6.53 0.00 0.01 1.44 -1.04 -1.26 -5.02 114.28 114.94 3idx n THR 131 Ca 0.21 0.00 0.07 0.00 -2.04 0.00 0.00 64.05 62.29 3idx n THR 131 Cb 0.45 0.00 -0.12 0.00 -1.82 0.00 0.00 70.33 68.84 3idx n THR 131 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 3idx n SER 132 N 0.00 0.32 -1.38 8.00 2.88 -1.26 -3.69 113.62 118.48 3idx n SER 132 Ca 0.00 0.13 0.08 0.00 -1.33 0.00 0.00 58.87 57.75 3idx n SER 132 Cb 0.00 1.25 0.32 0.00 -0.75 0.00 0.00 64.21 65.03 3idx n SER 132 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3idx n GLY 133 N 1.32 3.12 0.71 0.46 0.00 -1.26 -4.65 105.19 104.89 3idx n GLY 133 Ca -0.08 -0.86 -0.02 0.00 0.00 0.00 0.00 46.02 45.07 3idx n GLY 133 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3idx n GLY 134 N 0.56 -0.14 3.01 -0.02 0.00 -1.26 -4.79 105.19 102.55 3idx n GLY 134 Ca 0.24 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 46.00 3idx n GLY 134 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3idx s THR 135 N -1.67 0.77 0.33 2.61 -4.23 -1.24 -2.61 115.64 109.59 3idx s THR 135 Ca -0.05 -0.37 0.09 0.00 -1.18 0.00 0.00 61.69 60.18 3idx s THR 135 Cb 0.01 -0.68 -0.05 0.00 1.34 0.00 0.00 72.50 73.12 3idx s THR 135 CO 0.07 0.24 0.08 0.00 -0.54 0.00 0.00 174.62 174.47 3idx s ALA 136 N 0.10 3.36 -0.04 3.99 0.00 0.63 -4.71 121.76 125.09 3idx s ALA 136 Ca -0.02 -1.86 0.01 0.00 0.00 0.00 0.00 51.96 50.09 3idx s ALA 136 Cb -0.07 -0.61 0.03 0.00 0.00 0.00 0.00 23.12 22.46 3idx s ALA 136 CO 0.00 0.07 -0.01 0.00 0.00 0.00 0.00 175.76 175.82 3idx s ALA 137 N -2.45 0.45 0.19 0.00 0.00 -1.26 -0.89 121.76 117.81 3idx s ALA 137 Ca 0.36 0.08 -0.01 0.00 0.00 0.00 0.00 51.96 52.39 3idx s ALA 137 Cb -0.02 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.68 3idx s ALA 137 CO 0.21 -0.07 0.12 -0.48 0.00 0.00 0.00 175.76 175.54 3idx s LEU 138 N 1.03 1.24 0.00 0.00 0.05 -1.09 -4.48 118.68 115.43 3idx s LEU 138 Ca -0.10 -1.36 0.00 0.00 0.05 0.00 0.00 54.13 52.72 3idx s LEU 138 Cb -0.14 0.37 0.00 0.00 -2.05 0.00 0.00 46.19 44.38 3idx s LEU 138 CO -0.01 -0.82 0.00 0.61 -0.55 0.00 0.00 176.35 175.57 3idx n GLY 139 N -0.25 -1.01 3.26 -3.48 0.00 -0.74 -1.08 105.19 101.90 3idx n GLY 139 Ca 0.01 -0.74 -0.23 0.00 0.00 0.00 0.00 46.02 45.06 3idx n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3idx s LEU 141 N -1.76 4.46 -0.47 0.00 2.96 0.41 -1.07 118.68 123.21 3idx s LEU 141 Ca 0.05 -1.76 -0.23 0.00 -0.22 0.00 0.00 54.13 51.97 3idx s LEU 141 Cb -0.10 -1.70 0.03 0.00 0.50 0.00 0.00 46.19 44.93 3idx s LEU 141 CO 0.03 -0.36 0.81 -0.69 -1.32 0.00 0.00 176.35 174.83 3idx s VAL 142 N 1.10 4.60 0.04 1.68 1.01 -0.39 -2.03 120.40 126.41 3idx s VAL 142 Ca 0.03 0.38 0.07 0.00 0.00 0.00 0.00 61.98 62.46 3idx s VAL 142 Cb -0.20 -4.37 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 3idx s VAL 142 CO -0.05 -0.80 -0.20 -0.75 0.00 0.00 0.00 175.10 173.30 