#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3k s VAL 2 N 0.00 3.44 -0.03 3.84 1.01 -1.26 -4.11 120.40 123.28 1s3k s VAL 2 Ca 0.00 0.99 0.02 0.00 0.00 0.00 0.00 61.98 62.99 1s3k s VAL 2 Cb 0.00 -3.63 0.01 0.00 0.00 0.00 0.00 36.38 32.75 1s3k s VAL 2 CO 0.00 0.05 -0.09 -1.10 0.00 0.00 0.00 175.10 173.96 1s3k s GLN 3 N 1.47 1.04 -0.07 2.72 -0.21 -0.25 -5.00 119.66 119.37 1s3k s GLN 3 Ca 0.64 -0.30 0.01 0.00 0.02 0.00 0.00 55.36 55.73 1s3k s GLN 3 Cb -0.35 -0.96 0.02 0.00 1.00 0.00 0.00 33.01 32.72 1s3k s GLN 3 CO 0.29 0.09 -0.06 -0.51 -2.12 0.00 0.00 175.29 172.98 1s3k s LEU 4 N 0.30 1.23 -0.17 2.90 1.43 -1.26 -1.83 118.68 121.28 1s3k s LEU 4 Ca -0.05 -0.20 -0.01 0.00 -1.03 0.00 0.00 54.13 52.84 1s3k s LEU 4 Cb -0.10 -0.62 0.05 0.00 0.03 0.00 0.00 46.19 45.54 1s3k s LEU 4 CO 0.01 -0.08 -0.03 -0.69 0.23 0.00 0.00 176.35 175.79 1s3k s VAL 5 N 1.24 0.97 0.32 -1.59 1.01 -0.29 -3.96 120.40 118.11 1s3k s VAL 5 Ca -0.05 -0.64 -0.09 0.00 0.00 0.00 0.00 61.98 61.20 1s3k s VAL 5 Cb -0.14 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.94 1s3k s VAL 5 CO -0.02 0.03 0.66 -1.61 0.00 0.00 0.00 175.10 174.15 1s3k s GLU 6 N 1.68 3.77 0.23 2.72 8.01 -1.26 -1.05 118.70 132.80 1s3k s GLU 6 Ca -0.00 0.32 -0.16 0.00 0.01 0.00 0.00 54.97 55.14 1s3k s GLU 6 Cb -0.16 -2.52 0.01 0.00 -4.31 0.00 0.00 34.13 27.15 1s3k s GLU 6 CO -0.07 0.14 0.54 -1.54 0.01 0.00 0.00 175.26 174.33 1s3k s SER 7 N -2.87 -0.19 0.00 -0.19 1.04 0.28 -4.75 113.70 107.02 1s3k s SER 7 Ca 0.49 -0.68 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1s3k s SER 7 Cb -0.11 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.62 1s3k s SER 7 CO 0.27 -1.14 0.00 0.61 0.98 0.00 0.00 173.24 173.96 1s3k n GLY 8 N -0.37 0.64 3.76 7.32 0.00 -1.26 -1.06 105.19 114.21 1s3k n GLY 8 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 1s3k n GLY 8 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1s3k s GLY 9 N -2.09 2.86 0.03 -0.02 0.00 -1.26 -4.70 107.32 102.14 1s3k s GLY 9 Ca 0.00 1.22 -0.04 0.00 0.00 0.00 0.00 44.72 45.90 1s3k s GLY 9 CO 0.00 1.74 0.19 0.61 0.00 0.00 0.00 173.10 175.64 1s3k n GLY 10 N 0.62 1.10 3.64 0.20 0.00 -0.78 -4.86 105.19 105.11 1s3k n GLY 10 Ca 0.08 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.78 1s3k n GLY 10 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3k s VAL 11 N -2.43 5.31 0.04 1.61 1.01 -1.26 -1.20 120.40 123.47 1s3k s VAL 11 Ca 0.04 0.29 0.03 0.00 0.00 0.00 0.00 61.98 62.34 1s3k s VAL 11 Cb -0.00 -3.56 -0.02 0.00 0.00 0.00 0.00 36.38 32.80 1s3k s VAL 11 CO 0.01 0.29 -0.10 0.54 0.00 0.00 0.00 175.10 175.84 1s3k s VAL 12 N 1.39 0.74 0.39 2.92 0.11 0.27 -4.98 120.40 121.24 1s3k s VAL 12 Ca 0.10 -0.93 -0.24 0.00 -2.93 0.00 0.00 61.98 57.98 1s3k s VAL 12 Cb -0.15 -0.73 -0.10 0.00 -1.53 0.00 0.00 36.38 33.88 1s3k s VAL 12 CO 0.07 -0.16 1.00 -1.10 -3.33 0.00 0.00 175.10 171.58 1s3k s GLN 13 N -1.21 4.28 0.34 1.54 -0.21 -1.24 -0.60 119.66 122.57 1s3k s GLN 13 Ca -0.04 1.37 -0.27 0.00 0.02 0.00 0.00 55.36 56.44 1s3k s GLN 13 Cb -0.08 -2.52 -0.13 0.00 1.00 0.00 0.00 33.01 31.29 1s3k s GLN 13 CO 0.01 -0.01 1.08 -2.30 -2.12 0.00 0.00 175.29 171.95 1s3k n PRO 14 N -0.05 1.56 0.00 2.91 -0.02 -1.26 -1.51 135.00 136.63 1s3k n PRO 14 Ca 0.05 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1s3k n PRO 14 Cb 0.51 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 1s3k n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3k n GLY 15 N 1.09 2.86 3.20 -1.23 0.00 0.78 -4.91 105.19 106.97 1s3k n GLY 15 Ca 0.08 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.88 1s3k n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3k n ARG 16 N -2.00 -0.72 -4.45 1.61 5.12 -0.57 -3.82 116.66 111.83 1s3k n ARG 16 Ca 0.00 -1.88 -0.25 0.00 -1.93 0.00 0.00 57.85 53.79 1s3k n ARG 16 Cb 0.00 -0.94 -0.10 0.00 -1.16 0.00 0.00 32.46 30.25 1s3k n ARG 16 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 1s3k s SER 17 N -4.81 3.51 -0.07 0.55 0.01 -1.26 -2.11 113.70 109.52 1s3k s SER 17 Ca 0.60 -0.98 -0.09 0.00 1.31 0.00 0.00 55.95 56.79 1s3k s SER 17 Cb -0.02 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.95 1s3k s SER 17 CO 0.41 0.06 0.24 -0.22 0.41 0.00 0.00 173.24 174.13 1s3k s LEU 18 N -3.27 1.11 -0.18 2.44 2.96 0.16 -5.00 118.68 116.91 1s3k s LEU 18 Ca 0.27 0.35 0.01 0.00 -0.22 0.00 0.00 54.13 54.54 1s3k s LEU 18 Cb -0.06 0.86 0.02 0.00 0.50 0.00 0.00 46.19 47.52 1s3k s LEU 18 CO 0.13 -0.17 -0.19 -0.60 -1.32 0.00 0.00 176.35 174.21 1s3k s ARG 19 N -0.25 2.88 0.10 1.98 3.52 -1.26 0.13 118.95 126.05 1s3k s ARG 19 Ca -0.04 -0.79 -0.01 0.00 -0.13 0.00 0.00 55.73 54.76 1s3k s ARG 19 Cb -0.03 -2.50 -0.04 0.00 -1.56 0.00 0.00 34.95 30.82 1s3k s ARG 19 CO 0.01 -0.22 0.27 -0.51 -0.81 0.00 0.00 175.30 174.05 1s3k s LEU 20 N 1.32 4.32 0.10 -0.88 1.43 0.41 -4.63 118.68 120.75 1s3k s LEU 20 Ca 0.05 0.35 0.05 0.00 -1.03 0.00 0.00 54.13 53.54 1s3k s LEU 20 Cb -0.13 -3.06 -0.03 0.00 0.03 0.00 0.00 46.19 43.00 1s3k s LEU 20 CO -0.13 0.11 -0.13 -0.44 0.23 0.00 0.00 176.35 176.00 1s3k s SER 21 N -2.63 1.73 -0.18 2.29 0.01 -0.23 -1.28 113.70 113.41 1s3k s SER 21 Ca 0.37 -0.76 -0.05 0.00 1.31 0.00 0.00 55.95 56.82 1s3k s SER 21 Cb -0.12 -0.04 0.06 0.00 0.21 0.00 0.00 66.02 66.13 1s3k s SER 21 CO 0.27 -0.17 0.08 0.00 0.41 0.00 0.00 173.24 173.84 1s3k s SER 23 N 2.09 6.87 0.24 0.00 0.01 -0.21 -1.13 113.70 121.56 1s3k s SER 23 Ca 0.02 1.03 0.09 0.00 1.31 0.00 0.00 55.95 58.40 1s3k s SER 23 Cb -0.16 -2.32 -0.05 0.00 0.21 0.00 0.00 66.02 63.70 1s3k s SER 23 CO -0.10 0.12 -0.14 0.42 0.41 0.00 0.00 173.24 173.95 1s3k s THR 24 N -0.16 1.94 0.09 1.44 -4.23 -0.47 -1.13 115.64 113.11 1s3k s THR 24 Ca 0.28 -2.25 -0.26 0.00 -1.18 0.00 0.00 61.69 58.28 1s3k s THR 24 Cb -0.17 -2.19 0.08 0.00 1.34 0.00 0.00 72.50 71.56 1s3k s THR 24 CO 0.15 -0.49 0.76 -0.94 -0.54 0.00 0.00 174.62 173.56 1s3k s SER 25 N -3.40 -0.43 0.00 3.99 1.04 -0.76 -4.87 113.70 109.27 1s3k s SER 25 Ca 0.26 -0.05 0.00 0.00 0.48 0.00 0.00 55.95 56.64 1s3k s SER 25 Cb -0.01 0.50 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1s3k s SER 25 CO 0.10 -0.82 0.00 0.61 0.98 0.00 0.00 173.24 174.11 1s3k n GLY 26 N -0.33 0.73 3.65 7.32 0.00 -1.26 -1.08 105.19 114.22 1s3k n GLY 26 Ca -0.12 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 1s3k n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1s3k s PHE 27 N -2.78 -0.08 -0.91 1.61 -0.71 -1.26 -4.39 117.98 109.47 1s3k s PHE 27 Ca 0.00 -0.30 -0.23 0.00 -1.04 0.00 0.00 56.93 55.35 1s3k s PHE 27 Cb 0.00 0.48 0.06 0.00 -1.21 0.00 0.00 43.02 42.35 1s3k s PHE 27 CO 0.00 -1.05 1.33 0.99 -1.34 0.00 0.00 175.22 175.15 1s3k s THR 28 N -3.91 4.00 0.27 -4.49 2.01 -1.26 -4.87 115.64 107.39 1s3k s THR 28 Ca 0.12 -0.54 -0.00 0.00 0.31 0.00 0.00 61.69 61.58 1s3k s THR 28 Cb -0.03 -4.96 0.26 0.00 0.01 0.00 0.00 72.50 67.78 1s3k s THR 28 CO 0.02 -1.83 1.71 0.15 -0.69 0.00 0.00 174.62 173.98 1s3k h PHE 29 N 9.72 0.55 0.00 4.92 3.57 -1.95 -0.74 116.94 133.01 1s3k h PHE 29 Ca 0.03 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.57 