#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3k1k s VAL 2 N 0.00 3.83 0.02 5.09 1.01 -1.26 -3.49 120.40 125.59 3k1k s VAL 2 Ca 0.00 1.13 -0.00 0.00 0.00 0.00 0.00 61.98 63.11 3k1k s VAL 2 Cb 0.00 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.64 3k1k s VAL 2 CO 0.00 -0.04 -0.02 -1.10 0.00 0.00 0.00 175.10 173.94 3k1k s GLN 3 N 2.95 0.29 -0.02 2.72 -0.21 -0.34 -5.00 119.66 120.05 3k1k s GLN 3 Ca 0.63 -0.54 0.02 0.00 0.02 0.00 0.00 55.36 55.50 3k1k s GLN 3 Cb -0.29 0.11 0.00 0.00 1.00 0.00 0.00 33.01 33.82 3k1k s GLN 3 CO 0.24 -0.05 -0.09 -0.51 -2.12 0.00 0.00 175.29 172.77 3k1k s LEU 4 N -1.31 1.82 -0.09 2.90 1.43 -1.26 -1.51 118.68 120.67 3k1k s LEU 4 Ca -0.14 -0.18 -0.01 0.00 -1.03 0.00 0.00 54.13 52.76 3k1k s LEU 4 Cb -0.09 -0.52 0.03 0.00 0.03 0.00 0.00 46.19 45.64 3k1k s LEU 4 CO -0.01 0.07 -0.00 -0.69 0.23 0.00 0.00 176.35 175.95 3k1k s VAL 5 N 0.12 0.44 0.25 -1.59 1.01 -0.50 -4.11 120.40 116.02 3k1k s VAL 5 Ca -0.02 0.03 -0.11 0.00 0.00 0.00 0.00 61.98 61.88 3k1k s VAL 5 Cb -0.08 -0.62 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 3k1k s VAL 5 CO 0.00 0.23 0.60 -1.61 0.00 0.00 0.00 175.10 174.32 3k1k s GLU 6 N 1.94 3.87 0.23 2.72 8.01 -1.26 -0.39 118.70 133.82 3k1k s GLU 6 Ca 0.05 0.39 -0.13 0.00 0.01 0.00 0.00 54.97 55.29 3k1k s GLU 6 Cb -0.13 -2.61 -0.00 0.00 -4.31 0.00 0.00 34.13 27.08 3k1k s GLU 6 CO -0.06 0.29 0.47 -1.54 0.01 0.00 0.00 175.26 174.43 3k1k s SER 7 N -2.29 -0.10 0.00 -0.19 1.04 0.50 -4.74 113.70 107.92 3k1k s SER 7 Ca 0.48 -0.86 0.00 0.00 0.48 0.00 0.00 55.95 56.06 3k1k s SER 7 Cb -0.11 0.57 0.00 0.00 0.10 0.00 0.00 66.02 66.58 3k1k s SER 7 CO 0.20 -1.11 0.00 0.61 0.98 0.00 0.00 173.24 173.92 3k1k n GLY 8 N -0.36 2.41 3.43 7.32 0.00 -1.26 -0.72 105.19 116.01 3k1k n GLY 8 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 3k1k n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1k n GLY 9 N -0.52 -1.70 3.65 -0.02 0.00 -1.26 -4.86 105.19 100.49 3k1k n GLY 9 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.01 3k1k n GLY 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3k1k s ALA 10 N -1.58 -2.22 0.27 4.61 0.00 -0.76 -4.89 121.76 117.19 3k1k s ALA 10 Ca 0.64 0.62 -0.29 0.00 0.00 0.00 0.00 51.96 52.92 3k1k s ALA 10 Cb -0.56 0.41 -0.10 0.00 0.00 0.00 0.00 23.12 22.88 3k1k s ALA 10 CO 0.58 -1.06 1.24 -1.17 0.00 0.00 0.00 175.76 175.35 3k1k s LEU 11 N -3.04 4.46 -0.13 0.00 2.96 -1.26 -1.74 118.68 119.94 3k1k s LEU 11 Ca 0.15 2.46 -0.12 0.00 -0.22 0.00 0.00 54.13 56.40 3k1k s LEU 11 Cb 0.04 -3.63 0.03 0.00 0.50 0.00 0.00 46.19 43.14 3k1k s LEU 11 CO -0.03 -0.40 0.34 0.54 -1.32 0.00 0.00 176.35 175.48 3k1k s VAL 12 N -0.76 -0.00 0.49 1.68 0.11 0.14 -4.94 120.40 117.12 3k1k s VAL 12 Ca 0.50 0.00 -0.18 0.00 -2.93 0.00 0.00 61.98 59.37 3k1k s VAL 12 Cb -0.36 -0.48 -0.09 0.00 -1.53 0.00 0.00 36.38 33.92 3k1k s VAL 12 CO 0.45 0.00 0.98 0.00 -3.33 0.00 0.00 175.10 173.20 3k1k s GLN 13 N 0.20 4.01 0.42 1.54 -2.07 -1.26 -0.96 119.66 121.54 3k1k s GLN 13 Ca -0.00 1.02 -0.26 0.00 -1.82 0.00 0.00 55.36 54.30 3k1k s GLN 13 Cb -0.03 -2.14 -0.10 0.00 -1.09 0.00 0.00 33.01 29.65 3k1k s GLN 13 CO 0.00 -0.22 1.36 -2.30 -1.32 0.00 0.00 175.29 172.81 3k1k n PRO 14 N -1.32 2.16 0.00 9.60 -0.02 -1.26 -1.00 135.00 143.15 3k1k n PRO 14 Ca 0.07 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 3k1k n PRO 14 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3k1k n PRO 14 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3k1k n GLY 15 N 0.68 2.99 3.25 -1.23 0.00 0.71 -4.92 105.19 106.67 3k1k n GLY 15 Ca 0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.79 3k1k n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3k1k