3idx s LYS 143 N 3.40 1.39 -0.69 2.72 2.20 -0.56 -0.84 119.74 127.37 3idx s LYS 143 Ca 0.30 -0.92 -0.02 0.00 -0.36 0.00 0.00 55.97 54.97 3idx s LYS 143 Cb -0.12 -1.49 -0.02 0.00 -1.51 0.00 0.00 37.83 34.69 3idx s LYS 143 CO 0.22 0.38 0.63 -0.25 -0.36 0.00 0.00 175.35 175.97 3idx n ASP 144 N 1.90 -6.49 -4.26 1.43 8.00 -0.09 -1.45 116.55 115.59 3idx n ASP 144 Ca -0.17 -0.22 -0.14 0.00 0.71 0.00 0.00 54.79 54.97 3idx n ASP 144 Cb 0.53 -4.50 -0.10 0.00 -0.02 0.00 0.00 41.12 37.03 3idx n ASP 144 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 3idx s TYR 145 N -3.10 1.31 -0.28 1.24 1.13 -1.09 -4.18 117.35 112.38 3idx s TYR 145 Ca 0.12 -1.15 -0.25 0.00 -1.41 0.00 0.00 57.07 54.38 3idx s TYR 145 Cb -0.02 -0.74 0.11 0.00 -1.10 0.00 0.00 41.96 40.22 3idx s TYR 145 CO 0.62 -0.34 0.98 0.12 -2.51 0.00 0.00 175.55 174.42 3idx s PHE 146 N -3.79 -0.53 0.00 -3.49 5.36 -0.52 -0.86 117.98 114.15 3idx s PHE 146 Ca 0.32 1.28 0.00 0.00 -0.96 0.00 0.00 56.93 57.56 3idx s PHE 146 Cb 0.07 0.35 0.00 0.00 -0.34 0.00 0.00 43.02 43.10 3idx s PHE 146 CO 0.09 -0.25 0.00 -0.35 -1.46 0.00 0.00 175.22 173.24 3idx n PRO 147 N 2.32 0.81 -1.23 10.12 -0.04 -1.26 -1.52 135.00 144.20 3idx n PRO 147 Ca -0.13 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.01 3idx n PRO 147 Cb 0.56 0.00 0.11 0.00 -0.04 0.00 0.00 33.50 34.13 3idx n PRO 147 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 3idx s GLU 148 N -2.01 1.91 0.18 0.54 0.41 -1.26 -4.83 118.70 113.65 3idx s GLU 148 Ca 0.00 1.55 0.04 0.00 -0.41 0.00 0.00 54.97 56.15 3idx s GLU 148 Cb 0.00 -1.83 -0.05 0.00 -1.78 0.00 0.00 34.13 30.48 3idx s GLU 148 CO 0.00 -1.96 -0.06 -1.25 -0.49 0.00 0.00 175.26 171.50 3idx s PRO 149 N -4.31 1.17 0.01 0.39 0.04 -1.26 -4.97 135.00 126.06 3idx s PRO 149 Ca 0.69 -1.54 0.02 0.00 0.04 0.00 0.00 61.00 60.21 3idx s PRO 149 Cb -0.24 -0.60 -0.04 0.00 0.04 0.00 0.00 34.50 33.66 3idx s PRO 149 CO 0.50 -0.00 -0.01 0.14 0.04 0.00 0.00 177.00 177.67 3idx s VAL 150 N -3.38 4.03 -0.23 -0.36 -7.23 -1.26 -4.50 120.40 107.47 3idx s VAL 150 Ca 0.21 -0.67 -0.08 0.00 -1.81 0.00 0.00 61.98 59.63 3idx s VAL 150 Cb 0.04 -2.80 -0.04 0.00 0.56 0.00 0.00 36.38 34.14 3idx s VAL 150 CO 0.04 0.36 0.09 -0.89 -0.31 0.00 0.00 175.10 174.39 3idx s THR 151 N -1.08 4.71 -0.09 5.32 2.01 0.78 -4.92 115.64 122.37 3idx s THR 151 Ca 0.19 -0.05 0.03 0.00 0.31 0.00 0.00 61.69 62.18 3idx s THR 151 Cb -0.11 -3.18 -0.01 0.00 0.01 0.00 0.00 72.50 69.20 3idx s THR 151 CO 0.10 0.36 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.51 3idx s VAL 152 N 1.19 2.54 0.17 3.82 1.01 -1.25 -0.16 120.40 127.71 3idx s VAL 152 Ca 0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.14 3idx s VAL 152 Cb -0.14 -2.00 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3idx s VAL 152 CO 0.04 0.55 0.14 -0.94 0.00 0.00 0.00 175.10 174.90 3idx s SER 