1s3k h PHE 29 Cb 1.03 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.65 1s3k h PHE 29 CO 1.20 -0.01 0.00 -1.13 -2.23 0.00 0.00 178.31 176.14 1s3k n SER 30 N -5.05 0.00 0.01 0.41 3.41 -1.26 -2.23 113.62 108.91 1s3k n SER 30 Ca 0.18 0.21 0.11 0.00 -0.26 0.00 0.00 58.87 59.11 1s3k n SER 30 Cb 0.54 -0.33 -0.03 0.00 -0.26 0.00 0.00 64.21 64.13 1s3k n SER 30 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1s3k n ASP 31 N -1.33 0.71 -4.50 4.04 8.00 -0.28 -4.63 116.55 118.56 1s3k n ASP 31 Ca 0.05 -0.57 -0.32 0.00 0.71 0.00 0.00 54.79 54.66 1s3k n ASP 31 Cb 0.10 0.93 -0.12 0.00 -0.02 0.00 0.00 41.12 42.00 1s3k n ASP 31 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1s3k s TYR 32 N -3.11 2.70 0.47 1.24 1.51 -0.95 -4.87 117.35 114.35 1s3k s TYR 32 Ca 0.06 -0.16 -0.22 0.00 -1.01 0.00 0.00 57.07 55.74 1s3k s TYR 32 Cb 0.16 -1.57 -0.08 0.00 -0.11 0.00 0.00 41.96 40.36 1s3k s TYR 32 CO 0.83 0.26 1.08 0.71 -1.11 0.00 0.00 175.55 177.32 1s3k s TYR 33 N -0.86 2.98 0.19 2.71 1.51 -1.26 -3.85 117.35 118.76 1s3k s TYR 33 Ca 0.14 1.58 0.09 0.00 -1.01 0.00 0.00 57.07 57.86 1s3k s TYR 33 Cb -0.11 -3.18 -0.04 0.00 -0.11 0.00 0.00 41.96 38.52 1s3k s TYR 33 CO 0.04 -1.05 -0.17 -1.64 -1.11 0.00 0.00 175.55 171.62 1s3k s MET 34 N -2.96 1.32 0.14 -0.62 -1.94 -0.60 -4.45 119.30 110.20 1s3k s MET 34 Ca 0.65 -1.49 0.02 0.00 -1.71 0.00 0.00 55.69 53.16 1s3k s MET 34 Cb -0.21 -1.30 -0.04 0.00 2.01 0.00 0.00 34.83 35.28 1s3k s MET 34 CO 0.26 0.25 -0.04 0.71 -0.01 0.00 0.00 175.02 176.19 1s3k s TYR 35 N -2.36 1.09 -0.03 -0.03 2.02 -0.21 -1.58 117.35 116.24 1s3k s TYR 35 Ca 0.19 -0.95 0.04 0.00 -0.37 0.00 0.00 57.07 55.98 1s3k s TYR 35 Cb -0.04 -0.61 -0.00 0.00 -0.40 0.00 0.00 41.96 40.90 1s3k s TYR 35 CO 0.07 -0.15 -0.15 -1.58 -1.57 0.00 0.00 175.55 172.17 1s3k s TRP 36 N -3.61 1.46 0.01 2.71 0.52 -0.83 -1.02 118.94 118.19 1s3k s TRP 36 Ca 0.18 -0.37 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1s3k s TRP 36 Cb 0.05 -0.98 -0.01 0.00 -1.15 0.00 0.00 33.47 31.38 1s3k s TRP 36 CO 0.00 -0.11 -0.05 0.08 0.02 0.00 0.00 176.95 176.89 1s3k s VAL 37 N -0.04 0.36 0.28 4.03 1.01 0.64 -1.17 120.40 125.50 1s3k s VAL 37 Ca -0.01 -0.51 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1s3k s VAL 37 Cb -0.09 -0.36 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 1s3k s VAL 37 CO 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 175.10 174.99 1s3k s ARG 38 N -0.66 1.51 -0.19 2.72 1.70 -0.33 0.13 118.95 123.82 1s3k s ARG 38 Ca -0.04 -1.79 -0.04 0.00 -0.47 0.00 0.00 55.73 53.40 1s3k s ARG 38 Cb -0.05 -0.91 0.10 0.00 -0.57 0.00 0.00 34.95 33.52 1s3k s ARG 38 CO -0.00 -0.07 0.28 -1.14 -1.08 0.00 0.00 175.30 173.29 1s3k s GLN 39 N -3.82 0.23 0.65 3.89 0.74 -0.26 -1.28 119.66 119.82 1s3k s GLN 39 Ca 0.31 0.46 -0.15 0.00 0.05 0.00 0.00 55.36 56.03 1s3k s GLN 39 Cb 0.06 -0.67 -0.00 0.00 1.10 0.00 0.00 33.01 33.50 1s3k s GLN 39 CO 0.12 -0.54 1.11 0.00 -0.55 0.00 0.00 175.29 175.42 1s3k s ALA 40 N 2.42 2.49 -0.03 1.58 0.00 -1.26 -1.24 121.76 125.72 1s3k s ALA 40 Ca 0.07 0.55 -0.36 0.00 0.00 0.00 0.00 51.96 52.22 1s3k s ALA 40 Cb -0.15 -3.32 -0.14 0.00 0.00 0.00 0.00 23.12 19.51 1s3k s ALA 40 CO -0.12 -1.24 1.66 -2.30 0.00 0.00 0.00 175.76 173.75 1s3k n PRO 41 N -2.37 1.70 -0.96 0.00 -0.02 -1.26 -1.11 135.00 130.99 1s3k n PRO 41 Ca 0.10 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.20 1s3k n PRO 41 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1s3k n PRO 41 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1s3k n GLY 42 N 3.70 0.20 2.15 -1.23 0.00 -1.26 -4.98 105.19 103.77 1s3k n GLY 42 Ca 0.21 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.08 1s3k n GLY 42 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s3k n LYS 43 N -0.65 1.07 -0.30 1.61 4.76 -0.26 -5.15 118.16 119.23 1s3k n LYS 43 Ca 0.00 -1.97 0.00 0.00 -2.87 0.00 0.00 58.31 53.47 1s3k n LYS 43 Cb 0.28 0.26 0.00 0.00 -1.84 0.00 0.00 35.03 33.73 1s3k n LYS 43 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1s3k n GLY 44 N 1.28 -0.11 3.84 0.72 0.00 -1.26 -4.67 105.19 105.00 1s3k n GLY 44 Ca -0.03 -1.82 -0.34 0.00 0.00 0.00 0.00 46.02 43.84 1s3k n GLY 44 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3k s LEU 45 N 0.00 4.22 -0.07 0.99 1.43 -1.26 -4.11 118.68 119.88 1s3k s LEU 45 Ca 0.00 1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.26 1s3k s LEU 45 Cb 0.00 -3.69 0.04 0.00 0.03 0.00 0.00 46.19 42.57 1s3k s LEU 45 CO 0.00 -0.05 0.14 -0.70 0.23 0.00 0.00 176.35 175.97 1s3k s GLU 46 N -2.46 0.03 0.16 1.70 2.12 -0.40 -5.01 118.70 114.85 1s3k s GLU 46 Ca 0.46 0.47 -0.31 0.00 0.36 0.00 0.00 54.97 55.96 1s3k s GLU 46 Cb -0.13 -0.27 -0.09 0.00 0.26 0.00 0.00 34.13 33.89 1s3k s GLU 46 CO 0.19 -0.27 1.46 -0.46 -0.54 0.00 0.00 175.26 175.64 1s3k s TRP 47 N 1.93 3.14 -0.18 5.30 -0.00 -1.26 -1.19 118.94 126.68 1s3k s TRP 47 Ca -0.00 0.87 0.04 0.00 -0.00 0.00 0.00 56.10 57.01 1s3k s TRP 47 Cb -0.12 -3.79 -0.14 0.00 -0.00 0.00 0.00 33.47 29.42 1s3k s TRP 47 CO -0.05 -2.76 -0.12 0.28 -0.00 0.00 0.00 176.95 174.29 1s3k n VAL 48 N 3.55 1.09 -3.62 5.86 0.31 -0.32 -4.61 118.33 120.60 1s3k n VAL 48 Ca 0.11 -0.47 -0.02 0.00 -0.01 0.00 0.00 64.34 63.95 1s3k n VAL 48 Cb 0.41 -1.06 -0.01 0.00 -0.91 0.00 0.00 33.84 32.27 1s3k n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1s3k s ALA 49 N -2.38 -2.05 0.03 3.52 0.00 -1.03 -4.06 121.76 115.79 1s3k s ALA 49 Ca -0.22 0.95 -0.09 0.00 0.00 0.00 0.00 51.96 52.60 1s3k s ALA 49 Cb 0.06 0.25 0.00 0.00 0.00 0.00 0.00 23.12 23.43 1s3k s ALA 49 CO 0.48 -0.86 0.20 1.52 0.00 0.00 0.00 175.76 177.10 1s3k s TYR 50 N -2.62 0.04 -0.10 0.00 -0.85 -1.07 -1.96 117.35 110.78 1s3k s TYR 50 Ca 0.11 -0.24 -0.08 0.00 -0.52 0.00 0.00 57.07 56.35 1s3k s TYR 50 Cb 0.01 -0.02 0.04 0.00 0.38 0.00 0.00 41.96 42.36 1s3k s TYR 50 CO -0.04 -0.42 0.26 1.41 -1.52 0.00 0.00 175.55 175.25 1s3k s MET 51 N -2.42 0.27 0.95 -3.49 1.75 -0.62 -3.03 119.30 112.72 1s3k s MET 51 Ca -0.06 0.45 -0.11 0.00 -1.25 0.00 0.00 55.69 54.72 1s3k s MET 51 Cb -0.02 0.04 0.16 0.00 2.84 0.00 0.00 34.83 37.85 1s3k s MET 51 CO -0.03 -0.09 1.12 -1.54 -0.65 0.00 0.00 175.02 173.82 1s3k s SER 52 N 0.63 2.70 0.27 1.11 1.04 0.24 -1.55 113.70 118.14 1s3k s SER 52 Ca -0.04 2.00 0.02 0.00 0.48 0.00 0.00 55.95 58.41 1s3k s SER 52 Cb -0.05 -2.50 0.38 0.00 0.10 0.00 0.00 66.02 63.94 1s3k s SER 52 CO -0.04 -3.21 1.69 -0.55 0.98 0.00 0.00 173.24 172.11 1s3k h ASN 53 N -1.94 0.47 -5.18 7.02 -0.00 -1.86 -3.43 115.58 110.65 1s3k h ASN 53 Ca -0.47 -0.18 -0.10 0.00 -0.00 0.00 0.00 56.30 55.56 1s3k h ASN 53 Cb 1.28 -0.13 -0.14 0.00 -0.00 0.00 0.00 38.32 39.32 1s3k h ASN 53 CO 0.45 0.76 -0.49 0.68 -0.00 0.00 0.00 177.43 178.82 1s3k s VAL 54 N -4.39 0.17 0.00 6.14 -7.23 -1.26 -4.88 120.40 108.95 1s3k s VAL 54 Ca -0.07 -1.41 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 1s3k s VAL 54 Cb 0.13 -1.39 0.00 0.00 0.56 0.00 0.00 36.38 35.68 1s3k s VAL 54 CO 0.79 -0.78 0.00 0.61 -0.31 0.00 0.00 175.10 175.41 1s3k n GLY 55 N 0.04 1.19 3.98 2.32 0.00 -1.26 -4.42 