n GLY 16 N -0.69 -3.18 3.28 -0.02 0.00 -0.17 -3.55 105.19 100.87 3k1k n GLY 16 Ca 0.00 -1.39 -0.21 0.00 0.00 0.00 0.00 46.02 44.42 3k1k n GLY 16 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3k1k s SER 17 N -2.66 2.38 -0.07 1.61 0.01 -1.26 -2.45 113.70 111.26 3k1k s SER 17 Ca 0.62 -0.79 -0.30 0.00 1.31 0.00 0.00 55.95 56.79 3k1k s SER 17 Cb -0.15 -0.12 0.09 0.00 0.21 0.00 0.00 66.02 66.05 3k1k s SER 17 CO 0.56 -0.05 0.79 -0.22 0.41 0.00 0.00 173.24 174.73 3k1k s LEU 18 N -2.37 -0.55 -0.08 2.44 2.96 -0.27 -5.01 118.68 115.81 3k1k s LEU 18 Ca 0.10 0.55 0.02 0.00 -0.22 0.00 0.00 54.13 54.58 3k1k s LEU 18 Cb -0.07 2.30 0.01 0.00 0.50 0.00 0.00 46.19 48.93 3k1k s LEU 18 CO 0.05 -0.54 -0.13 -0.60 -1.32 0.00 0.00 176.35 173.80 3k1k s ARG 19 N -1.37 1.88 0.09 1.98 3.52 -1.26 0.07 118.95 123.86 3k1k s ARG 19 Ca -0.07 -0.47 0.02 0.00 -0.13 0.00 0.00 55.73 55.09 3k1k s ARG 19 Cb -0.00 -1.55 -0.04 0.00 -1.56 0.00 0.00 34.95 31.79 3k1k s ARG 19 CO 0.05 0.02 0.16 -0.51 -0.81 0.00 0.00 175.30 174.21 3k1k s LEU 20 N 0.72 4.10 0.06 -0.88 1.43 -0.25 -4.66 118.68 119.20 3k1k s LEU 20 Ca -0.13 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.18 3k1k s LEU 20 Cb -0.16 -2.73 -0.03 0.00 0.03 0.00 0.00 46.19 43.31 3k1k s LEU 20 CO 0.03 0.15 -0.26 -0.44 0.23 0.00 0.00 176.35 176.06 3k1k s SER 21 N -2.59 3.10 -0.31 2.29 0.01 0.10 -1.09 113.70 115.21 3k1k s SER 21 Ca 0.32 -0.62 0.02 0.00 1.31 0.00 0.00 55.95 56.98 3k1k s SER 21 Cb -0.12 -0.26 0.09 0.00 0.21 0.00 0.00 66.02 65.94 3k1k s SER 21 CO 0.25 0.23 0.05 0.00 0.41 0.00 0.00 173.24 174.18 3k1k s ALA 23 N 1.24 3.55 -0.12 0.00 0.00 0.48 -1.26 121.76 125.64 3k1k s ALA 23 Ca 0.08 -0.02 -0.04 0.00 0.00 0.00 0.00 51.96 51.99 3k1k s ALA 23 Cb -0.18 -3.23 -0.03 0.00 0.00 0.00 0.00 23.12 19.67 3k1k s ALA 23 CO -0.14 -0.71 0.01 0.00 0.00 0.00 0.00 175.76 174.92 3k1k s ALA 24 N 2.30 3.27 0.06 0.00 0.00 -0.69 -1.42 121.76 125.29 3k1k s ALA 24 Ca 0.37 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.61 3k1k s ALA 24 Cb -0.16 -1.60 -0.03 0.00 0.00 0.00 0.00 23.12 21.33 3k1k s ALA 24 CO 0.11 0.43 -0.19 0.45 0.00 0.00 0.00 175.76 176.57 3k1k s SER 25 N -0.38 2.23 0.00 0.00 0.15 -0.57 -4.83 113.70 110.30 3k1k s SER 25 Ca 0.08 -0.56 0.00 0.00 0.70 0.00 0.00 55.95 56.17 3k1k s SER 25 Cb -0.12 -0.15 0.00 0.00 -1.71 0.00 0.00 66.02 64.04 3k1k s SER 25 CO 0.02 0.08 0.00 0.61 1.20 0.00 0.00 173.24 175.15 3k1k n GLY 26 N 1.62 0.42 3.41 9.45 0.00 -1.23 -1.20 105.19 117.65 3k1k n GLY 26 Ca -0.18 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.70 3k1k n GLY 26 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3k1k s PHE 27 N -2.12 -0.46 -0.34 1.61 -0.12 -1.26 -4.71 117.98 110.57 3k1k s PHE 27 Ca 0.00 0.45 -0.25 0.00 -0.05 0.00 0.00 56.93 57.08 3k1k s PHE 27 Cb 0.00 0.41 0.01 0.00 -0.63 0.00 0.00 43.02 42.81 3k1k s PHE 27 CO 0.00 -0.71 0.85 -1.25 -0.05 0.00 0.00 175.22 174.07 3k1k s PRO 28 N -2.84 3.88 0.66 1.99 0.05 -1.26 -4.95 135.00 132.54 3k1k s PRO 28 Ca -0.03 0.56 0.21 0.00 0.05 0.00 0.00 61.00 61.79 3k1k s PRO 28 Cb -0.00 -3.77 1.17 0.00 0.05 0.00 0.00 34.50 31.94 3k1k s PRO 28 CO -0.05 -0.82 1.66 0.28 0.05 0.00 0.00 177.00 178.12 3k1k h VAL 29 N 5.72 0.00 -0.73 -0.36 2.07 -1.89 0.12 116.25 121.18 3k1k h VAL 29 Ca -0.24 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.28 3k1k h VAL 29 Cb 1.09 0.48 0.00 0.00 -1.52 0.00 0.00 31.29 31.33 3k1k h VAL 29 CO 0.93 0.00 0.00 -0.46 0.02 0.00 0.00 177.57 178.06 3k1k n ASN 30 N -2.78 4.15 -0.07 0.57 6.94 -1.26 -3.86 115.26 118.94 3k1k n ASN 30 Ca -0.01 -2.08 0.03 0.00 -0.02 0.00 0.00 54.58 52.49 3k1k n ASN 30 Cb 0.56 -0.52 -0.01 0.00 -2.36 0.00 0.00 39.78 