153 N 0.06 0.18 -0.05 3.32 1.04 -0.34 -4.98 113.70 112.93 3idx s SER 153 Ca -0.08 -1.23 0.05 0.00 0.48 0.00 0.00 55.95 55.17 3idx s SER 153 Cb -0.15 0.37 -0.00 0.00 0.10 0.00 0.00 66.02 66.33 3idx s SER 153 CO 0.05 -0.82 -0.19 0.26 0.98 0.00 0.00 173.24 173.52 3idx s TRP 154 N -4.08 1.94 -1.53 5.02 0.52 -1.26 -0.49 118.94 119.06 3idx s TRP 154 Ca 0.30 -0.60 -0.12 0.00 0.02 0.00 0.00 56.10 55.70 3idx s TRP 154 Cb 0.06 -1.30 0.08 0.00 -1.15 0.00 0.00 33.47 31.16 3idx s TRP 154 CO 0.06 -0.21 0.87 0.09 0.02 0.00 0.00 176.95 177.79 3idx n ASN 155 N 3.17 -3.75 -0.59 2.95 3.02 -0.26 -0.68 115.26 119.13 3idx n ASN 155 Ca -0.18 -0.84 -0.08 0.00 -0.03 0.00 0.00 54.58 53.45 3idx n ASN 155 Cb 0.53 -3.64 -0.03 0.00 -0.61 0.00 0.00 39.78 36.02 3idx n ASN 155 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3idx n SER 156 N -2.84 -4.85 0.00 6.41 7.64 -1.26 -2.12 113.62 116.60 3idx n SER 156 Ca -0.02 0.19 0.00 0.00 1.01 0.00 0.00 58.87 60.05 3idx n SER 156 Cb 0.55 -3.03 0.00 0.00 -1.01 0.00 0.00 64.21 60.72 3idx n SER 156 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3idx n GLY 157 N -0.81 0.82 0.23 0.23 0.00 0.14 -5.02 105.19 100.78 3idx n GLY 157 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.86 3idx n GLY 157 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3idx h ALA 158 N 0.00 -0.62 -2.23 4.61 0.00 -0.72 -3.43 119.26 116.86 3idx h ALA 158 Ca 0.00 -0.12 -0.56 0.00 0.00 0.00 0.00 54.91 54.24 3idx h ALA 158 Cb 0.00 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 3idx h ALA 158 CO 0.00 -0.58 0.94 -1.17 0.00 0.00 0.00 179.25 178.44 3idx s LEU 159 N -8.26 4.25 0.01 0.00 2.96 -1.03 -4.86 118.68 111.76 3idx s LEU 159 Ca -0.08 1.94 0.00 0.00 -0.22 0.00 0.00 54.13 55.78 3idx s LEU 159 Cb 0.01 -3.54 0.00 0.00 0.50 0.00 0.00 46.19 43.16 3idx s LEU 159 CO 0.23 -0.80 0.00 0.35 -1.32 0.00 0.00 176.35 174.82 3idx n THR 160 N 5.24 0.05 -1.71 3.68 -2.24 -1.26 -4.23 114.28 113.81 3idx n THR 160 Ca 0.15 0.02 -0.43 0.00 -2.27 0.00 0.00 64.05 61.52 3idx n THR 160 Cb 0.44 -1.14 -0.03 0.00 -2.10 0.00 0.00 70.33 67.50 3idx n THR 160 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3idx n SER 161 N -2.86 3.93 0.00 3.42 7.64 -1.26 -2.34 113.62 122.15 3idx n SER 161 Ca 0.00 1.04 0.00 0.00 1.01 0.00 0.00 58.87 60.92 3idx n SER 161 Cb 0.30 -1.55 0.00 0.00 -1.01 0.00 0.00 64.21 61.95 3idx n SER 161 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3idx n GLY 162 N 4.01 2.07 3.75 0.23 0.00 -1.26 -4.74 105.19 109.25 3idx n GLY 162 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 3idx n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3idx s VAL 163 N -2.43 3.20 -0.31 1.61 1.01 -0.99 -3.52 120.40 118.97 3idx s VAL 163 Ca 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 61.98 63.04 3idx s VAL 163 Cb 0.00 -3.68 0.10 0.00 0.00 0.00 0.00 36.38 32.80 3idx s