105.19 107.03 1s3k n GLY 55 Ca -0.15 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.62 1s3k n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3k n ALA 56 N -0.30 -2.01 -2.68 4.61 0.00 -1.26 -4.94 120.51 113.93 1s3k n ALA 56 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 53.44 52.76 1s3k n ALA 56 Cb 0.00 -1.42 -0.06 0.00 0.00 0.00 0.00 19.45 17.97 1s3k n ALA 56 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1s3k s ILE 57 N -3.99 5.03 0.21 0.00 -1.09 -1.26 -4.88 121.20 115.22 1s3k s ILE 57 Ca 0.00 1.24 0.00 0.00 -2.23 0.00 0.00 60.65 59.66 1s3k s ILE 57 Cb -0.00 -3.96 -0.05 0.00 -1.58 0.00 0.00 42.46 36.87 1s3k s ILE 57 CO 0.90 0.15 0.09 0.42 -1.23 0.00 0.00 174.94 175.27 1s3k s THR 58 N 1.62 0.33 -0.07 2.92 -4.23 -1.26 -0.59 115.64 114.35 1s3k s THR 58 Ca 0.31 -1.99 -0.29 0.00 -1.18 0.00 0.00 61.69 58.53 1s3k s THR 58 Cb -0.16 -2.46 0.11 0.00 1.34 0.00 0.00 72.50 71.33 1s3k s THR 58 CO 0.12 -0.11 0.91 -0.62 -0.54 0.00 0.00 174.62 174.37 1s3k s ASP 59 N -3.21 -0.40 0.15 3.99 -1.08 -1.17 -5.01 116.67 109.95 1s3k s ASP 59 Ca 0.35 0.24 -0.07 0.00 -0.52 0.00 0.00 52.55 52.55 1s3k s ASP 59 Cb 0.07 0.37 -0.02 0.00 -1.46 0.00 0.00 42.92 41.89 1s3k s ASP 59 CO 0.11 -0.51 0.22 -0.31 0.52 0.00 0.00 175.17 175.20 1s3k s TYR 60 N -2.12 0.52 0.56 -5.34 1.51 -1.26 -2.60 117.35 108.61 1s3k s TYR 60 Ca 0.01 -0.89 -0.12 0.00 -1.01 0.00 0.00 57.07 55.05 1s3k s TYR 60 Cb -0.01 -0.17 -0.06 0.00 -0.11 0.00 0.00 41.96 41.62 1s3k s TYR 60 CO -0.03 -0.66 0.98 -1.25 -1.11 0.00 0.00 175.55 173.47 1s3k s PRO 61 N -3.99 3.73 0.64 -1.71 0.04 -1.26 -4.78 135.00 127.67 1s3k s PRO 61 Ca 0.19 0.76 0.35 0.00 0.04 0.00 0.00 61.00 62.34 1s3k s PRO 61 Cb 0.04 -2.14 1.97 0.00 0.04 0.00 0.00 34.50 34.41 1s3k s PRO 61 CO 0.00 -0.40 2.17 -0.44 0.04 0.00 0.00 177.00 178.38 1s3k h ASP 62 N 0.27 0.00 0.30 6.66 5.19 -1.98 -1.13 116.42 125.73 1s3k h ASP 62 Ca -0.45 0.00 -0.03 0.00 -0.62 0.00 0.00 57.03 55.93 1s3k h ASP 62 Cb 1.19 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.70 1s3k h ASP 62 CO 0.62 0.00 -0.12 0.71 -3.12 0.00 0.00 179.24 177.33 1s3k h THR 63 N 0.00 0.66 0.00 0.35 1.35 -1.99 -3.25 112.91 110.04 1s3k h THR 63 Ca 0.02 -0.50 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1s3k h THR 63 Cb 0.32 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.05 1s3k h THR 63 CO -0.00 0.12 0.00 1.33 -0.25 0.00 0.00 175.52 176.72 1s3k n VAL 64 N -3.78 0.00 -1.70 6.82 0.24 -0.78 -5.00 118.33 114.14 1s3k n VAL 64 Ca -0.02 -0.34 -0.44 0.00 -2.04 0.00 0.00 64.34 61.50 1s3k n VAL 64 Cb 0.22 1.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.62 1s3k n VAL 64 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 1s3k n LYS 65 N -0.56 2.49 0.00 7.34 4.81 -0.50 -0.91 118.16 130.83 1s3k n LYS 65 Ca 0.00 0.90 0.00 0.00 -0.87 0.00 0.00 58.31 58.34 1s3k n LYS 65 Cb 0.01 -2.70 0.00 0.00 0.02 0.00 0.00 35.03 32.36 1s3k n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1s3k n GLY 66 N 3.63 3.35 0.05 3.14 0.00 -1.26 -4.80 105.19 109.30 1s3k n GLY 66 Ca 0.16 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.12 1s3k n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s3k n ARG 67 N -1.60 1.39 -4.08 1.61 1.74 -0.08 -5.02 116.66 110.61 1s3k n ARG 67 Ca 0.00 0.03 -0.34 0.00 -0.77 0.00 0.00 57.85 56.77 1s3k n ARG 67 Cb 0.00 -1.23 -0.07 0.00 -1.02 0.00 0.00 32.46 30.14 1s3k n ARG 67 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1s3k s PHE 68 N -2.22 3.35 -0.10 -1.55 0.40 -0.42 -1.59 117.98 115.85 1s3k s PHE 68 Ca -0.10 0.27 -0.02 0.00 -0.60 0.00 0.00 56.93 56.48 1s3k s PHE 68 Cb 0.03 -1.78 0.03 0.00 0.51 0.00 0.00 43.02 41.81 1s3k s PHE 68 CO 0.31 0.58 0.01 0.99 0.70 0.00 0.00 175.22 177.81 1s3k s THR 69 N -1.15 0.39 0.14 0.64 2.01 -0.07 -4.85 115.64 112.75 1s3k s THR 69 Ca 0.21 -0.01 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 1s3k s THR 69 Cb -0.12 -0.63 -0.07 0.00 0.01 0.00 0.00 72.50 71.70 1s3k s THR 69 CO 0.12 0.16 0.56 -0.51 -0.69 0.00 0.00 174.62 174.25 1s3k s ILE 70 N 1.96 4.82 0.26 1.82 2.07 -1.26 -0.62 121.20 130.25 1s3k s ILE 70 Ca 0.04 0.91 -0.13 0.00 -1.41 0.00 0.00 60.65 60.06 1s3k s ILE 70 Cb -0.13 -3.77 0.00 0.00 0.13 0.00 0.00 42.46 38.69 1s3k s ILE 70 CO -0.06 0.29 0.52 -0.94 -1.91 0.00 0.00 174.94 172.84 1s3k s SER 71 N -1.62 -0.05 0.09 4.50 1.04 -0.84 -4.98 113.70 111.84 1s3k s SER 71 Ca 0.37 -0.93 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 1s3k s SER 71 Cb -0.16 0.62 0.04 0.00 0.10 0.00 0.00 66.02 66.62 1s3k s SER 71 CO 0.19 -1.19 0.42 0.00 0.98 0.00 0.00 173.24 173.64 1s3k s ARG 72 N -3.90 1.03 -0.46 4.02 1.70 -1.26 0.35 118.95 120.43 1s3k s ARG 72 Ca 0.21 -0.55 0.03 0.00 -0.47 0.00 0.00 55.73 54.95 1s3k s ARG 72 Cb -0.01 0.46 0.13 0.00 -0.57 0.00 0.00 34.95 34.95 1s3k s ARG 72 CO 0.10 -0.39 0.24 0.34 -1.08 0.00 0.00 175.30 174.51 1s3k s ASP 73 N -2.48 3.87 0.39 -2.89 -1.08 0.07 -4.98 116.67 109.56 1s3k s ASP 73 Ca -0.00 -2.72 0.12 0.00 -0.52 0.00 0.00 52.55 49.43 1s3k s ASP 73 Cb 0.01 -1.23 0.94 0.00 -1.46 0.00 0.00 42.92 41.18 1s3k s ASP 73 CO -0.08 -0.26 1.90 0.78 0.52 0.00 0.00 175.17 178.03 1s3k h ASN 74 N 6.69 0.51 0.34 -0.34 -0.26 -1.94 0.24 115.58 120.82 1s3k h ASN 74 Ca -0.03 0.03 -0.02 0.00 -0.56 0.00 0.00 56.30 55.71 1s3k h ASN 74 Cb 0.92 -0.07 -0.00 0.00 -1.06 0.00 0.00 38.32 38.10 1s3k h ASN 74 CO 0.55 0.27 -0.10 0.77 -1.06 0.00 0.00 177.43 177.85 1s3k h SER 75 N 0.55 0.00 -0.20 5.81 4.64 -1.95 -2.33 113.55 120.06 1s3k h SER 75 Ca 0.40 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.72 1s3k h SER 75 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 1s3k h SER 75 CO -0.15 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.20 1s3k n LYS 76 N -3.64 1.78 -3.87 4.77 4.76 -0.07 -4.99 118.16 116.91 1s3k n LYS 76 Ca -0.02 -1.69 -0.27 0.00 -2.87 0.00 0.00 58.31 53.45 1s3k n LYS 76 Cb 0.22 -1.28 0.02 0.00 -1.84 0.00 0.00 35.03 32.15 1s3k n LYS 76 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 1s3k n ASN 77 N 0.72 -3.31 -4.09 4.39 5.03 -0.40 -4.78 115.26 112.82 1s3k n ASN 77 Ca 0.11 -0.82 -0.21 0.00 0.87 0.00 0.00 54.58 54.52 1s3k n ASN 77 Cb 0.39 -3.83 -0.15 0.00 -1.02 0.00 0.00 39.78 35.17 1s3k n ASN 77 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1s3k s THR 78 N -3.46 1.03 0.06 3.41 2.01 -1.08 -1.37 115.64 116.23 1s3k s THR 78 Ca 0.42 -0.58 0.05 0.00 0.31 0.00 0.00 61.69 61.89 1s3k s THR 78 Cb -0.21 -0.86 -0.04 0.00 0.01 0.00 0.00 72.50 71.40 1s3k s THR 78 CO 0.83 0.27 -0.06 -0.22 -0.69 0.00 0.00 174.62 174.75 1s3k s LEU 79 N -0.36 3.19 0.17 4.42 2.96 -0.29 -0.75 118.68 128.02 1s3k s LEU 79 Ca 0.05 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 53.78 1s3k s LEU 79 Cb -0.05 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.68 1s3k s LEU 79 CO -0.00 0.22 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.75 1s3k s PHE 80 N -1.15 1.51 -0.19 5.38 0.08 0.15 -0.53 117.98 123.23 1s3k s PHE 80 Ca 0.21 -0.63 -0.05 0.00 0.12 0.00 0.00 56.93 56.58 1s3k s PHE 80 Cb -0.11 -0.74 0.07 0.00 -0.57 0.00 0.00 43.02 41.67 