37.45 3k1k n ASN 30 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3k1k n ARG 31 N 1.59 3.60 -4.23 -3.83 5.12 0.03 -4.60 116.66 114.33 3k1k n ARG 31 Ca 0.25 -0.26 -0.17 0.00 -1.93 0.00 0.00 57.85 55.74 3k1k n ARG 31 Cb 0.68 -0.86 -0.14 0.00 -1.16 0.00 0.00 32.46 30.98 3k1k n ARG 31 CO 0.00 0.00 0.00 0.71 -1.93 0.00 0.00 177.63 176.41 3k1k s TYR 32 N -1.18 0.60 0.52 -1.55 2.02 -1.23 -4.88 117.35 111.65 3k1k s TYR 32 Ca 0.03 -0.12 -0.21 0.00 -0.37 0.00 0.00 57.07 56.40 3k1k s TYR 32 Cb 0.04 -0.39 -0.06 0.00 -0.40 0.00 0.00 41.96 41.16 3k1k s TYR 32 CO 0.17 -0.01 1.23 -1.54 -1.57 0.00 0.00 175.55 173.83 3k1k s SER 33 N -0.19 5.66 0.07 2.29 1.04 -1.26 -4.45 113.70 116.85 3k1k s SER 33 Ca 0.02 2.46 0.01 0.00 0.48 0.00 0.00 55.95 58.93 3k1k s SER 33 Cb -0.03 -2.61 -0.04 0.00 0.10 0.00 0.00 66.02 63.45 3k1k s SER 33 CO -0.00 -1.28 -0.06 -0.04 0.98 0.00 0.00 173.24 172.84 3k1k s MET 34 N -2.92 0.68 0.01 4.02 -1.94 -1.04 -4.54 119.30 113.57 3k1k s MET 34 Ca 0.69 -1.12 -0.05 0.00 -1.71 0.00 0.00 55.69 53.51 3k1k s MET 34 Cb -0.32 -0.14 -0.01 0.00 2.01 0.00 0.00 34.83 36.37 3k1k s MET 34 CO 0.38 -0.02 0.08 1.03 -0.01 0.00 0.00 175.02 176.48 3k1k s ARG 35 N -3.11 0.42 -0.09 2.03 0.52 -0.89 -1.64 118.95 116.20 3k1k s ARG 35 Ca 0.04 -0.46 -0.01 0.00 -0.52 0.00 0.00 55.73 54.78 3k1k s ARG 35 Cb 0.01 0.17 -0.03 0.00 0.52 0.00 0.00 34.95 35.62 3k1k s ARG 35 CO -0.04 -0.09 -0.04 -1.58 0.02 0.00 0.00 175.30 173.57 3k1k s TRP 36 N -1.38 3.04 0.36 -0.53 0.52 0.18 -1.28 118.94 119.86 3k1k s TRP 36 Ca -0.15 0.06 0.08 0.00 0.02 0.00 0.00 56.10 56.11 3k1k s TRP 36 Cb -0.08 -1.77 -0.07 0.00 -1.15 0.00 0.00 33.47 30.40 3k1k s TRP 36 CO 0.01 0.35 -0.03 0.71 0.02 0.00 0.00 176.95 178.00 3k1k s TYR 37 N -0.71 2.35 0.05 -1.98 2.02 0.50 -0.00 117.35 119.58 3k1k s TYR 37 Ca 0.11 -0.64 -0.02 0.00 -0.37 0.00 0.00 57.07 56.16 3k1k s TYR 37 Cb -0.11 -1.50 -0.03 0.00 -0.40 0.00 0.00 41.96 39.91 3k1k s TYR 37 CO 0.02 0.44 -0.01 -0.98 -1.57 0.00 0.00 175.55 173.45 3k1k s ARG 38 N -3.69 0.59 -0.12 -0.62 1.70 -0.35 -0.65 118.95 115.80 3k1k s ARG 38 Ca 0.34 -1.10 -0.04 0.00 -0.47 0.00 0.00 55.73 54.46 3k1k s ARG 38 Cb 0.06 0.21 0.05 0.00 -0.57 0.00 0.00 34.95 34.70 3k1k s ARG 38 CO 0.16 -0.12 0.09 -1.14 -1.08 0.00 0.00 175.30 173.22 3k1k s GLN 39 N -3.54 0.02 0.49 3.89 0.74 0.10 -1.20 119.66 120.16 3k1k s GLN 39 Ca 0.03 0.11 -0.17 0.00 0.05 0.00 0.00 55.36 55.39 3k1k s GLN 39 Cb 0.05 -1.30 -0.08 0.00 1.10 0.00 0.00 33.01 32.78 3k1k s GLN 39 CO -0.09 -0.54 0.95 0.00 -0.55 0.00 0.00 175.29 175.07 3k1k s ALA 40 N 2.17 3.10 0.22 1.58 0.00 -1.26 -1.78 121.76 125.78 3k1k s ALA 40 Ca 0.03 0.17 -0.30 0.00 0.00 0.00 0.00 51.96 51.86 3k1k s ALA 40 Cb -0.14 -3.08 -0.10 0.00 0.00 0.00 0.00 23.12 19.80 3k1k s ALA 40 CO -0.07 -0.15 1.45 -2.14 0.00 0.00 0.00 175.76 174.85 3k1k s PRO 41 N -3.91 4.27 0.00 0.00 0.02 -1.26 -2.40 135.00 131.72 3k1k s PRO 41 Ca 0.58 2.28 0.00 0.00 0.02 0.00 0.00 61.00 63.88 3k1k s PRO 41 Cb -0.10 -3.13 0.00 0.00 0.02 0.00 0.00 34.50 31.29 3k1k s PRO 41 CO 0.29 -0.44 0.00 0.41 -0.33 0.00 0.00 177.00 176.92 3k1k n GLY 42 N 2.60 2.89 3.93 0.52 0.00 -1.26 -5.03 105.19 108.84 3k1k n GLY 42 Ca 0.08 -0.75 -0.26 0.00 0.00 0.00 0.00 46.02 45.09 3k1k n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1k s LYS 43 N 0.00 1.96 0.48 1.61 1.02 -1.01 -5.07 119.74 118.73 3k1k s LYS 43 Ca 0.00 -0.28 -0.11 0.00 0.02 0.00 0.00 55.97 55.59 3k1k s LYS 43 Cb 0.00 -2.12 -0.06 0.00 -0.52 0.00 0.00 37.83 35.13 3k1k s LYS 43 CO 0.00 -1.43 0.87 -1.21 -0.92 0.00 0.00 175.35 172.66 3k1k s GLU 44 N -5.35 3.75 -0.42 1.68 2.02 -1.26 -4.64 118.70 114.48 3k1k s GLU 44 Ca 0.62 0.59 -0.28 0.00 0.02 0.00 0.00 