VAL 163 CO 0.00 0.20 0.10 -1.00 0.00 0.00 0.00 175.10 174.40 3idx s HIS 164 N -0.39 1.58 -0.24 5.22 3.76 0.30 -4.97 115.29 120.55 3idx s HIS 164 Ca 0.52 -1.66 -0.20 0.00 -0.15 0.00 0.00 55.06 53.57 3idx s HIS 164 Cb -0.36 -1.64 -0.02 0.00 1.11 0.00 0.00 32.58 31.67 3idx s HIS 164 CO 0.42 -0.87 0.61 0.99 -0.85 0.00 0.00 174.74 175.04 3idx s THR 165 N 1.65 5.01 0.38 1.30 2.01 -1.26 -1.96 115.64 122.77 3idx s THR 165 Ca 0.10 1.11 -0.13 0.00 0.31 0.00 0.00 61.69 63.08 3idx s THR 165 Cb -0.17 -3.92 -0.08 0.00 0.01 0.00 0.00 72.50 68.34 3idx s THR 165 CO -0.26 0.06 0.78 -0.36 -0.69 0.00 0.00 174.62 174.15 3idx s PHE 166 N 2.29 3.43 0.43 4.92 0.40 -0.48 -5.02 117.98 123.95 3idx s PHE 166 Ca 0.26 1.15 -0.25 0.00 -0.60 0.00 0.00 56.93 57.49 3idx s PHE 166 Cb -0.16 -2.51 -0.10 0.00 0.51 0.00 0.00 43.02 40.77 3idx s PHE 166 CO 0.09 -0.05 1.21 -2.30 0.70 0.00 0.00 175.22 174.87 3idx n PRO 167 N -0.97 1.76 -2.52 0.24 -0.02 -1.26 -4.58 135.00 127.65 3idx n PRO 167 Ca 0.03 0.63 -0.37 0.00 -2.02 0.00 0.00 63.50 61.77 3idx n PRO 167 Cb 0.54 -2.31 -0.04 0.00 -0.02 0.00 0.00 33.50 31.67 3idx n PRO 167 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3idx s ALA 168 N -1.23 3.13 -0.12 3.55 0.00 -1.26 -4.82 121.76 121.00 3idx s ALA 168 Ca 0.62 0.74 -0.05 0.00 0.00 0.00 0.00 51.96 53.27 3idx s ALA 168 Cb -0.51 -3.29 -0.04 0.00 0.00 0.00 0.00 23.12 19.29 3idx s ALA 168 CO 0.57 -0.23 0.06 0.08 0.00 0.00 0.00 175.76 176.24 3idx s VAL 169 N -1.58 4.82 -0.43 0.00 1.01 0.63 -4.90 120.40 119.96 3idx s VAL 169 Ca 0.56 -0.04 -0.23 0.00 0.00 0.00 0.00 61.98 62.27 3idx s VAL 169 Cb -0.24 -3.09 0.02 0.00 0.00 0.00 0.00 36.38 33.07 3idx s VAL 169 CO 0.30 0.57 0.76 -0.22 0.00 0.00 0.00 175.10 176.51 3idx s LEU 170 N -0.58 4.26 0.82 3.92 2.96 -1.26 -1.39 118.68 127.41 3idx s LEU 170 Ca 0.11 -0.03 -0.12 0.00 -0.22 0.00 0.00 54.13 53.87 3idx s LEU 170 Cb -0.12 -2.94 0.08 0.00 0.50 0.00 0.00 46.19 43.72 3idx s LEU 170 CO 0.02 -0.85 1.11 -1.10 -1.32 0.00 0.00 176.35 174.21 3idx s GLN 171 N 3.17 1.89 0.60 1.98 -0.21 -0.07 -4.92 119.66 122.10 3idx s GLN 171 Ca 0.29 0.56 0.36 0.00 0.02 0.00 0.00 55.36 56.59 3idx s GLN 171 Cb -0.13 -1.90 1.95 0.00 1.00 0.00 0.00 33.01 33.93 3idx s GLN 171 CO 0.21 -1.74 2.23 0.66 -2.12 0.00 0.00 175.29 174.53 3idx h SER 172 N -1.17 0.00 0.10 5.90 4.64 -1.97 -1.63 113.55 119.42 3idx h SER 172 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3idx h SER 172 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 3idx h SER 172 CO 0.60 0.03 0.00 -1.54 -0.87 0.00 0.00 176.83 175.05 3idx n SER 173 N -3.38 0.00 0.00 4.97 3.41 -1.26 -4.85 113.62 112.51 3idx n SER 173 Ca -0.02 -0.65 0.00 0.00 -0.26 0.00 0.00 58.87 57.93 3idx n SER 173 Cb 0.14 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 3idx n SER 173 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3idx n