1s3k s PHE 80 CO 0.12 0.23 0.12 -1.17 -0.10 0.00 0.00 175.22 174.42 1s3k s LEU 81 N -3.09 0.26 -0.24 -0.37 2.96 -0.40 -1.98 118.68 115.81 1s3k s LEU 81 Ca 0.18 -0.59 -0.18 0.00 -0.22 0.00 0.00 54.13 53.31 1s3k s LEU 81 Cb -0.01 -0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.54 1s3k s LEU 81 CO 0.04 -0.35 0.54 -1.58 -1.32 0.00 0.00 176.35 173.67 1s3k s GLN 82 N 2.18 4.11 -0.28 1.98 2.00 0.21 -0.45 119.66 129.40 1s3k s GLN 82 Ca 0.04 0.39 -0.02 0.00 -2.00 0.00 0.00 55.36 53.76 1s3k s GLN 82 Cb -0.16 -3.63 0.04 0.00 0.80 0.00 0.00 33.01 30.06 1s3k s GLN 82 CO -0.12 -0.31 -0.01 -1.64 -0.50 0.00 0.00 175.29 172.71 1s3k s MET 83 N 2.17 2.63 0.32 1.67 -1.94 0.12 -0.89 119.30 123.38 1s3k s MET 83 Ca 0.23 -1.13 0.08 0.00 -1.71 0.00 0.00 55.69 53.16 1s3k s MET 83 Cb -0.16 -3.15 -0.04 0.00 2.01 0.00 0.00 34.83 33.50 1s3k s MET 83 CO 0.09 -0.53 0.18 -0.51 -0.01 0.00 0.00 175.02 174.24 1s3k s ASP 84 N 1.31 4.98 -1.48 3.03 1.01 -0.62 -0.67 116.67 124.23 1s3k s ASP 84 Ca -0.03 -0.60 -0.02 0.00 0.71 0.00 0.00 52.55 52.62 1s3k s ASP 84 Cb -0.18 -0.91 0.00 0.00 1.01 0.00 0.00 42.92 42.83 1s3k s ASP 84 CO -0.02 -0.25 0.19 -1.20 0.21 0.00 0.00 175.17 174.10 1s3k n SER 85 N -1.20 0.24 -4.75 0.27 7.64 -1.15 -4.73 113.62 109.95 1s3k n SER 85 Ca -0.04 -1.18 -0.40 0.00 1.01 0.00 0.00 58.87 58.27 1s3k n SER 85 Cb 0.60 -2.15 0.03 0.00 -1.01 0.00 0.00 64.21 61.67 1s3k n SER 85 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1s3k n LEU 86 N -4.53 5.12 -4.42 -3.43 4.77 -0.90 -4.57 117.00 109.05 1s3k n LEU 86 Ca -0.31 1.08 -0.24 0.00 -0.03 0.00 0.00 56.01 56.51 1s3k n LEU 86 Cb 0.69 -1.58 -0.11 0.00 -2.33 0.00 0.00 43.42 40.09 1s3k n LEU 86 CO 0.81 -0.34 -0.49 -0.13 -1.33 0.00 0.00 177.39 175.91 1s3k s ARG 87 N -2.55 1.52 0.37 3.23 0.52 -1.26 -0.16 118.95 120.62 1s3k s ARG 87 Ca 0.64 -1.62 0.13 0.00 -0.52 0.00 0.00 55.73 54.36 1s3k s ARG 87 Cb -0.45 -1.64 0.94 0.00 0.52 0.00 0.00 34.95 34.33 1s3k s ARG 87 CO 0.55 0.32 1.81 -1.35 0.02 0.00 0.00 175.30 176.66 1s3k h PRO 88 N 2.73 0.54 0.00 3.54 0.11 -1.97 0.24 132.00 137.20 1s3k h PRO 88 Ca -0.42 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.66 1s3k h PRO 88 Cb 1.23 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1s3k h PRO 88 CO 0.55 0.36 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 1s3k n GLU 89 N -4.62 0.18 0.00 1.05 4.71 -1.26 -1.61 120.64 119.09 1s3k n GLU 89 Ca 0.22 0.54 0.15 0.00 -0.01 0.00 0.00 57.16 58.06 1s3k n GLU 89 Cb 0.67 -1.94 0.74 0.00 -1.01 0.00 0.00 31.44 29.90 1s3k n GLU 89 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1s3k n ASP 90 N -2.29 0.11 -4.76 1.62 8.00 0.85 -4.87 116.55 115.21 1s3k n ASP 90 Ca 0.00 -0.33 -0.41 0.00 0.71 0.00 0.00 54.79 54.76 1s3k n ASP 90 Cb 0.13 -0.20 -0.01 0.00 -0.02 0.00 0.00 41.12 41.01 1s3k n ASP 90 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1s3k s THR 91 N -2.49 2.26 -5.00 -3.53 2.01 -0.63 -4.89 115.64 103.37 1s3k s THR 91 Ca 0.31 0.24 0.00 0.00 0.31 0.00 0.00 61.69 62.55 1s3k s THR 91 Cb 0.20 -3.15 0.00 0.00 0.01 0.00 0.00 72.50 69.56 1s3k s THR 91 CO 0.46 0.05 0.00 0.61 -0.69 0.00 0.00 174.62 175.04 1s3k n GLY 92 N 1.37 -1.35 3.75 4.40 0.00 0.31 -4.28 105.19 109.40 1s3k n GLY 92 Ca 0.04 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.24 1s3k n GLY 92 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3k s VAL 93 N -2.19 5.32 -0.23 1.61 1.01 -0.37 -0.52 120.40 125.03 1s3k s VAL 93 Ca 0.00 0.48 -0.07 0.00 0.00 0.00 0.00 61.98 62.39 1s3k s VAL 93 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 1s3k s VAL 93 CO 0.00 0.43 0.06 -0.31 0.00 0.00 0.00 175.10 175.28 1s3k s TYR 94 N 0.23 3.12 0.02 5.22 1.51 -0.22 -1.10 117.35 126.12 1s3k s TYR 94 Ca 0.15 -0.29 0.03 0.00 -1.01 0.00 0.00 57.07 55.95 1s3k s TYR 94 Cb -0.13 -2.18 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 1s3k s TYR 94 CO 0.04 -0.21 -0.02 -0.06 -1.11 0.00 0.00 175.55 174.18 1s3k s PHE 95 N 1.23 3.00 -0.13 2.71 0.40 0.34 -1.44 117.98 124.09 1s3k s PHE 95 Ca 0.05 0.02 -0.05 0.00 -0.60 0.00 0.00 56.93 56.34 1s3k s PHE 95 Cb -0.14 -1.62 -0.04 0.00 0.51 0.00 0.00 43.02 41.73 1s3k s PHE 95 CO 0.03 0.44 0.06 0.00 0.70 0.00 0.00 175.22 176.46 1s3k s ALA 97 N -0.48 -0.36 0.02 0.00 0.00 -0.18 -1.69 121.76 119.05 1s3k s ALA 97 Ca 0.10 -0.18 0.06 0.00 0.00 0.00 0.00 51.96 51.93 1s3k s ALA 97 Cb -0.12 0.18 -0.02 0.00 0.00 0.00 0.00 23.12 23.16 1s3k s ALA 97 CO 0.02 -0.28 -0.17 0.50 0.00 0.00 0.00 175.76 175.83 1s3k s ARG 98 N -1.93 1.22 0.00 0.00 3.00 -0.35 -1.05 118.95 119.85 1s3k s ARG 98 Ca -0.10 -0.72 0.00 0.00 -1.00 0.00 0.00 55.73 53.91 1s3k s ARG 98 Cb -0.04 -1.24 0.00 0.00 0.00 0.00 0.00 34.95 33.67 1s3k s ARG 98 CO -0.01 0.32 0.00 0.41 0.00 0.00 0.00 175.30 176.03 1s3k n GLY 99 N 2.25 1.63 3.23 8.12 0.00 -0.53 -0.73 105.19 119.16 1s3k n GLY 99 Ca -0.16 -1.82 -0.16 0.00 0.00 0.00 0.00 46.02 43.88 1s3k n GLY 99 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3k s THR 100 N 2.19 1.22 0.25 2.61 -4.23 -0.94 -4.64 115.64 112.11 1s3k s THR 100 Ca 0.00 -1.79 -0.03 0.00 -1.18 0.00 0.00 61.69 58.69 1s3k s THR 100 Cb 0.00 -1.58 0.23 0.00 1.34 0.00 0.00 72.50 72.49 1s3k s THR 100 CO 0.00 -0.53 1.73 0.03 -0.54 0.00 0.00 174.62 175.32 1s3k h ARG 101 N 3.33 0.47 -0.44 3.99 -0.00 -1.99 -2.67 114.38 117.08 1s3k h ARG 101 Ca -0.38 -0.03 0.00 0.00 -0.50 0.00 0.00 59.98 59.07 1s3k h ARG 101 Cb 1.19 -0.11 0.00 0.00 0.00 0.00 0.00 29.97 31.06 1s3k h ARG 101 CO 0.54 0.31 0.00 -0.40 0.00 0.00 0.00 179.97 180.42 1s3k n ASP 102 N -4.97 0.51 0.00 7.04 5.75 -1.26 -4.87 116.55 118.75 1s3k n ASP 102 Ca 0.15 -2.01 0.00 0.00 -0.01 0.00 0.00 54.79 52.93 1s3k n ASP 102 Cb 0.44 -0.22 0.00 0.00 -1.03 0.00 0.00 41.12 40.30 1s3k n ASP 102 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1s3k n GLY 103 N 0.30 1.62 3.71 6.12 0.00 -1.01 -5.14 105.19 110.80 1s3k n GLY 103 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1s3k n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1s3k s SER 104 N -2.00 4.95 -0.15 1.61 1.04 -1.25 -4.96 113.70 112.95 1s3k s SER 104 Ca 0.00 -0.40 -0.11 0.00 0.48 0.00 0.00 55.95 55.93 1s3k s SER 104 Cb 0.00 -1.10 -0.04 0.00 0.10 0.00 0.00 66.02 64.98 1s3k s SER 104 CO 0.00 0.04 -0.20 0.79 0.98 0.00 0.00 173.24 174.85 1s3k n TRP 105 N -0.55 0.79 -3.50 5.02 8.01 -1.26 -2.21 117.44 123.74 1s3k n TRP 105 Ca -0.08 0.35 -0.29 0.00 -1.31 0.00 0.00 57.50 56.16 1s3k n TRP 105 Cb 0.57 -0.74 -0.08 0.00 -2.01 0.00 0.00 31.31 29.05 1s3k n TRP 105 CO 0.00 0.00 0.00 1.19 -1.01 0.00 0.00 177.69 177.87 1s3k n PHE 106 N -4.59 3.50 0.06 -5.99 0.99 -1.26 -1.45 117.46 108.71 1s3k n PHE 106 Ca -0.09 -4.05 -0.07 0.00 -0.00 0.00 0.00 57.45 53.24 1s3k n PHE 106 Cb 0.31 -0.68 -0.12 0.00 -1.00 0.00 0.00 39.48 37.99 1s3k n PHE 106 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1s3k h ALA 107 N 4.68 0.36 -3.62 4.37 0.00 -1.19 -3.45 119.26 120.41 1s3k h ALA 107 Ca 0.19 -0.93 -0.52 0.00 0.00 0.00 0.00 54.91 53.65 1s3k h ALA 107 Cb 0.69 -0.14 -0.32 0.00 0.00 0.00 0.00 17.79 18.01 1s3k h ALA 107 CO 0.86 1.26 -0.82 