54.97 55.92 3k1k s GLU 44 Cb -0.10 -2.27 -0.00 0.00 0.10 0.00 0.00 34.13 31.86 3k1k s GLU 44 CO 0.46 -0.21 1.59 0.50 0.02 0.00 0.00 175.26 177.62 3k1k s ARG 45 N -4.28 3.36 0.04 1.61 3.52 -1.26 -4.61 118.95 117.33 3k1k s ARG 45 Ca 0.53 1.01 -0.00 0.00 -0.13 0.00 0.00 55.73 57.14 3k1k s ARG 45 Cb -0.10 -4.13 -0.04 0.00 -1.56 0.00 0.00 34.95 29.11 3k1k s ARG 45 CO 0.37 -1.83 0.18 -1.83 -0.81 0.00 0.00 175.30 171.38 3k1k s GLU 46 N 5.47 3.33 0.20 5.12 -1.05 -0.34 -4.90 118.70 126.52 3k1k s GLU 46 Ca 0.67 -0.46 -0.31 0.00 -0.15 0.00 0.00 54.97 54.73 3k1k s GLU 46 Cb -0.16 -2.99 -0.10 0.00 -0.44 0.00 0.00 34.13 30.44 3k1k s GLU 46 CO 0.31 0.62 1.48 -0.46 0.95 0.00 0.00 175.26 178.16 3k1k s TRP 47 N -1.43 3.07 -0.11 4.83 -0.00 -1.26 -1.21 118.94 122.82 3k1k s TRP 47 Ca 0.32 0.86 -0.11 0.00 -0.00 0.00 0.00 56.10 57.18 3k1k s TRP 47 Cb -0.13 -3.84 -0.05 0.00 -0.00 0.00 0.00 33.47 29.45 3k1k s TRP 47 CO 0.24 -2.92 -0.22 0.28 -0.00 0.00 0.00 176.95 174.33 3k1k n VAL 48 N 3.16 1.25 -3.89 5.86 0.31 1.00 -4.63 118.33 121.40 3k1k n VAL 48 Ca 0.10 0.07 -0.09 0.00 -0.01 0.00 0.00 64.34 64.41 3k1k n VAL 48 Cb 0.40 -1.96 -0.06 0.00 -0.91 0.00 0.00 33.84 31.31 3k1k n VAL 48 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3k1k s ALA 49 N -2.49 -0.32 0.19 3.52 0.00 -0.93 -1.55 121.76 120.18 3k1k s ALA 49 Ca -0.21 -0.66 -0.21 0.00 0.00 0.00 0.00 51.96 50.88 3k1k s ALA 49 Cb 0.05 0.86 0.05 0.00 0.00 0.00 0.00 23.12 24.08 3k1k s ALA 49 CO 0.29 -0.71 0.60 0.20 0.00 0.00 0.00 175.76 176.14 3k1k s GLY 50 N -2.94 -0.40 0.00 0.00 0.00 -0.29 -0.65 107.32 103.04 3k1k s GLY 50 Ca 0.15 0.17 0.00 0.00 0.00 0.00 0.00 44.72 45.04 3k1k s GLY 50 CO -0.01 0.01 0.00 -0.13 0.00 0.00 0.00 173.10 172.97 3k1k n MET 51 N -0.38 1.04 -0.06 2.90 1.56 -0.65 -0.99 117.12 120.53 3k1k n MET 51 Ca -0.13 0.00 -0.22 0.00 -0.27 0.00 0.00 57.70 57.08 3k1k n MET 51 Cb 0.63 0.00 -0.12 0.00 2.15 0.00 0.00 33.22 35.88 3k1k n MET 51 CO 0.00 0.00 0.00 -1.13 -0.73 0.00 0.00 175.97 174.11 3k1k n SER 52 N 0.00 1.98 0.27 6.12 3.41 -1.26 -2.51 113.62 121.64 3k1k n SER 52 Ca 0.00 0.30 0.16 0.00 -0.26 0.00 0.00 58.87 59.07 3k1k n SER 52 Cb 0.00 -0.89 0.73 0.00 -0.26 0.00 0.00 64.21 63.79 3k1k n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3k1k h ALA 53 N -0.28 1.06 0.00 7.33 0.00 -1.92 -3.39 119.26 122.06 3k1k h ALA 53 Ca -0.42 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3k1k h ALA 53 Cb 1.65 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.43 3k1k h ALA 53 CO -0.10 0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.64 3k1k n GLY 54 N -0.25 0.82 0.08 0.00 0.00 -1.26 -4.95 105.19 99.62 3k1k n GLY 54 Ca -0.01 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3k1k n GLY 54 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3k1k n ASP 55 N 0.00 0.52 -3.95 1.61 5.75 -1.26 -4.79 116.55 114.43 3k1k n ASP 55 Ca 0.00 0.58 -0.16 0.00 -0.01 0.00 0.00 54.79 55.19 3k1k n ASP 55 Cb 0.00 -0.71 -0.15 0.00 -1.03 0.00 0.00 41.12 39.24 3k1k n ASP 55 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 3k1k s ARG 56 N -3.13 0.48 0.14 0.11 0.52 -1.26 -5.15 118.95 110.67 3k1k s ARG 56 Ca 0.09 -0.18 0.10 0.00 -0.52 0.00 0.00 55.73 55.22 3k1k s ARG 56 Cb 0.13 -0.48 -0.04 0.00 0.52 0.00 0.00 34.95 35.08 3k1k s ARG 56 CO 0.49 0.09 -0.22 -1.12 0.02 0.00 0.00 175.30 174.56 3k1k s SER 57 N 0.02 2.93 0.01 0.23 0.01 -1.26 -4.39 113.70 111.25 3k1k s SER 57 Ca 0.00 -0.78 -0.02 0.00 1.31 0.00 0.00 55.95 56.46 3k1k s SER 57 Cb -0.04 -0.