GLY 174 N 0.67 2.55 3.93 5.00 0.00 -0.61 -5.01 105.19 111.72 3idx n GLY 174 Ca 0.18 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.94 3idx n GLY 174 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3idx s LEU 175 N 0.00 4.14 0.42 0.99 1.43 -1.26 -4.82 118.68 119.58 3idx s LEU 175 Ca 0.00 0.43 0.02 0.00 -1.03 0.00 0.00 54.13 53.54 3idx s LEU 175 Cb 0.00 -3.24 -0.01 0.00 0.03 0.00 0.00 46.19 42.98 3idx s LEU 175 CO 0.00 -0.15 0.62 -0.31 0.23 0.00 0.00 176.35 176.74 3idx s TYR 176 N -2.06 3.21 -0.03 0.29 2.02 -0.04 -0.89 117.35 119.85 3idx s TYR 176 Ca 0.39 0.14 -0.15 0.00 -0.37 0.00 0.00 57.07 57.09 3idx s TYR 176 Cb -0.10 -2.23 0.03 0.00 -0.40 0.00 0.00 41.96 39.26 3idx s TYR 176 CO 0.31 -0.26 0.32 -1.12 -1.57 0.00 0.00 175.55 173.23 3idx s SER 177 N -4.20 -0.22 0.29 2.29 0.01 -0.48 -0.91 113.70 110.47 3idx s SER 177 Ca 0.47 0.17 -0.11 0.00 1.31 0.00 0.00 55.95 57.79 3idx s SER 177 Cb -0.10 0.36 0.00 0.00 0.21 0.00 0.00 66.02 66.50 3idx s SER 177 CO 0.36 -0.41 0.51 -1.48 0.41 0.00 0.00 173.24 172.63 3idx s LEU 178 N -1.16 0.45 0.07 2.44 0.05 -0.02 -0.27 118.68 120.25 3idx s LEU 178 Ca -0.12 -1.09 0.05 0.00 0.05 0.00 0.00 54.13 53.03 3idx s LEU 178 Cb -0.05 1.82 -0.03 0.00 -2.05 0.00 0.00 46.19 45.89 3idx s LEU 178 CO 0.04 -1.24 -0.15 -0.44 -0.55 0.00 0.00 176.35 174.01 3idx s SER 179 N -3.08 1.78 -0.07 1.48 0.01 -1.26 -1.27 113.70 111.29 3idx s SER 179 Ca 0.24 -0.60 0.01 0.00 1.31 0.00 0.00 55.95 56.90 3idx s SER 179 Cb -0.01 -0.07 0.02 0.00 0.21 0.00 0.00 66.02 66.17 3idx s SER 179 CO 0.12 -0.04 -0.08 -0.55 0.41 0.00 0.00 173.24 173.10 3idx s SER 180 N -1.68 1.66 0.07 2.44 0.15 -0.24 -1.38 113.70 114.72 3idx s SER 180 Ca -0.00 -0.24 0.05 0.00 0.70 0.00 0.00 55.95 56.46 3idx s SER 180 Cb -0.10 -0.70 -0.03 0.00 -1.71 0.00 0.00 66.02 63.48 3idx s SER 180 CO 0.02 -0.05 -0.14 0.68 1.20 0.00 0.00 173.24 174.95 3idx s VAL 181 N 1.12 1.10 -0.03 4.45 -7.23 -0.83 -0.44 120.40 118.55 3idx s VAL 181 Ca -0.07 -1.26 -0.01 0.00 -1.81 0.00 0.00 61.98 58.83 3idx s VAL 181 Cb -0.14 -1.06 0.02 0.00 0.56 0.00 0.00 36.38 35.77 3idx s VAL 181 CO -0.01 -0.20 0.07 0.54 -0.31 0.00 0.00 175.10 175.19 3idx s VAL 182 N -1.22 -0.04 -0.12 1.32 0.11 -0.24 0.11 120.40 120.33 3idx s VAL 182 Ca -0.02 0.14 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 3idx s VAL 182 Cb -0.10 -0.13 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 3idx s VAL 182 CO 0.02 0.06 0.50 0.42 -3.33 0.00 0.00 175.10 172.77 3idx s THR 183 N 0.78 5.17 0.03 5.04 -4.23 -1.23 -2.67 115.64 118.54 3idx s THR 183 Ca -0.06 1.00 0.02 0.00 -1.18 0.00 0.00 61.69 61.46 3idx s THR 183 Cb -0.09 -3.84 -0.02 0.00 1.34 0.00 0.00 72.50 69.90 3idx s THR 183 CO -0.03 0.31 -0.07 0.68 -0.54 0.00 0.00 174.62 174.97 3idx s VAL 184 N 0.69 0.53 0.29 2.29 -7.23 -0.06 -4.81 120.40 112.10 3idx s VAL 184 Ca 0.27 -0.93 -0.29 