0.71 0.00 0.00 0.00 179.25 181.26 1s3k s TYR 108 N -2.71 1.51 0.14 0.00 2.02 -0.54 -5.00 117.35 112.76 1s3k s TYR 108 Ca 0.01 -0.50 0.08 0.00 -0.37 0.00 0.00 57.07 56.29 1s3k s TYR 108 Cb 0.10 -1.06 -0.04 0.00 -0.40 0.00 0.00 41.96 40.56 1s3k s TYR 108 CO 0.82 -0.22 -0.20 -1.58 -1.57 0.00 0.00 175.55 172.80 1s3k s TRP 109 N 0.39 1.81 0.49 2.71 0.52 -1.26 -1.22 118.94 122.38 1s3k s TRP 109 Ca -0.10 -0.44 -0.04 0.00 0.02 0.00 0.00 56.10 55.54 1s3k s TRP 109 Cb -0.13 -0.95 0.10 0.00 -1.15 0.00 0.00 33.47 31.34 1s3k s TRP 109 CO 0.03 0.27 0.67 0.41 0.02 0.00 0.00 176.95 178.35 1s3k n GLY 110 N 0.67 -0.09 0.12 0.98 0.00 -0.68 -4.62 105.19 101.55 1s3k n GLY 110 Ca -0.16 -1.88 0.13 0.00 0.00 0.00 0.00 46.02 44.10 1s3k n GLY 110 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1s3k h GLN 111 N 0.00 0.00 0.00 1.61 -0.00 -1.92 -3.45 115.11 111.35 1s3k h GLN 111 Ca -0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.43 1s3k h GLN 111 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.20 1s3k h GLN 111 CO 0.20 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.44 1s3k n GLY 112 N 1.28 0.33 3.08 0.06 0.00 -1.26 -5.03 105.19 103.66 1s3k n GLY 112 Ca 0.05 -1.55 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1s3k n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1s3k s THR 113 N -2.53 1.43 0.14 2.61 -1.32 -0.52 -4.82 115.64 110.63 1s3k s THR 113 Ca 0.00 -0.65 -0.30 0.00 -1.21 0.00 0.00 61.69 59.53 1s3k s THR 113 Cb 0.00 -1.28 -0.07 0.00 -1.51 0.00 0.00 72.50 69.64 1s3k s THR 113 CO 0.00 0.42 1.00 -2.16 -2.21 0.00 0.00 174.62 171.68 1s3k s PRO 114 N 0.61 4.68 -0.12 7.08 0.04 -1.26 -1.06 135.00 144.96 1s3k s PRO 114 Ca -0.15 1.54 0.02 0.00 0.04 0.00 0.00 61.00 62.44 1s3k s PRO 114 Cb -0.16 -3.34 0.01 0.00 0.04 0.00 0.00 34.50 31.05 1s3k s PRO 114 CO 0.05 0.19 -0.16 0.08 0.04 0.00 0.00 177.00 177.20 1s3k s VAL 115 N -0.17 1.61 -0.19 -0.36 1.01 0.32 -1.87 120.40 120.76 1s3k s VAL 115 Ca 0.47 -0.70 0.01 0.00 0.00 0.00 0.00 61.98 61.76 1s3k s VAL 115 Cb -0.25 -1.47 0.04 0.00 0.00 0.00 0.00 36.38 34.69 1s3k s VAL 115 CO 0.32 0.46 -0.14 -0.89 0.00 0.00 0.00 175.10 174.85 1s3k s THR 116 N 1.02 1.81 -0.45 3.92 2.01 -0.34 -0.53 115.64 123.08 1s3k s THR 116 Ca -0.05 -1.01 -0.16 0.00 0.31 0.00 0.00 61.69 60.78 1s3k s THR 116 Cb -0.15 -1.79 0.05 0.00 0.01 0.00 0.00 72.50 70.63 1s3k s THR 116 CO -0.03 0.29 0.39 -0.69 -0.69 0.00 0.00 174.62 173.89 1s3k s VAL 117 N 1.34 5.20 0.06 3.82 1.01 -1.26 -0.56 120.40 130.01 1s3k s VAL 117 Ca 0.00 -0.82 -0.13 0.00 0.00 0.00 0.00 61.98 61.04 1s3k s VAL 117 Cb -0.15 -4.08 0.02 0.00 0.00 0.00 0.00 36.38 32.17 1s3k s VAL 117 CO -0.09 -0.50 0.28 -0.55 0.00 0.00 0.00 175.10 174.23 1s3k s SER 118 N 2.26 -0.07 0.00 3.32 0.15 0.23 -4.51 113.70 115.07 1s3k s SER 118 Ca 0.06 -0.33 0.25 0.00 0.70 0.00 0.00 55.95 56.64 1s3k s SER 118 Cb -0.22 0.36 0.59 0.00 -1.71 0.00 0.00 66.02 65.05 1s3k s SER 118 CO 0.09 -0.67 1.47 -1.54 1.20 0.00 0.00 173.24 173.79 1s3k n SER 119 N 0.33 0.45 -4.85 5.45 3.41 -1.26 -3.59 113.62 113.55 1s3k n SER 119 Ca -0.17 -0.16 -0.33 0.00 -0.26 0.00 0.00 58.87 57.95 1s3k n SER 119 Cb 0.61 0.16 -0.06 0.00 -0.26 0.00 0.00 64.21 64.66 1s3k n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1s3k s ALA 120 N -3.00 3.44 0.43 7.33 0.00 -1.26 -5.04 121.76 123.65 1s3k s ALA 120 Ca 0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.81 1s3k s ALA 120 Cb 0.18 -2.65 -0.10 0.00 0.00 0.00 0.00 23.12 20.54 1s3k s ALA 120 CO 0.68 0.40 0.98 -1.12 0.00 0.00 0.00 175.76 176.70 1s3k s SER 121 N -2.11 6.83 0.52 0.00 0.01 -1.26 -4.98 113.70 112.70 1s3k s SER 121 Ca 0.48 1.80 -0.21 0.00 1.31 0.00 0.00 55.95 59.33 1s3k s SER 121 Cb -0.12 -2.55 -0.06 0.00 0.21 0.00 0.00 66.02 63.50 1s3k s SER 121 CO 0.19 -0.44 1.19 -0.89 0.41 0.00 0.00 173.24 173.71 1s3k s THR 122 N -2.02 2.87 -0.05 1.44 2.01 -1.26 -4.91 115.64 113.72 1s3k s THR 122 Ca 0.61 0.60 -0.02 0.00 0.31 0.00 0.00 61.69 63.20 1s3k s THR 122 Cb -0.13 -3.28 0.04 0.00 0.01 0.00 0.00 72.50 69.14 1s3k s THR 122 CO 0.17 -0.06 0.10 -0.75 -0.69 0.00 0.00 174.62 173.39 1s3k s LYS 123 N -3.00 0.03 0.55 4.92 2.20 0.17 -4.96 119.74 119.64 1s3k s LYS 123 Ca 0.70 0.31 -0.15 0.00 -0.36 0.00 0.00 55.97 56.47 1s3k s LYS 123 Cb -0.30 -0.23 -0.07 0.00 -1.51 0.00 0.00 37.83 35.73 1s3k s LYS 123 CO 0.34 -0.18 1.00 0.20 -0.36 0.00 0.00 175.35 176.35 1s3k s GLY 124 N 1.25 1.93 0.54 5.54 0.00 -1.26 -1.22 107.32 114.09 1s3k s GLY 124 Ca -0.08 0.09 -0.10 0.00 0.00 0.00 0.00 44.72 44.63 1s3k s GLY 124 CO -0.05 0.36 0.92 2.56 0.00 0.00 0.00 173.10 176.89 1s3k s PRO 125 N -4.43 3.65 -0.06 2.90 0.04 -1.26 -4.52 135.00 131.31 1s3k s PRO 125 Ca 0.57 0.57 -0.03 0.00 0.04 0.00 0.00 61.00 62.16 1s3k s PRO 125 Cb -0.10 -2.22 -0.04 0.00 0.04 0.00 0.00 34.50 32.18 1s3k s PRO 125 CO 0.39 -0.35 0.07 -1.12 0.04 0.00 0.00 177.00 176.02 1s3k s SER 126 N -3.90 5.69 -0.11 6.66 0.01 -0.02 -4.93 113.70 117.11 1s3k s SER 126 Ca 0.53 0.23 0.03 0.00 1.31 0.00 0.00 55.95 58.04 1s3k s SER 126 Cb -0.11 -1.68 0.01 0.00 0.21 0.00 0.00 66.02 64.45 1s3k s SER 126 CO 0.46 0.35 -0.20 -0.69 0.41 0.00 0.00 173.24 173.56 1s3k s VAL 127 N -1.04 1.83 0.08 3.43 1.01 -1.26 -0.90 120.40 123.55 1s3k s VAL 127 Ca 0.17 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.37 1s3k s VAL 127 Cb -0.12 -1.61 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1s3k s VAL 127 CO 0.07 0.51 -0.21 -0.36 0.00 0.00 0.00 175.10 175.11 1s3k s PHE 128 N 0.62 1.80 0.34 5.22 0.08 0.24 -4.95 117.98 121.34 1s3k s PHE 128 Ca -0.13 -0.40 -0.20 0.00 0.12 0.00 0.00 56.93 56.32 1s3k s PHE 128 Cb -0.16 -1.02 -0.10 0.00 -0.57 0.00 0.00 43.02 41.17 1s3k s PHE 128 CO 0.04 0.16 0.85 -1.25 -0.10 0.00 0.00 175.22 174.92 1s3k s PRO 129 N -1.62 4.25 -0.60 0.24 0.04 -1.26 0.51 135.00 136.55 1s3k s PRO 129 Ca 0.07 0.99 -0.04 0.00 0.04 0.00 0.00 61.00 62.06 1s3k s PRO 129 Cb -0.10 -2.50 0.16 0.00 0.04 0.00 0.00 34.50 32.10 1s3k s PRO 129 CO 0.03 0.16 0.43 -0.51 0.04 0.00 0.00 177.00 177.16 1s3k s LEU 130 N -2.67 5.41 0.26 -3.56 1.43 0.22 -4.80 118.68 114.97 1s3k s LEU 130 Ca 0.54 -2.66 -0.30 0.00 -1.03 0.00 0.00 54.13 50.67 1s3k s LEU 130 Cb -0.13 -1.89 -0.11 0.00 0.03 0.00 0.00 46.19 44.09 1s3k s LEU 130 CO 0.18 -0.43 1.53 0.00 0.23 0.00 0.00 176.35 177.85 1s3k s ALA 131 N 0.22 3.70 1.00 4.21 0.00 -1.26 -1.17 121.76 128.46 1s3k s ALA 131 Ca 0.15 1.44 0.00 0.00 0.00 0.00 0.00 51.96 53.55 1s3k s ALA 131 Cb -0.20 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.31 1s3k s ALA 131 CO -0.04 -0.85 0.00 -0.35 0.00 0.00 0.00 175.76 174.52 1s3k n PRO 132 N 2.49 1.00 0.00 0.00 -0.04 -1.25 -4.87 135.00 132.34 1s3k n PRO 132 Ca 0.08 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.54 1s3k n PRO 132 Cb 0.39 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.85 1s3k n PRO 132 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3k n GLY 140 N 2.75 1.69 3.42 0.55 0.00 -1.26 -4.80 105.19 107.55 1s3k n GLY 140 Ca 0.00 0.19 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 1s3k n GLY 140 