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.00 3k1k s SER 57 CO -0.00 0.08 0.03 -0.44 0.41 0.00 0.00 173.24 173.32 3k1k s SER 58 N -2.26 0.12 0.07 2.44 0.01 -0.16 -5.00 113.70 108.92 3k1k s SER 58 Ca 0.13 -0.29 0.02 0.00 1.31 0.00 0.00 55.95 57.12 3k1k s SER 58 Cb -0.09 0.13 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 3k1k s SER 58 CO 0.06 -0.26 -0.08 -0.31 0.41 0.00 0.00 173.24 173.07 3k1k s TYR 59 N -1.12 0.79 0.35 2.43 2.02 -1.26 -1.14 117.35 119.41 3k1k s TYR 59 Ca -0.12 -0.68 -0.27 0.00 -0.37 0.00 0.00 57.07 55.63 3k1k s TYR 59 Cb -0.07 -0.46 -0.09 0.00 -0.40 0.00 0.00 41.96 40.93 3k1k s TYR 59 CO -0.00 -0.11 1.10 -1.83 -1.57 0.00 0.00 175.55 173.14 3k1k s GLU 60 N -2.56 4.34 0.32 -0.62 -1.05 -0.59 -4.86 118.70 113.68 3k1k s GLU 60 Ca -0.00 1.72 0.11 0.00 -0.15 0.00 0.00 54.97 56.64 3k1k s GLU 60 Cb -0.03 -2.85 0.94 0.00 -0.44 0.00 0.00 34.13 31.75 3k1k s GLU 60 CO -0.02 -0.03 1.70 -0.44 0.95 0.00 0.00 175.26 177.42 3k1k h ASP 61 N 3.10 0.54 0.53 0.83 3.32 -1.95 -0.26 116.42 122.53 3k1k h ASP 61 Ca -0.48 0.16 0.00 0.00 0.02 0.00 0.00 57.03 56.74 3k1k h ASP 61 Cb 1.22 0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.86 3k1k h ASP 61 CO 0.64 -0.02 0.00 -1.54 -1.72 0.00 0.00 179.24 176.61 3k1k n SER 62 N -4.99 0.00 0.00 6.45 3.41 -1.26 -2.75 113.62 114.48 3k1k n SER 62 Ca 0.28 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 59.30 3k1k n SER 62 Cb 0.83 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 3k1k n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 3k1k n VAL 63 N -1.46 0.00 -1.58 -3.33 0.24 -0.16 -5.00 118.33 107.04 3k1k n VAL 63 Ca 0.05 -0.47 -0.47 0.00 -2.04 0.00 0.00 64.34 61.40 3k1k n VAL 63 Cb 0.19 1.01 -0.03 0.00 -1.47 0.00 0.00 33.84 33.54 3k1k n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3k1k n LYS 64 N -0.73 1.21 -0.82 7.34 5.02 -0.87 -1.29 118.16 128.03 3k1k n LYS 64 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 3k1k n LYS 64 Cb 0.00 -1.88 0.00 0.00 -0.02 0.00 0.00 35.03 33.13 3k1k n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3k1k n GLY 65 N 1.81 1.21 0.00 0.72 0.00 -1.26 -4.75 105.19 102.91 3k1k n GLY 65 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 3k1k n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3k1k n ARG 66 N -2.00 1.74 -4.68 1.61 1.74 -0.41 -5.03 116.66 109.64 3k1k n ARG 66 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 3k1k n ARG 66 Cb 0.00 -0.95 -0.13 0.00 -1.02 0.00 0.00 32.46 30.35 3k1k n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3k1k s PHE 67 N -1.85 2.45 -0.05 -1.55 0.40 -1.02 -0.60 117.98 115.76 3k1k s PHE 67 Ca 0.00 -0.32 0.01 0.00 -0.60 0.00 0.00 56.93 56.02 3k1k s PHE 67 Cb 0.00 -1.40 0.02 0.00 0.51 0.00 0.00 43.02 42.15 3k1k s PHE 67 CO 0.00 0.23 -0.07 0.99 0.70 0.00 0.00 175.22 177.08 3k1k s THR 68 N -0.92 0.71 -0.11 0.64 2.01 0.95 -4.91 115.64 114.01 3k1k s THR 68 Ca 0.14 -0.23 -0.09 0.00 0.31 0.00 0.00 61.69 61.82 3k1k s THR 68 Cb -0.10 -0.70 -0.05 0.00 0.01 0.00 0.00 72.50 71.66 3k1k s THR 68 CO 0.05 0.26 0.21 -0.51 -0.69 0.00 0.00 174.62 173.94 3k1k s ILE 69 N 0.84 5.38 0.29 1.82 2.07 -1.26 -0.16 121.20 130.18 3k1k s ILE 69 Ca -0.12 0.36 -0.06 0.00 -1.41 0.00 0.00 60.65 59.42 3k1k s ILE 69 Cb -0.15 -3.49 -0.01 0.00 0.13 0.00 0.00 42.46 38.94 3k1k s ILE 69 CO 0.01 0.57 0.42 -0.94 -1.91 0.00 0.00 174.94 173.09 3k1k s SER 70 N -0.74 0.42 -0.08 4.50 1.04 -0.96 -5.01 113.70 112.87 3k1k s SER 70 Ca 0.16 -1.27 -0.09 0.00 0.48 0.00 0.00 55.95 55.24 3k1k s SER 70 Cb -0.13 0.59 0.02 0.00 0.10 0.00 0.00 66.02 66.60 3k1k s SER 70 CO 0.05 -1.17 0.24 0.00 0.98 0.00 0.00 173.24 173.35 3k1k s ARG 71 N -3.58 0.32 -0.48 4.02 1.70 -1.26 -0.07 118.95 119.59 3k1k s ARG 71 Ca 0.29 0.28 -0.16 0.00 -0.47 0.00 0.00 55.73 55.67 3k1k s ARG 71 Cb 0.01 0.15 0.07 0.00 -0.57 0.00 0.00 34.95 34.61 3k1k s ARG 71 CO 