0.00 -1.81 0.00 0.00 61.98 59.22 3idx s VAL 184 Cb -0.15 -0.57 -0.14 0.00 0.56 0.00 0.00 36.38 36.08 3idx s VAL 184 CO 0.11 -0.29 1.12 -2.65 -0.31 0.00 0.00 175.10 173.08 3idx n PRO 185 N 1.72 1.58 -0.18 4.82 -0.02 -1.26 -0.27 135.00 141.39 3idx n PRO 185 Ca -0.21 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.83 3idx n PRO 185 Cb 0.55 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 3idx n PRO 185 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3idx n SER 186 N 1.23 3.37 0.00 2.55 3.41 -1.07 -2.43 113.62 120.68 3idx n SER 186 Ca 0.09 -1.89 0.00 0.00 -0.26 0.00 0.00 58.87 56.80 3idx n SER 186 Cb 0.32 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.63 3idx n SER 186 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3idx n SER 187 N 1.02 0.00 -0.24 4.04 3.41 -1.26 -4.83 113.62 115.76 3idx n SER 187 Ca 0.00 -1.00 0.05 0.00 -0.26 0.00 0.00 58.87 57.66 3idx n SER 187 Cb 0.42 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 64.36 3idx n SER 187 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3idx n SER 188 N 0.00 1.26 -4.80 4.04 3.41 -1.02 -5.00 113.62 111.51 3idx n SER 188 Ca 0.00 -1.13 -0.32 0.00 -0.26 0.00 0.00 58.87 57.16 3idx n SER 188 Cb 0.47 0.49 0.04 0.00 -0.26 0.00 0.00 64.21 64.95 3idx n SER 188 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3idx s LEU 189 N -1.72 3.33 0.00 1.04 1.43 -1.26 -2.39 118.68 119.11 3idx s LEU 189 Ca 0.09 1.79 0.00 0.00 -1.03 0.00 0.00 54.13 54.98 3idx s LEU 189 Cb 0.09 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.78 3idx s LEU 189 CO 0.29 -1.41 0.00 0.61 0.23 0.00 0.00 176.35 176.07 3idx n GLY 190 N -1.20 2.98 0.00 -3.19 0.00 -1.26 -4.60 105.19 97.92 3idx n GLY 190 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 3idx n GLY 190 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3idx n THR 191 N -2.00 0.00 -4.05 2.61 -2.24 -1.22 -4.97 114.28 102.41 3idx n THR 191 Ca 0.00 -0.44 -0.32 0.00 -2.27 0.00 0.00 64.05 61.02 3idx n THR 191 Cb 0.00 1.02 -0.16 0.00 -2.10 0.00 0.00 70.33 69.10 3idx n THR 191 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 3idx s GLN 192 N -0.70 2.35 -0.11 -0.78 2.00 -1.01 -5.10 119.66 116.32 3idx s GLN 192 Ca 0.00 -0.96 -0.30 0.00 -2.00 0.00 0.00 55.36 52.11 3idx s GLN 192 Cb 0.00 -2.56 -0.01 0.00 0.80 0.00 0.00 33.01 31.23 3idx s GLN 192 CO 0.00 -0.40 1.07 0.99 -0.50 0.00 0.00 175.29 176.45 3idx s THR 193 N 1.30 4.63 -0.70 -0.34 2.01 -1.26 -4.87 115.64 116.39 3idx s THR 193 Ca -0.01 1.92 -0.07 0.00 0.31 0.00 0.00 61.69 63.83 3idx s THR 193 Cb -0.16 -4.23 0.18 0.00 0.01 0.00 0.00 72.50 68.30 3idx s THR 193 CO -0.09 -0.02 0.57 -0.31 -0.69 0.00 0.00 174.62 174.08 3idx s TYR 194 N 2.23 3.54 0.39 4.92 2.02 -1.26 -4.81 117.35 124.38 3idx s TYR 194 Ca 0.50 -2.46 -0.25 0.00 -0.37 0.00 0.00 57.07 54.50 3idx s TYR 194 Cb -0.20 -3.43 -0.09 0.00 -0.40 