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s3k s THR 141 N 0.00 2.63 0.18 2.61 -4.23 -1.26 -0.51 115.64 115.05 1s3k s THR 141 Ca 0.00 -1.16 0.10 0.00 -1.18 0.00 0.00 61.69 59.45 1s3k s THR 141 Cb 0.00 -2.07 -0.04 0.00 1.34 0.00 0.00 72.50 71.73 1s3k s THR 141 CO 0.00 0.40 -0.16 0.00 -0.54 0.00 0.00 174.62 174.32 1s3k s ALA 142 N -0.85 2.77 -0.07 3.99 0.00 0.30 -4.70 121.76 123.19 1s3k s ALA 142 Ca 0.13 -1.52 0.02 0.00 0.00 0.00 0.00 51.96 50.60 1s3k s ALA 142 Cb -0.10 -0.58 -0.02 0.00 0.00 0.00 0.00 23.12 22.41 1s3k s ALA 142 CO 0.03 0.47 -0.14 0.00 0.00 0.00 0.00 175.76 176.12 1s3k s ALA 143 N -1.63 2.65 0.19 0.00 0.00 -1.26 -0.39 121.76 121.33 1s3k s ALA 143 Ca 0.23 -0.95 -0.05 0.00 0.00 0.00 0.00 51.96 51.19 1s3k s ALA 143 Cb -0.09 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.96 1s3k s ALA 143 CO 0.13 0.46 0.22 -0.48 0.00 0.00 0.00 175.76 176.09 1s3k s LEU 144 N -0.41 1.06 0.00 0.00 0.05 -0.60 -3.84 118.68 114.95 1s3k s LEU 144 Ca 0.05 -1.16 0.00 0.00 0.05 0.00 0.00 54.13 53.07 1s3k s LEU 144 Cb -0.12 0.81 0.00 0.00 -2.05 0.00 0.00 46.19 44.83 1s3k s LEU 144 CO 0.02 -0.89 0.00 0.61 -0.55 0.00 0.00 176.35 175.54 1s3k n GLY 145 N -0.25 0.62 2.88 -3.48 0.00 -0.32 -0.64 105.19 104.01 1s3k n GLY 145 Ca -0.02 -0.70 -0.12 0.00 0.00 0.00 0.00 46.02 45.18 1s3k n GLY 145 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3k s LEU 147 N -0.07 4.04 -0.39 0.00 2.96 0.18 -1.21 118.68 124.19 1s3k s LEU 147 Ca -0.00 0.06 -0.04 0.00 -0.22 0.00 0.00 54.13 53.93 1s3k s LEU 147 Cb -0.01 -2.09 0.09 0.00 0.50 0.00 0.00 46.19 44.68 1s3k s LEU 147 CO -0.00 0.03 0.18 -0.69 -1.32 0.00 0.00 176.35 174.55 1s3k s VAL 148 N 1.24 3.41 0.14 1.68 1.01 0.94 -0.59 120.40 128.24 1s3k s VAL 148 Ca 0.07 -1.80 0.10 0.00 0.00 0.00 0.00 61.98 60.35 1s3k s VAL 148 Cb -0.14 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 1s3k s VAL 148 CO 0.06 -0.54 -0.18 -0.75 0.00 0.00 0.00 175.10 173.68 1s3k s LYS 149 N 1.22 1.74 -1.06 2.72 2.20 -0.08 -0.54 119.74 125.94 1s3k s LYS 149 Ca 0.05 -1.28 -0.09 0.00 -0.36 0.00 0.00 55.97 54.29 1s3k s LYS 149 Cb -0.22 -2.05 -0.06 0.00 -1.51 0.00 0.00 37.83 33.99 1s3k s LYS 149 CO -0.02 0.45 0.89 -0.25 -0.36 0.00 0.00 175.35 176.06 1s3k n ASP 150 N 0.56 -6.42 -4.35 1.43 8.00 -0.59 -0.84 116.55 114.34 1s3k n ASP 150 Ca -0.14 -0.76 -0.18 0.00 0.71 0.00 0.00 54.79 54.41 1s3k n ASP 150 Cb 0.54 -4.85 -0.10 0.00 -0.02 0.00 0.00 41.12 36.69 1s3k n ASP 150 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 1s3k s TYR 151 N -3.40 1.71 -0.24 1.24 -0.85 -0.84 -4.33 117.35 110.64 1s3k s TYR 151 Ca 0.45 -0.60 -0.17 0.00 -0.52 0.00 0.00 57.07 56.24 1s3k s TYR 151 Cb -0.08 -0.81 0.07 0.00 0.38 0.00 0.00 41.96 41.52 1s3k s TYR 151 CO 0.76 0.34 0.61 0.12 -1.52 0.00 0.00 175.55 175.86 1s3k s PHE 152 N -3.00 -0.83 0.00 -3.49 5.36 -0.36 -0.82 117.98 114.84 1s3k s PHE 152 Ca 0.23 1.79 0.00 0.00 -0.96 0.00 0.00 56.93 57.99 1s3k s PHE 152 Cb -0.00 0.41 0.00 0.00 -0.34 0.00 0.00 43.02 43.09 1s3k s PHE 152 CO 0.07 -0.42 0.00 -0.35 -1.46 0.00 0.00 175.22 173.06 1s3k n PRO 153 N 3.70 1.47 -1.66 10.12 -0.04 -1.26 -0.66 135.00 146.67 1s3k n PRO 153 Ca -0.18 0.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.97 1s3k n PRO 153 Cb 0.57 0.00 0.05 0.00 -0.04 0.00 0.00 33.50 34.08 1s3k n PRO 153 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 1s3k s GLN 154 N -0.97 2.94 0.48 0.54 -1.52 -1.26 -4.77 119.66 115.10 1s3k s GLN 154 Ca 0.00 0.82 0.08 0.00 -1.95 0.00 0.00 55.36 54.31 1s3k s GLN 154 Cb 0.00 -2.00 0.02 0.00 -0.22 0.00 0.00 33.01 30.81 1s3k s GLN 154 CO 0.00 -1.06 0.54 -1.25 -0.25 0.00 0.00 175.29 173.27 1s3k s PRO 155 N -5.12 2.52 0.02 2.91 0.04 -1.26 -4.97 135.00 129.14 1s3k s PRO 155 Ca 0.58 -1.55 0.03 0.00 0.04 0.00 0.00 61.00 60.10 1s3k s PRO 155 Cb -0.13 -2.51 -0.01 0.00 0.04 0.00 0.00 34.50 31.89 1s3k s PRO 155 CO 0.54 -0.44 -0.10 0.08 0.04 0.00 0.00 177.00 177.12 1s3k s VAL 156 N -2.53 0.80 -0.00 -0.36 1.01 -1.26 -4.38 120.40 113.67 1s3k s VAL 156 Ca 0.51 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.88 1s3k s VAL 156 Cb -0.06 -0.72 -0.02 0.00 0.00 0.00 0.00 36.38 35.58 1s3k s VAL 156 CO 0.31 0.04 -0.24 0.42 0.00 0.00 0.00 175.10 175.63 1s3k s THR 157 N -0.60 2.23 -0.08 3.92 -4.23 -0.29 -4.98 115.64 111.60 1s3k s THR 157 Ca 0.01 -1.15 0.01 0.00 -1.18 0.00 0.00 61.69 59.37 1s3k s THR 157 Cb -0.06 -1.82 0.02 0.00 1.34 0.00 0.00 72.50 71.99 1s3k s THR 157 CO 0.00 0.51 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.82 1s3k s VAL 158 N -0.70 0.88 0.30 2.29 1.01 -1.26 -1.14 120.40 121.79 1s3k s VAL 158 Ca 0.11 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.89 1s3k s VAL 158 Cb -0.10 -0.88 -0.06 0.00 0.00 0.00 0.00 36.38 35.34 1s3k s VAL 158 CO 0.00 0.32 -0.07 -0.94 0.00 0.00 0.00 175.10 174.41 1s3k s SER 159 N 1.18 3.05 -0.09 3.32 1.04 -0.43 -4.95 113.70 116.82 1s3k s SER 159 Ca -0.06 -1.19 0.03 0.00 0.48 0.00 0.00 55.95 55.22 1s3k s SER 159 Cb -0.14 -0.22 0.00 0.00 0.10 0.00 0.00 66.02 65.76 1s3k s SER 159 CO -0.02 -0.30 -0.20 0.26 0.98 0.00 0.00 173.24 173.97 1s3k s TRP 160 N -2.89 2.20 -1.40 5.02 0.52 -1.26 -0.26 118.94 120.87 1s3k s TRP 160 Ca 0.30 -0.88 -0.05 0.00 0.02 0.00 0.00 56.10 55.49 1s3k s TRP 160 Cb 0.03 -1.50 0.03 0.00 -1.15 0.00 0.00 33.47 30.89 1s3k s TRP 160 CO 0.13 -0.37 0.78 0.09 0.02 0.00 0.00 176.95 177.60 1s3k n ASN 161 N 3.61 -2.46 -3.35 2.95 3.02 0.75 -1.75 115.26 118.03 1s3k n ASN 161 Ca -0.20 -0.82 -0.24 0.00 -0.03 0.00 0.00 54.58 53.28 1s3k n ASN 161 Cb 0.53 -3.90 0.02 0.00 -0.61 0.00 0.00 39.78 35.82 1s3k n ASN 161 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1s3k n SER 162 N -2.97 -4.79 0.00 6.41 7.64 -1.26 -1.53 113.62 117.12 1s3k n SER 162 Ca -0.17 -0.42 0.00 0.00 1.01 0.00 0.00 58.87 59.28 1s3k n SER 162 Cb 0.62 -3.89 0.00 0.00 -1.01 0.00 0.00 64.21 59.93 1s3k n SER 162 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1s3k n GLY 163 N -1.40 0.91 0.21 0.23 0.00 -0.72 -4.92 105.19 99.50 1s3k n GLY 163 Ca -0.04 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 1s3k n GLY 163 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1s3k h ALA 164 N 0.00 0.96 -3.18 4.61 0.00 -1.13 -3.41 119.26 117.11 1s3k h ALA 164 Ca 0.00 -0.21 -0.68 0.00 0.00 0.00 0.00 54.91 54.02 1s3k h ALA 164 Cb 0.00 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 17.46 1s3k h ALA 164 CO 0.00 0.29 -0.67 -1.17 0.00 0.00 0.00 179.25 177.70 1s3k s LEU 165 N -6.62 3.67 0.00 0.00 0.20 -0.81 -4.91 118.68 110.20 1s3k s LEU 165 Ca 0.02 -0.87 0.00 0.00 0.69 0.00 0.00 54.13 53.96 1s3k s LEU 165 Cb 0.09 -1.78 0.00 0.00 -0.43 0.00 0.00 46.19 44.07 1s3k s LEU 165 CO 0.65 -0.19 0.00 0.35 -0.29 0.00 0.00 176.35 176.87 1s3k n THR 166 N 4.76 0.00 -1.87 3.68 -2.24 -1.26 -4.07 114.28 113.28 1s3k n THR 166 Ca -0.15 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.21 1s3k n THR 166 Cb 0.47 -0.39 -0.03 0.00 -2.10 0.00 0.00 70.33 68.28 1s3k n THR 166 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1s3k s SER 167 N -3.17 6.53 0.00 3.42 0.15 -1.26 -2.26 113.70 117.10 1s3k