0.15 -0.05 0.44 0.34 -1.08 0.00 0.00 175.30 175.10 3k1k s ASP 72 N -0.01 6.16 0.36 -2.89 -1.08 -0.85 -4.97 116.67 113.40 3k1k s ASP 72 Ca -0.01 -1.23 0.04 0.00 -0.52 0.00 0.00 52.55 50.82 3k1k s ASP 72 Cb -0.02 -2.20 0.70 0.00 -1.46 0.00 0.00 42.92 39.94 3k1k s ASP 72 CO 0.01 -0.69 1.99 0.44 0.52 0.00 0.00 175.17 177.44 3k1k h ASP 73 N 8.80 0.68 -0.17 -0.34 3.32 -1.97 -1.39 116.42 125.35 3k1k h ASP 73 Ca -0.28 -0.01 -0.20 0.00 0.02 0.00 0.00 57.03 56.56 3k1k h ASP 73 Cb 1.11 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.50 3k1k h ASP 73 CO 0.89 0.47 -0.64 0.00 -1.72 0.00 0.00 179.24 178.24 3k1k h ALA 74 N 1.62 0.45 -0.05 3.45 0.00 -1.95 -2.33 119.26 120.43 3k1k h ALA 74 Ca 0.26 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3k1k h ALA 74 Cb 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3k1k h ALA 74 CO -0.07 0.69 0.00 0.54 0.00 0.00 0.00 179.25 180.41 3k1k n ARG 75 N -3.97 1.46 -4.03 0.00 1.74 -1.10 -4.95 116.66 105.83 3k1k n ARG 75 Ca -0.05 -0.68 -0.27 0.00 -0.77 0.00 0.00 57.85 56.08 3k1k n ARG 75 Cb 0.67 -1.43 -0.03 0.00 -1.02 0.00 0.00 32.46 30.65 3k1k n ARG 75 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 3k1k n ASN 76 N -0.14 -0.22 -4.15 0.55 5.15 -0.55 -4.81 115.26 111.09 3k1k n ASN 76 Ca 0.18 -1.05 -0.19 0.00 -0.60 0.00 0.00 54.58 52.92 3k1k n ASN 76 Cb 0.26 -2.80 -0.12 0.00 -0.53 0.00 0.00 39.78 36.59 3k1k n ASN 76 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3k1k s THR 77 N -4.00 1.08 -0.00 -0.44 2.01 -1.03 -1.69 115.64 111.56 3k1k s THR 77 Ca 0.03 -1.17 0.08 0.00 0.31 0.00 0.00 61.69 60.94 3k1k s THR 77 Cb -0.02 -1.02 -0.02 0.00 0.01 0.00 0.00 72.50 71.45 3k1k s THR 77 CO 0.91 -0.14 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.77 3k1k s VAL 78 N -1.10 2.29 0.19 3.82 1.01 -0.39 -2.00 120.40 124.22 3k1k s VAL 78 Ca -0.01 -1.13 0.11 0.00 0.00 0.00 0.00 61.98 60.95 3k1k s VAL 78 Cb -0.09 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 3k1k s VAL 78 CO 0.02 0.50 -0.23 -0.31 0.00 0.00 0.00 175.10 175.08 3k1k s TYR 79 N -0.71 2.21 -0.27 5.22 2.02 0.89 0.03 117.35 126.75 3k1k s TYR 79 Ca 0.11 -0.38 0.02 0.00 -0.37 0.00 0.00 57.07 56.46 3k1k s TYR 79 Cb -0.10 -1.09 0.07 0.00 -0.40 0.00 0.00 41.96 40.44 3k1k s TYR 79 CO 0.01 0.48 -0.04 -1.17 -1.57 0.00 0.00 175.55 173.26 3k1k s LEU 80 N -2.72 3.26 -0.18 -1.29 2.96 -0.25 -2.25 118.68 118.22 3k1k s LEU 80 Ca 0.20 -1.47 -0.24 0.00 -0.22 0.00 0.00 54.13 52.41 3k1k s LEU 80 Cb -0.07 -1.37 -0.02 0.00 0.50 0.00 0.00 46.19 45.23 3k1k s LEU 80 CO 0.10 -0.26 0.76 -1.58 -1.32 0.00 0.00 176.35 174.04 3k1k s GLN 81 N 1.22 4.26 -0.11 1.98 2.00 0.78 -1.09 119.66 128.69 3k1k s GLN 81 Ca -0.03 0.87 0.01 0.00 -2.00 0.00 0.00 55.36 54.21 3k1k s GLN 81 Cb -0.19 -3.58 -0.02 0.00 0.80 0.00 0.00 33.01 30.03 3k1k s GLN 81 CO -0.07 -0.30 -0.14 -1.64 -0.50 0.00 0.00 175.29 172.64 3k1k s MET 82 N 2.07 3.19 0.30 1.67 -1.94 0.11 -0.04 119.30 124.66 3k1k s MET 82 Ca 0.35 -0.69 0.05 0.00 -1.71 0.00 0.00 55.69 53.68 3k1k s MET 82 Cb -0.16 -2.57 -0.06 0.00 2.01 0.00 0.00 34.83 34.05 3k1k s MET 82 CO 0.11 0.30 -0.01 -0.80 -0.01 0.00 0.00 175.02 174.62 3k1k s ASN 82 N 0.12 2.58 -1.38 3.03 -0.87 0.23 -1.11 114.94 117.55 3k1k s ASN 82 Ca -0.06 -1.27 -0.01 0.00 -1.57 0.00 0.00 52.86 49.95 3k1k s ASN 82 Cb -0.15 -0.13 0.00 0.00 -0.02 0.00 0.00 41.25 40.95 3k1k s ASN 82 CO 0.05 -0.46 0.54 -1.20 -2.57 0.00 0.00 177.10 173.45 3k1k n SER 82 N -0.62 -0.77 -4.71 -1.22 7.64 -1.11 -4.72 113.62 108.11 3k1k n SER 82 Ca -0.04 -0.93 -0.42 0.00 1.01 0.00 0.00 58.87 58.49 3k1k n SER 82 Cb 0.65 -3.45 -0.03 0.00 -1.01 0.00 0.00 64.21 60.37 3k1k n SER 82 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3k1k