0.00 0.00 41.96 37.85 3idx s TYR 194 CO 0.18 -0.89 1.05 0.42 -1.57 0.00 0.00 175.55 174.74 3idx s ILE 195 N -0.01 3.70 -0.69 2.71 1.01 -1.26 -3.19 121.20 123.47 3idx s ILE 195 Ca 0.17 1.34 0.05 0.00 0.00 0.00 0.00 60.65 62.22 3idx s ILE 195 Cb -0.16 -3.71 0.17 0.00 0.01 0.00 0.00 42.46 38.76 3idx s ILE 195 CO -0.05 0.05 0.49 0.00 0.00 0.00 0.00 174.94 175.42 3idx s ASN 197 N -1.39 5.17 -0.04 0.00 -0.87 0.36 -3.10 114.94 115.07 3idx s ASN 197 Ca 0.25 -0.45 -0.14 0.00 -1.57 0.00 0.00 52.86 50.95 3idx s ASN 197 Cb -0.04 -2.55 -0.05 0.00 -0.02 0.00 0.00 41.25 38.58 3idx s ASN 197 CO -0.17 -2.66 0.37 -0.69 -2.57 0.00 0.00 177.10 171.38 3idx s VAL 198 N 9.85 5.13 -0.15 1.60 1.01 0.29 -1.20 120.40 136.94 3idx s VAL 198 Ca 0.69 0.74 -0.04 0.00 0.00 0.00 0.00 61.98 63.37 3idx s VAL 198 Cb -0.08 -3.67 0.07 0.00 0.00 0.00 0.00 36.38 32.70 3idx s VAL 198 CO 0.04 0.55 0.18 0.21 0.00 0.00 0.00 175.10 176.08 3idx s ASN 199 N -0.80 1.18 -0.57 3.32 3.84 0.77 -1.09 114.94 121.59 3idx s ASN 199 Ca 0.22 0.01 0.02 0.00 0.21 0.00 0.00 52.86 53.31 3idx s ASN 199 Cb -0.16 0.28 0.14 0.00 -0.55 0.00 0.00 41.25 40.97 3idx s ASN 199 CO 0.11 -0.29 0.35 -2.28 -2.79 0.00 0.00 177.10 172.19 3idx s HIS 200 N 2.29 3.29 0.21 0.43 5.65 0.70 -0.15 115.29 127.71 3idx s HIS 200 Ca 0.04 -3.03 -0.09 0.00 0.25 0.00 0.00 55.06 52.24 3idx s HIS 200 Cb -0.14 -2.96 0.24 0.00 -1.18 0.00 0.00 32.58 28.55 3idx s HIS 200 CO -0.09 -0.77 1.81 0.87 -0.65 0.00 0.00 174.74 175.92 3idx h LYS 201 N 6.61 0.70 -0.04 2.88 1.57 -1.79 -1.80 116.57 124.70 3idx h LYS 201 Ca -0.04 -0.04 0.01 0.00 -1.87 0.00 0.00 60.65 58.71 3idx h LYS 201 Cb 0.90 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 33.05 3idx h LYS 201 CO 0.70 0.46 0.34 -1.35 -0.57 0.00 0.00 179.45 179.04 3idx h PRO 202 N 0.72 0.00 0.00 3.15 0.11 -1.92 0.74 132.00 134.81 3idx h PRO 202 Ca 0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.41 3idx h PRO 202 Cb 0.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.28 3idx h PRO 202 CO -0.17 0.00 -0.15 -1.13 -0.21 0.00 0.00 178.00 176.34 3idx n SER 203 N -2.98 1.49 -1.18 -2.05 3.41 -1.04 -4.99 113.62 106.28 3idx n SER 203 Ca -0.01 -2.53 -0.15 0.00 -0.26 0.00 0.00 58.87 55.92 3idx n SER 203 Cb 0.40 -0.29 -0.06 0.00 -0.26 0.00 0.00 64.21 64.00 3idx n SER 203 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3idx n ASN 204 N -0.83 -5.28 -4.62 4.04 3.02 0.25 -4.88 115.26 106.96 3idx n ASN 204 Ca 0.09 0.37 -0.43 0.00 -0.03 0.00 0.00 54.58 54.58 3idx n ASN 204 Cb 0.61 -4.28 -0.03 0.00 -0.61 0.00 0.00 39.78 35.47 3idx n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3idx s THR 205 N -2.24 4.54 -0.14 3.41 2.01 -0.72 -4.97 115.64 117.54 3idx s THR 205 Ca 0.00 1.42 0.01 0.00 0.31 0.00 0.00 61.69 63.43 3idx s THR 205 Cb 0.00 -4.37 0.02 0.00 0.01 0.00 0.00 72.50 68.16 3idx s THR 205 CO 0.00 -0.53 -0.16 -0.75 -0.69 0.00 0.00 174.62 172.49 3idx s LYS 206 N 3.58 2.49 -0.02 4.92 2.20 -1.26 -0.21 119.74 131.43 3idx s LYS 206 Ca 0.41 -0.64 0.03 0.00 -0.36 0.00 0.00 55.97 55.41 3idx s LYS 206 Cb -0.12 -2.17 -0.00 0.00 -1.51 0.00 0.00 37.83 34.03 3idx s LYS 206 CO 0.18 -0.16 -0.11 0.08 -0.36 0.00 0.00 175.35 174.98 3idx s VAL 207 N 1.23 0.87 -0.30 4.02 1.01 -0.25 -5.03 120.40 121.97 3idx s VAL 207 Ca 0.00 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.56 3idx s VAL 207 Cb -0.14 -0.75 0.08 0.00 0.00 0.00 0.00 36.38 35.58 3idx s VAL 207 CO -0.07 0.26 0.01 -1.81 0.00 0.00 0.00 175.10 173.48 3idx s ASP 208 N -0.09 4.34 0.41 3.32 1.11 -1.26 -0.55 116.67 123.96 3idx s ASP 208 Ca 0.01 -1.70 0.04 0.00 0.18 0.00 0.00 52.55 51.08 3idx s ASP 208 Cb -0.06 -1.35 0.00 0.00 1.07 0.00 0.00 42.92 42.58 3idx s ASP 208 CO 0.00 -0.33 0.59 -0.75 1.18 0.00 0.00 175.17 175.86 3idx s LYS 209 N 1.20 3.00 -0.10 8.23 2.47 -1.18 -4.82 119.74 128.54 3idx s LYS 209 Ca 0.04 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.65 3idx s LYS 209 Cb -0.19 -2.68 0.01 0.00 -1.46 0.00 0.00 37.83 33.52 3idx s LYS 209 CO -0.11 -0.19 -0.15 0.21 0.16 0.00 0.00 175.35 175.27 3idx s LYS 210 N -4.40 2.16 -0.40 4.03 2.20 -1.26 -1.18 119.74 120.89 3idx s LYS 210 Ca 0.49 -0.55 -0.16 0.00 -0.36 0.00 0.00 55.97 55.39 3idx s LYS 210 Cb -0.10 -1.81 0.01 0.00 -1.51 0.00 0.00 37.83 34.43 3idx s LYS 210 CO 0.35 -0.02 0.38 0.00 -0.36 0.00 0.00 175.35 175.70 3idx s ALA 211 N 0.86 3.46 0.01 3.13 0.00 -1.19 -4.98 121.76 123.04 3idx s ALA 211 Ca -0.10 -1.50 0.04 0.00 0.00 0.00 0.00 51.96 50.41 3idx s ALA 211 Cb -0.15 -2.95 -0.01 0.00 0.00 0.00 0.00 23.12 20.00 3idx s ALA 211 CO 0.01 -1.43 -0.14 -2.00 0.00 0.00 0.00 175.76 172.19 3idx s GLU 212 N 1.99 1.05 0.57 0.00 2.12 -1.26 -4.71 118.70 118.46 3idx s GLU 212 Ca 0.10 -0.59 -0.20 0.00 0.36 0.00 0.00 54.97 54.64 3idx s GLU 212 Cb -0.17 -1.03 -0.05 0.00 0.26 0.00 0.00 34.13 33.14 3idx s GLU 212 CO 0.12 0.27 1.12 -2.30 -0.54 0.00 0.00 175.26 173.94 3idx n PRO 213 N 2.44 1.19 -2.98 4.30 -0.02 -1.26 -4.53 135.00 134.13 3idx n PRO 213 Ca -0.15 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.44 3idx n PRO 213 Cb 0.55 -2.31 -0.06 0.00 -0.02 0.00 0.00 33.50 31.65 3idx n PRO 213 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3idx s LYS 214 N -2.80 4.16 -0.29 -0.52 2.20 -1.26 -4.97 119.74 116.26 3idx s LYS 214 Ca 0.74 0.91 -0.18 0.00 -0.36 0.00 0.00 55.97 57.09 3idx s LYS 214 Cb -0.43 -2.40 0.13 0.00 -1.51 0.00 0.00 37.83 33.62 3idx s LYS 214 CO 0.48 0.11 0.94 0.45 -0.36 0.00 0.00 175.35 176.97 3idx s SER 215 N -2.14 -0.57 0.00 1.43 0.15 -1.26 -5.11 113.70 106.21 3idx s SER 215 Ca 0.56 0.94 0.00 0.00 0.70 0.00 0.00 55.95 58.15 3idx s SER 215 Cb -0.11 1.18 0.00 0.00 -1.71 0.00 0.00 66.02 65.39 3idx s SER 215 CO 0.16 -0.15 0.00 0.00 1.20 0.00 0.00 173.24 174.45