s SER 167 Ca 0.00 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.33 1s3k s SER 167 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1s3k s SER 167 CO 0.00 -0.87 0.00 0.61 1.20 0.00 0.00 173.24 174.18 1s3k n GLY 168 N 3.84 1.02 3.75 9.45 0.00 -1.26 -4.72 105.19 117.28 1s3k n GLY 168 Ca 0.15 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.77 1s3k n GLY 168 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s3k s VAL 169 N -3.53 4.24 -0.16 1.61 1.01 -0.96 -2.96 120.40 119.64 1s3k s VAL 169 Ca 0.00 1.99 -0.04 0.00 0.00 0.00 0.00 61.98 63.93 1s3k s VAL 169 Cb 0.00 -4.28 0.05 0.00 0.00 0.00 0.00 36.38 32.15 1s3k s VAL 169 CO 0.00 0.46 0.06 -1.00 0.00 0.00 0.00 175.10 174.62 1s3k s HIS 170 N -0.89 0.50 -0.31 5.22 3.76 0.75 -4.99 115.29 119.33 1s3k s HIS 170 Ca 0.41 -0.43 -0.09 0.00 -0.15 0.00 0.00 55.06 54.80 1s3k s HIS 170 Cb -0.25 -0.80 0.01 0.00 1.11 0.00 0.00 32.58 32.65 1s3k s HIS 170 CO 0.30 -0.50 0.13 0.99 -0.85 0.00 0.00 174.74 174.81 1s3k s THR 171 N 2.03 4.32 0.49 1.30 2.01 -1.26 -0.46 115.64 124.07 1s3k s THR 171 Ca 0.02 -0.61 -0.21 0.00 0.31 0.00 0.00 61.69 61.20 1s3k s THR 171 Cb -0.16 -3.25 -0.08 0.00 0.01 0.00 0.00 72.50 69.03 1s3k s THR 171 CO -0.08 0.02 1.08 -0.36 -0.69 0.00 0.00 174.62 174.60 1s3k s PHE 172 N 1.55 2.91 0.45 4.92 0.40 -0.42 -4.98 117.98 122.81 1s3k s PHE 172 Ca 0.03 1.57 -0.25 0.00 -0.60 0.00 0.00 56.93 57.68 1s3k s PHE 172 Cb -0.17 -3.18 -0.08 0.00 0.51 0.00 0.00 43.02 40.10 1s3k s PHE 172 CO 0.05 -1.12 1.39 -2.14 0.70 0.00 0.00 175.22 174.10 1s3k s PRO 173 N -3.12 3.70 0.50 0.24 0.02 -1.26 -4.61 135.00 130.46 1s3k s PRO 173 Ca 0.68 2.35 -0.22 0.00 0.02 0.00 0.00 61.00 63.82 1s3k s PRO 173 Cb -0.21 -2.64 -0.06 0.00 0.02 0.00 0.00 34.50 31.61 1s3k s PRO 173 CO 0.24 -0.78 1.23 0.00 -0.33 0.00 0.00 177.00 177.36 1s3k s ALA 174 N -1.23 2.90 -0.04 -1.55 0.00 -1.26 -4.85 121.76 115.73 1s3k s ALA 174 Ca 0.61 1.07 0.05 0.00 0.00 0.00 0.00 51.96 53.70 1s3k s ALA 174 Cb -0.42 -3.45 -0.01 0.00 0.00 0.00 0.00 23.12 19.24 1s3k s ALA 174 CO 0.54 -0.93 -0.20 0.08 0.00 0.00 0.00 175.76 175.25 1s3k s VAL 175 N -1.47 1.64 0.12 0.00 1.01 -0.33 -4.92 120.40 116.45 1s3k s VAL 175 Ca 0.67 -0.85 -0.30 0.00 0.00 0.00 0.00 61.98 61.50 1s3k s VAL 175 Cb -0.33 -1.39 -0.06 0.00 0.00 0.00 0.00 36.38 34.60 1s3k s VAL 175 CO 0.39 0.47 1.15 -0.22 0.00 0.00 0.00 175.10 176.88 1s3k s LEU 176 N -0.12 4.42 0.46 3.92 2.96 -1.26 -1.55 118.68 127.50 1s3k s LEU 176 Ca -0.01 2.05 0.04 0.00 -0.22 0.00 0.00 54.13 55.99 1s3k s LEU 176 Cb -0.11 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 43.00 1s3k s LEU 176 CO 0.02 -0.35 0.64 -1.10 -1.32 0.00 0.00 176.35 174.24 1s3k s GLN 177 N 0.36 2.80 0.59 1.98 -0.21 0.54 -4.97 119.66 120.75 1s3k s GLN 177 Ca 0.54 -0.94 0.29 0.00 0.02 0.00 0.00 55.36 55.27 1s3k s GLN 177 Cb -0.29 -2.64 1.66 0.00 1.00 0.00 0.00 33.01 32.73 1s3k s GLN 177 CO 0.32 -0.39 2.08 0.66 -2.12 0.00 0.00 175.29 175.85 1s3k h SER 178 N 0.43 0.00 0.65 5.90 4.64 -1.97 0.26 113.55 123.47 1s3k h SER 178 Ca -0.42 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.90 1s3k h SER 178 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 1s3k h SER 178 CO 0.50 0.00 0.00 -1.54 -0.87 0.00 0.00 176.83 174.92 1s3k n SER 179 N -3.76 0.03 0.00 4.97 3.41 -1.26 -4.85 113.62 112.16 1s3k n SER 179 Ca 0.02 0.51 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1s3k n SER 179 Cb 0.35 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.79 1s3k n SER 179 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s3k n GLY 180 N 0.42 0.72 3.64 5.00 0.00 0.08 -5.05 105.19 110.01 1s3k n GLY 180 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 1s3k n GLY 180 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1s3k s LEU 181 N 0.00 3.28 0.45 0.99 1.43 -1.25 -4.86 118.68 118.72 1s3k s LEU 181 Ca 0.00 -0.30 -0.08 0.00 -1.03 0.00 0.00 54.13 52.72 1s3k s LEU 181 Cb 0.00 -2.02 -0.05 0.00 0.03 0.00 0.00 46.19 44.15 1s3k s LEU 181 CO 0.00 0.16 0.80 -0.31 0.23 0.00 0.00 176.35 177.23 1s3k s TYR 182 N -1.36 3.52 -0.03 0.29 1.51 -0.00 -0.33 117.35 120.94 1s3k s TYR 182 Ca 0.25 0.98 -0.17 0.00 -1.01 0.00 0.00 57.07 57.12 1s3k s TYR 182 Cb -0.11 -2.41 0.03 0.00 -0.11 0.00 0.00 41.96 39.36 1s3k s TYR 182 CO 0.17 -0.22 0.36 0.45 -1.11 0.00 0.00 175.55 175.19 1s3k s SER 183 N -3.61 -0.26 0.19 2.29 0.15 -0.60 -1.55 113.70 110.31 1s3k s SER 183 Ca 0.50 0.22 -0.23 0.00 0.70 0.00 0.00 55.95 57.14 1s3k s SER 183 Cb -0.10 0.38 0.05 0.00 -1.71 0.00 0.00 66.02 64.64 1s3k s SER 183 CO 0.38 -0.44 0.70 -1.48 1.20 0.00 0.00 173.24 173.61 1s3k s LEU 184 N -1.17 -0.40 0.11 3.45 0.05 0.30 -1.18 118.68 119.83 1s3k s LEU 184 Ca -0.12 -0.28 0.07 0.00 0.05 0.00 0.00 54.13 53.85 1s3k s LEU 184 Cb -0.04 2.57 -0.03 0.00 -2.05 0.00 0.00 46.19 46.63 1s3k s LEU 184 CO 0.05 -1.09 -0.17 -0.44 -0.55 0.00 0.00 176.35 174.15 1s3k s SER 185 N -2.81 2.18 -0.09 1.48 0.01 -1.26 -0.04 113.70 113.17 1s3k s SER 185 Ca 0.06 -0.72 0.02 0.00 1.31 0.00 0.00 55.95 56.62 1s3k s SER 185 Cb -0.03 -0.10 0.01 0.00 0.21 0.00 0.00 66.02 66.12 1s3k s SER 185 CO -0.03 -0.04 -0.13 -0.55 0.41 0.00 0.00 173.24 172.89 1s3k s SER 186 N -2.11 2.09 0.25 2.44 0.15 -0.35 -1.30 113.70 114.87 1s3k s SER 186 Ca 0.06 -0.35 0.05 0.00 0.70 0.00 0.00 55.95 56.42 1s3k s SER 186 Cb -0.08 -0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 63.24 1s3k s SER 186 CO 0.04 0.01 -0.05 0.68 1.20 0.00 0.00 173.24 175.12 1s3k s VAL 187 N 0.88 1.41 -0.10 4.45 -7.23 0.40 -0.49 120.40 119.73 1s3k s VAL 187 Ca -0.10 -2.10 -0.16 0.00 -1.81 0.00 0.00 61.98 57.82 1s3k s VAL 187 Cb -0.15 -2.34 0.04 0.00 0.56 0.00 0.00 36.38 34.48 1s3k s VAL 187 CO 0.01 -0.36 0.39 0.54 -0.31 0.00 0.00 175.10 175.37 1s3k s VAL 188 N -3.17 0.02 -0.11 1.32 0.11 0.18 -0.18 120.40 118.57 1s3k s VAL 188 Ca 0.28 -0.17 -0.02 0.00 -2.93 0.00 0.00 61.98 59.14 1s3k s VAL 188 Cb 0.04 -0.62 -0.03 0.00 -1.53 0.00 0.00 36.38 34.24 1s3k s VAL 188 CO 0.10 -0.09 -0.03 0.42 -3.33 0.00 0.00 175.10 172.17 1s3k s THR 189 N -0.43 4.03 0.13 5.04 -4.23 -1.16 -1.55 115.64 117.48 1s3k s THR 189 Ca -0.06 -0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1s3k s THR 189 Cb -0.03 -2.72 -0.03 0.00 1.34 0.00 0.00 72.50 71.05 1s3k s THR 189 CO 0.03 0.55 0.10 0.68 -0.54 0.00 0.00 174.62 175.44 1s3k s VAL 190 N -0.31 0.10 0.20 2.29 -7.23 0.48 -4.73 120.40 111.21 1s3k s VAL 190 Ca 0.06 -1.79 -0.31 0.00 -1.81 0.00 0.00 61.98 58.13 1s3k s VAL 190 Cb -0.12 -1.96 -0.10 0.00 0.56 0.00 0.00 36.38 34.76 1s3k s VAL 190 CO 0.02 -0.47 1.52 -2.16 -0.31 0.00 0.00 175.10 173.71 1s3k s PRO 191 N -4.02 4.23 0.61 4.82 0.04 -1.26 0.11 135.00 139.53 1s3k s PRO 191 Ca 0.21 2.35 0.32 0.00 0.04 0.00 0.00 61.00 63.92 1s3k s PRO 191 Cb 0.07 -3.13 1.81 0.00 0.04 0.00 0.00 34.50 33.28 1s3k s PRO 191 CO 0.00 -0.54 2.14 0.77 0.04 0.00 0.00 177.00 179.41 1s3k h SER 192 N 6.05 0.00 0.98 6.66 0.02 -1.08 0.14 113.55 126.33 1s3k h SER 192 Ca -0.44 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1s3k h SER 192 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1s3k