s LEU 82 N -6.87 4.37 0.02 -3.43 1.43 -1.03 -4.69 118.68 108.49 3k1k s LEU 82 Ca 0.03 2.55 0.01 0.00 -1.03 0.00 0.00 54.13 55.69 3k1k s LEU 82 Cb -0.01 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.58 3k1k s LEU 82 CO 0.86 -0.83 0.07 -0.54 0.23 0.00 0.00 176.35 176.13 3k1k s LYS 83 N 1.64 2.95 0.57 1.70 1.02 -1.26 -0.20 119.74 126.15 3k1k s LYS 83 Ca 0.71 -0.58 0.30 0.00 0.02 0.00 0.00 55.97 56.42 3k1k s LYS 83 Cb -0.42 -2.78 1.45 0.00 -0.52 0.00 0.00 37.83 35.56 3k1k s LYS 83 CO 0.31 0.62 1.86 -1.35 -0.92 0.00 0.00 175.35 175.87 3k1k h PRO 84 N 3.88 0.00 0.00 -1.68 0.11 -1.96 0.67 132.00 133.03 3k1k h PRO 84 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3k1k h PRO 84 Cb 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3k1k h PRO 84 CO 0.62 0.00 0.00 0.93 -0.21 0.00 0.00 178.00 179.34 3k1k h GLU 85 N 0.00 0.00 -0.00 1.05 5.08 -1.94 -2.26 114.58 116.50 3k1k h GLU 85 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 3k1k h GLU 85 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.75 3k1k h GLU 85 CO -0.00 0.00 -0.02 -0.25 -1.00 0.00 0.00 179.01 177.74 3k1k n ASP 86 N -3.01 0.07 -4.70 1.42 8.00 0.23 -4.87 116.55 113.70 3k1k n ASP 86 Ca -0.01 -0.25 -0.42 0.00 0.71 0.00 0.00 54.79 54.81 3k1k n ASP 86 Cb 0.16 -0.24 -0.03 0.00 -0.02 0.00 0.00 41.12 40.99 3k1k n ASP 86 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3k1k s THR 87 N -2.53 2.57 0.00 -3.53 2.01 -0.85 -4.89 115.64 108.42 3k1k s THR 87 Ca 0.29 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.50 3k1k s THR 87 Cb 0.20 -3.13 0.00 0.00 0.01 0.00 0.00 72.50 69.58 3k1k s THR 87 CO 0.46 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.40 3k1k n ALA 88 N 5.11 0.00 -2.70 7.40 0.00 -0.72 -4.47 120.51 125.12 3k1k n ALA 88 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.23 3k1k n ALA 88 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 3k1k n ALA 88 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3k1k s VAL 89 N -2.00 5.27 -0.11 0.00 1.01 -0.73 -1.28 120.40 122.56 3k1k s VAL 89 Ca 0.00 0.59 -0.06 0.00 0.00 0.00 0.00 61.98 62.51 3k1k s VAL 89 Cb 0.00 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.68 3k1k s VAL 89 CO 0.00 0.34 0.12 -0.31 0.00 0.00 0.00 175.10 175.25 3k1k s TYR 90 N 0.79 3.52 0.03 5.22 1.51 -0.17 -0.72 117.35 127.53 3k1k s TYR 90 Ca 0.17 0.46 0.04 0.00 -1.01 0.00 0.00 57.07 56.74 3k1k s TYR 90 Cb -0.14 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 3k1k s TYR 90 CO 0.05 0.69 -0.13 0.71 -1.11 0.00 0.00 175.55 175.76 3k1k s TYR 91 N -1.02 1.16 0.43 2.71 2.02 0.18 -1.09 117.35 121.74 3k1k s TYR 91 Ca 0.15 -0.32 0.08 0.00 -0.37 0.00 0.00 57.07 56.61 3k1k s TYR 91 Cb -0.12 -0.70 -0.02 0.00 -0.40 0.00 0.00 41.96 40.72 3k1k s TYR 91 CO 0.05 0.02 0.39 0.00 -1.57 0.00 0.00 175.55 174.44 3k1k s ASN 93 N -4.15 -0.77 0.11 0.00 3.84 -0.40 -2.46 114.94 111.11 3k1k s ASN 93 Ca 0.48 1.46 -0.18 0.00 0.21 0.00 0.00 52.86 54.83 3k1k s ASN 93 Cb -0.03 1.46 0.04 0.00 -0.55 0.00 0.00 41.25 42.17 3k1k s ASN 93 CO 0.28 -0.25 0.43 0.54 -2.79 0.00 0.00 177.10 175.31 3k1k s VAL 94 N 0.49 0.06 -0.21 -5.21 0.11 -0.99 -2.09 120.40 112.56 3k1k s VAL 94 Ca -0.01 -0.47 0.01 0.00 -2.93 0.00 0.00 61.98 58.58 3k1k s VAL 94 Cb -0.05 -1.09 0.05 0.00 -1.53 0.00 0.00 36.38 33.75 3k1k s VAL 94 CO -0.01 -0.26 -0.10 0.21 -3.33 0.00 0.00 175.10 171.61 3k1k s ASN 95 N -2.57 3.53 -0.50 3.54 3.84 -1.26 -0.74 114.94 120.78 3k1k s ASN 95 Ca 0.00 -0.96 0.03 0.00 0.21 0.00 0.00 52.86 52.15 3k1k s ASN 95 Cb 0.01 -1.26 0.16 0.00 -0.55 0.00 0.00 41.25 39.61 3k1k s ASN 95 CO -0.09 -0.16 0.34 -0.69 -2.79 0.00 0.00 177.10 173.71 3k1k s VAL 96 N 1.37 1.41 0.00 -5.21 1.01 -1.26 -4.87 120.40 112.85 3k1k s VAL 96 Ca -0.02 -3.03 0.00 0.00 0.00 0.00 0.00 61.98 58.93 3k1k s VAL 96 Cb -0.17 -1.96 0.00 0.00 0.00 0.00 0.00 36.38 34.25 3k1k s VAL 96 CO -0.08 -1.04 0.00 0.61 0.00 0.00 0.00 175.10 174.59 3k1k n GLY 97 N 2.90 2.29 3.85 4.51 0.00 -1.26 -4.84 105.19 112.63 3k1k n GLY 97 Ca 0.19 -0.01 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3k1k n GLY 97 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3k1k s PHE 98 N 0.00 2.52 0.17 1.61 0.08 -1.26 -5.11 117.98 115.98 3k1k s PHE 98 Ca 0.00 -0.57 -0.30 0.00 0.12 0.00 0.00 56.93 56.19 3k1k s PHE 98 Cb 0.00 -2.09 -0.07 0.00 -0.57 0.00 0.00 43.02 40.29 3k1k s PHE 98 CO 0.00 -0.11 0.94 -2.00 -0.10 0.00 0.00 175.22 173.96 3k1k s GLU 101 N -4.10 4.76 0.05 0.44 2.12 -1.26 -4.40 118.70 116.31 3k1k s GLU 101 Ca 0.45 1.45 0.08 0.00 0.36 0.00 0.00 54.97 57.31 3k1k s GLU 101 Cb -0.01 -3.33 -0.03 0.00 0.26 0.00 0.00 34.13 31.02 3k1k s GLU 101 CO 0.26 0.35 -0.23 0.71 -0.54 0.00 0.00 175.26 175.81 3k1k s TYR 102 N -0.52 1.98 0.19 5.30 2.02 0.08 -4.97 117.35 121.44 3k1k s TYR 102 Ca 0.44 -0.39 0.11 0.00 -0.37 0.00 0.00 57.07 56.86 3k1k s TYR 102 Cb -0.24 -1.18 -0.04 0.00 -0.40 0.00 0.00 41.96 40.09 3k1k s TYR 102 CO 0.31 0.11 -0.21 -1.58 -1.57 0.00 0.00 175.55 172.60 3k1k s TRP 103 N -0.81 2.36 0.80 2.71 0.52 -1.26 -2.34 118.94 120.92 3k1k s TRP 103 Ca 0.09 -0.33 -0.11 0.00 0.02 0.00 0.00 56.10 55.76 3k1k s TRP 103 Cb -0.09 -1.16 0.18 0.00 -1.15 0.00 0.00 33.47 31.25 3k1k s TRP 103 CO 0.02 0.51 1.10 0.41 0.02 0.00 0.00 176.95 179.01 3k1k n GLY 104 N 0.19 -0.94 0.11 0.98 0.00 -1.03 -4.59 105.19 99.90 3k1k n GLY 104 Ca -0.12 -1.78 0.13 0.00 0.00 0.00 0.00 46.02 44.25 3k1k n GLY 104 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 3k1k h GLN 105 N 0.00 0.00 0.00 1.61 -0.00 -1.94 -3.46 115.11 111.33 3k1k h GLN 105 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 3k1k h GLN 105 Cb 1.05 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.53 3k1k h GLN 105 CO 0.28 0.00 0.00 0.41 -0.00 0.00 0.00 178.83 179.52 3k1k n GLY 106 N 1.29 -0.02 3.13 0.06 0.00 -1.26 -5.04 105.19 103.35 3k1k n GLY 106 Ca 0.05 -1.53 -0.26 0.00 0.00 0.00 0.00 46.02 44.29 3k1k n GLY 106 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3k1k s THR 107 N -2.70 1.39 -0.21 2.61 -1.32 -0.25 -4.83 115.64 110.33 3k1k s THR 107 Ca 0.00 -0.69 -0.29 0.00 -1.21 0.00 0.00 61.69 59.50 3k1k s THR 107 Cb 0.00 -1.20 0.00 0.00 -1.51 0.00 0.00 72.50 69.80 3k1k s THR 107 CO 0.00 0.40 1.01 -1.58 -2.21 0.00 0.00 174.62 172.24 3k1k s GLN 108 N 0.05 4.28 -0.24 7.08 2.00 -1.26 -1.00 119.66 130.57 3k1k s GLN 108 Ca -0.04 1.32 -0.06 0.00 -2.00 0.00 0.00 55.36 54.59 3k1k s GLN 108 Cb -0.11 -3.62 -0.01 0.00 0.80 0.00 0.00 33.01 30.06 3k1k s GLN 108 CO 0.02 -0.56 0.02 0.08 -0.50 0.00 0.00 175.29 174.34 3k1k s VAL 109 N 2.95 3.81 -0.23 1.34 1.01 -0.41 -1.83 120.40 127.05 3k1k s VAL 109 Ca 0.44 -0.39 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3k1k s VAL 109 Cb -0.16 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.46 3k1k s VAL 109 CO 0.08 0.35 -0.08 -0.89 0.00 0.00 0.00 175.10 174.56 3k1k s THR 110 N 1.54 2.86 -0.64 3.92 2.01 -0.71 -1.76 115.64 122.85 3k1k s THR 110 Ca 0.06 -0.89 -0.15 0.00 0.31 0.00 0.00 61.69 61.02 3k1k s THR 110 Cb -0.15 -2.38 0.16 0.00 0.01 0.00 0.00 72.50 70.14 3k1k s THR 110 CO 0.00 0.31 0.59 -0.69 -0.69 0.00 0.00 174.62 174.13 3k1k s VAL 111 N 1.35 5.29 0.00 3.82 1.01 -1.26 -0.68 120.40 129.93 3k1k s VAL 111 Ca 0.02 -1.87 0.00 0.00 0.00 0.00 0.00 61.98 60.14 3k1k s VAL 111 Cb -0.15 -4.35 0.00 0.00 0.00 0.00 0.00 36.38 31.88 3k1k s VAL 111 CO -0.06 -0.92 0.19 -0.24 0.00 0.00 0.00 175.10 174.07