h SER 192 CO 0.86 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.01 1s3k n SER 193 N -3.57 0.57 0.12 3.07 3.41 -1.26 -2.62 113.62 113.34 1s3k n SER 193 Ca -0.00 0.60 0.12 0.00 -0.26 0.00 0.00 58.87 59.33 1s3k n SER 193 Cb 0.26 -0.74 0.18 0.00 -0.26 0.00 0.00 64.21 63.66 1s3k n SER 193 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1s3k h SER 194 N 0.00 0.00 -2.57 4.04 4.64 -1.07 -3.44 113.55 115.16 1s3k h SER 194 Ca 0.00 -0.06 -0.58 0.00 -0.47 0.00 0.00 61.79 60.68 1s3k h SER 194 Cb 0.49 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1s3k h SER 194 CO 0.00 0.03 1.29 -0.76 -0.87 0.00 0.00 176.83 176.52 1s3k s LEU 195 N -5.06 3.56 0.00 5.97 1.43 -1.08 -1.61 118.68 121.90 1s3k s LEU 195 Ca 0.06 1.48 0.00 0.00 -1.03 0.00 0.00 54.13 54.64 1s3k s LEU 195 Cb 0.10 -3.52 0.00 0.00 0.03 0.00 0.00 46.19 42.80 1s3k s LEU 195 CO 0.70 -1.67 0.00 0.61 0.23 0.00 0.00 176.35 176.21 1s3k n GLY 196 N 5.37 1.55 0.01 -3.19 0.00 -1.26 -4.89 105.19 102.76 1s3k n GLY 196 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.26 1s3k n GLY 196 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 1s3k n THR 197 N -0.73 0.08 -4.87 2.61 5.66 -0.63 -5.02 114.28 111.38 1s3k n THR 197 Ca 0.00 -0.09 -0.27 0.00 -3.05 0.00 0.00 64.05 60.64 1s3k n THR 197 Cb 0.00 -0.16 -0.16 0.00 -1.55 0.00 0.00 70.33 68.46 1s3k n THR 197 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 1s3k s GLN 198 N -2.14 1.92 0.14 1.09 -0.44 -0.74 -5.13 119.66 114.36 1s3k s GLN 198 Ca -0.01 -0.63 -0.24 0.00 -2.50 0.00 0.00 55.36 51.98 1s3k s GLN 198 Cb 0.01 -1.63 -0.08 0.00 -1.64 0.00 0.00 33.01 29.67 1s3k s GLN 198 CO 0.12 0.23 0.74 0.99 0.50 0.00 0.00 175.29 177.87 1s3k s THR 199 N 0.10 4.46 -0.17 -0.34 2.01 -1.26 -4.81 115.64 115.64 1s3k s THR 199 Ca -0.06 1.61 0.01 0.00 0.31 0.00 0.00 61.69 63.56 1s3k s THR 199 Cb -0.13 -4.10 0.02 0.00 0.01 0.00 0.00 72.50 68.31 1s3k s THR 199 CO 0.03 0.51 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.97 1s3k s TYR 200 N -1.04 2.66 -0.07 4.92 2.02 -1.26 -4.94 117.35 119.65 1s3k s TYR 200 Ca 0.35 -1.57 0.02 0.00 -0.37 0.00 0.00 57.07 55.50 1s3k s TYR 200 Cb -0.22 -1.86 0.02 0.00 -0.40 0.00 0.00 41.96 39.50 1s3k s TYR 200 CO 0.25 -0.78 -0.10 0.42 -1.57 0.00 0.00 175.55 173.77 1s3k s ILE 201 N 1.32 0.99 -0.20 2.71 1.01 -1.26 -0.39 121.20 125.38 1s3k s ILE 201 Ca 0.05 -0.37 -0.13 0.00 0.00 0.00 0.00 60.65 60.20 1s3k s ILE 201 Cb -0.13 -0.93 -0.05 0.00 0.01 0.00 0.00 42.46 41.36 1s3k s ILE 201 CO -0.12 0.33 0.26 0.00 0.00 0.00 0.00 174.94 175.40 1s3k s ASN 203 N 0.74 5.81 -0.16 0.00 -0.87 0.64 -1.57 114.94 119.53 1s3k s ASN 203 Ca 0.13 -0.82 -0.07 0.00 -1.57 0.00 0.00 52.86 50.54 1s3k s ASN 203 Cb -0.13 -2.06 -0.04 0.00 -0.02 0.00 0.00 41.25 39.00 1s3k s ASN 203 CO 0.04 -0.35 0.06 -0.69 -2.57 0.00 0.00 177.10 173.59 1s3k s VAL 204 N 1.61 4.76 -0.11 1.60 1.01 0.68 -1.31 120.40 128.63 1s3k s VAL 204 Ca 0.04 -0.05 -0.01 0.00 0.00 0.00 0.00 61.98 61.96 1s3k s VAL 204 Cb -0.19 -3.12 0.03 0.00 0.00 0.00 0.00 36.38 33.10 1s3k s VAL 204 CO 0.08 0.49 -0.04 0.21 0.00 0.00 0.00 175.10 175.84 1s3k s ASN 205 N 0.10 2.16 -0.59 3.32 3.04 -0.29 -1.07 114.94 121.61 1s3k s ASN 205 Ca 0.05 -0.33 -0.00 0.00 0.04 0.00 0.00 52.86 52.61 1s3k s ASN 205 Cb -0.12 -0.72 0.15 0.00 -1.54 0.00 0.00 41.25 39.02 1s3k s ASN 205 CO 0.01 -0.16 0.38 -2.28 -3.04 0.00 0.00 177.10 172.00 1s3k s HIS 206 N 1.78 3.32 0.26 0.43 5.65 0.14 -1.14 115.29 125.73 1s3k s HIS 206 Ca 0.04 -2.90 -0.02 0.00 0.25 0.00 0.00 55.06 52.42 1s3k s HIS 206 Cb -0.13 -3.06 0.48 0.00 -1.18 0.00 0.00 32.58 28.69 1s3k s HIS 206 CO -0.07 -0.80 1.79 0.87 -0.65 0.00 0.00 174.74 175.88 1s3k h LYS 207 N 6.79 0.71 -0.91 2.88 1.79 -1.83 0.60 116.57 126.60 1s3k h LYS 207 Ca -0.03 -0.04 0.18 0.00 -2.18 0.00 0.00 60.65 58.57 1s3k h LYS 207 Cb 0.92 -0.16 -0.07 0.00 -1.58 0.00 0.00 32.23 31.34 1s3k h LYS 207 CO 0.70 0.47 0.59 -1.35 -1.08 0.00 0.00 179.45 178.78 1s3k h PRO 208 N 0.73 0.55 -0.24 3.15 0.11 -1.91 -0.81 132.00 133.58 1s3k h PRO 208 Ca 0.44 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 66.52 1s3k h PRO 208 Cb 0.51 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 31.50 1s3k h PRO 208 CO -0.30 0.37 0.00 -1.13 -0.21 0.00 0.00 178.00 176.72 1s3k n SER 209 N -4.57 2.69 -3.54 -2.05 3.41 -0.97 -4.90 113.62 103.69 1s3k n SER 209 Ca 0.19 -1.80 -0.26 0.00 -0.26 0.00 0.00 58.87 56.74 1s3k n SER 209 Cb 0.59 -0.15 0.02 0.00 -0.26 0.00 0.00 64.21 64.40 1s3k n SER 209 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1s3k n ASN 210 N 0.78 -4.65 -4.61 4.04 5.15 0.08 -4.93 115.26 111.12 1s3k n ASN 210 Ca 0.11 -0.54 -0.40 0.00 -0.60 0.00 0.00 54.58 53.16 1s3k n ASN 210 Cb 0.41 -3.76 -0.08 0.00 -0.53 0.00 0.00 39.78 35.82 1s3k n ASN 210 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1s3k s THR 211 N -3.13 5.10 -0.17 -0.44 2.01 -0.48 -4.95 115.64 113.59 1s3k s THR 211 Ca 0.50 0.78 0.01 0.00 0.31 0.00 0.00 61.69 63.30 1s3k s THR 211 Cb -0.25 -3.79 0.02 0.00 0.01 0.00 0.00 72.50 68.49 1s3k s THR 211 CO 0.61 0.11 -0.20 -0.75 -0.69 0.00 0.00 174.62 173.70 1s3k s LYS 212 N 2.24 3.00 -0.02 4.92 2.47 -1.26 -0.68 119.74 130.41 1s3k s LYS 212 Ca 0.19 -0.84 0.03 0.00 -1.56 0.00 0.00 55.97 53.80 1s3k s LYS 212 Cb -0.16 -2.53 -0.00 0.00 -1.46 0.00 0.00 37.83 33.68 1s3k s LYS 212 CO 0.09 -0.15 -0.12 0.08 0.16 0.00 0.00 175.35 175.41 1s3k s VAL 213 N 1.14 1.02 -0.20 4.02 1.01 -0.23 -5.01 120.40 122.16 1s3k s VAL 213 Ca 0.01 -0.52 0.01 0.00 0.00 0.00 0.00 61.98 61.49 1s3k s VAL 213 Cb -0.14 -0.88 0.03 0.00 0.00 0.00 0.00 36.38 35.39 1s3k s VAL 213 CO -0.09 0.30 -0.16 -1.81 0.00 0.00 0.00 175.10 173.33 1s3k s ASP 214 N -0.03 3.47 -0.18 3.32 1.01 -1.26 -0.23 116.67 122.77 1s3k s ASP 214 Ca -0.00 -0.86 0.01 0.00 0.71 0.00 0.00 52.55 52.41 1s3k s ASP 214 Cb -0.08 -1.45 0.02 0.00 1.01 0.00 0.00 42.92 42.42 1s3k s ASP 214 CO 0.00 -0.07 -0.18 -0.75 0.21 0.00 0.00 175.17 174.38 1s3k s LYS 215 N 1.26 2.81 0.05 8.23 2.47 -0.61 -4.96 119.74 128.98 1s3k s LYS 215 Ca 0.01 -0.79 -0.29 0.00 -1.56 0.00 0.00 55.97 53.34 1s3k s LYS 215 Cb -0.15 -2.49 -0.05 0.00 -1.46 0.00 0.00 37.83 33.69 1s3k s LYS 215 CO -0.10 -0.23 0.92 0.21 0.16 0.00 0.00 175.35 176.31 1s3k s LYS 216 N 1.33 4.60 -0.27 4.03 2.20 -1.26 -1.27 119.74 129.09 1s3k s LYS 216 Ca 0.04 1.34 -0.06 0.00 -0.36 0.00 0.00 55.97 56.93 1s3k s LYS 216 Cb -0.13 -3.41 -0.00 0.00 -1.51 0.00 0.00 37.83 32.77 1s3k s LYS 216 CO -0.12 0.11 0.05 0.08 -0.36 0.00 0.00 175.35 175.11 1s3k s VAL 217 N 0.43 3.93 0.14 4.02 1.01 0.48 -4.90 120.40 125.51 1s3k s VAL 217 Ca 0.47 -0.52 0.10 0.00 0.00 0.00 0.00 61.98 62.03 1s3k s VAL 217 Cb -0.22 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 1s3k s VAL 217 CO 0.27 0.22 -0.23 -1.61 0.00 0.00 0.00 175.10 173.75 1s3k s GLU 218 N 1.52 1.30 0.00 2.72 2.02 -1.26 -4.36 118.70 120.65 1s3k s GLU 218 Ca 0.04 -1.32 0.17 0.00 0.02 0.00 0.00 54.97 53.88 1s3k s GLU 218 Cb -0.16 -1.63 0.99 0.00 0.10 0.00 0.00 34.13 33.43 1s3k s GLU 218 CO 0.02 0.37 1.39 -0.35 0.02 0.00 0.00 175.26 176.71