#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kz1 s ILE 4 N 0.00 2.11 -0.09 0.00 1.01 -1.08 -5.05 121.20 118.09 3kz1 s ILE 4 Ca 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 60.65 59.43 3kz1 s ILE 4 Cb 0.00 -1.76 -0.03 0.00 0.01 0.00 0.00 42.46 40.68 3kz1 s ILE 4 CO 0.00 0.50 -0.04 -0.13 0.00 0.00 0.00 174.94 175.27 3kz1 s ARG 5 N -0.85 3.05 0.01 2.79 0.52 -1.26 -1.44 118.95 121.76 3kz1 s ARG 5 Ca 0.11 -0.49 0.00 0.00 -0.52 0.00 0.00 55.73 54.83 3kz1 s ARG 5 Cb -0.10 -2.74 -0.01 0.00 0.52 0.00 0.00 34.95 32.62 3kz1 s ARG 5 CO 0.00 0.58 -0.02 0.15 0.02 0.00 0.00 175.30 176.03 3kz1 s LYS 6 N -0.56 0.20 -0.15 3.54 -0.14 -0.25 -4.96 119.74 117.42 3kz1 s LYS 6 Ca 0.09 -0.38 -0.03 0.00 -1.36 0.00 0.00 55.97 54.29 3kz1 s LYS 6 Cb -0.12 0.05 -0.02 0.00 -1.68 0.00 0.00 37.83 36.06 3kz1 s LYS 6 CO 0.02 -0.03 -0.07 0.21 -0.76 0.00 0.00 175.35 174.73 3kz1 s LYS 7 N -0.89 3.57 -0.05 1.68 2.20 -1.26 -1.98 119.74 123.00 3kz1 s LYS 7 Ca -0.10 -0.58 0.06 0.00 -0.36 0.00 0.00 55.97 55.00 3kz1 s LYS 7 Cb -0.06 -2.84 -0.01 0.00 -1.51 0.00 0.00 37.83 33.41 3kz1 s LYS 7 CO -0.01 0.20 -0.24 -0.48 -0.36 0.00 0.00 175.35 174.47 3kz1 s LEU 8 N 0.43 2.04 -0.09 5.43 0.05 -0.28 -0.86 118.68 125.40 3kz1 s LEU 8 Ca -0.06 -0.48 0.03 0.00 0.05 0.00 0.00 54.13 53.67 3kz1 s LEU 8 Cb -0.15 -1.30 -0.01 0.00 -2.05 0.00 0.00 46.19 42.68 3kz1 s LEU 8 CO 0.03 0.23 -0.18 -0.69 -0.55 0.00 0.00 176.35 175.20 3kz1 s VAL 9 N -0.14 2.67 -0.16 1.48 1.01 -1.05 -0.77 120.40 123.44 3kz1 s VAL 9 Ca -0.03 -0.83 -0.04 0.00 0.00 0.00 0.00 61.98 61.09 3kz1 s VAL 9 Cb -0.13 -2.06 -0.03 0.00 0.00 0.00 0.00 36.38 34.16 3kz1 s VAL 9 CO 0.03 0.56 -0.04 -0.51 0.00 0.00 0.00 175.10 175.14 3kz1 s ILE 10 N -0.01 3.89 0.14 2.22 2.07 -0.95 -1.01 121.20 127.55 3kz1 s ILE 10 Ca -0.06 -0.36 0.05 0.00 -1.41 0.00 0.00 60.65 58.87 3kz1 s ILE 10 Cb -0.15 -2.71 -0.04 0.00 0.13 0.00 0.00 42.46 39.69 3kz1 s ILE 10 CO 0.05 0.49 -0.11 0.68 -1.91 0.00 0.00 174.94 174.14 3kz1 s VAL 11 N 0.41 1.19 0.00 4.00 -7.23 -0.22 -3.79 120.40 114.76 3kz1 s VAL 11 Ca -0.04 -1.99 0.00 0.00 -1.81 0.00 0.00 61.98 58.14 3kz1 s VAL 11 Cb -0.14 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.02 3kz1 s VAL 11 CO 0.03 -0.69 0.00 0.61 -0.31 0.00 0.00 175.10 174.74 3kz1 n GLY 12 N -0.06 1.41 3.71 2.32 0.00 -1.26 -0.33 105.19 110.98 3kz1 n GLY 12 Ca -0.11 -1.34 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 3kz1 n GLY 12 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3kz1 s ASP 13 N 0.00 3.61 0.31 1.61 1.11 -1.26 -4.16 116.67 117.88 3kz1 s ASP 13 Ca 0.00 2.11 -0.28 0.00 0.18 0.00 0.00 52.55 54.56 3kz1 s ASP 13 Cb 0.00 -2.56 -0.13 0.00 1.07 0.00 0.00 42.92 41.30 3kz1 s ASP 13 CO 0.00 -2.65 1.20 0.61 1.18 0.00 0.00 175.17 175.51 3kz1 n GLY 14 N -0.17 0.29 2.36 0.21 0.00 -1.22 -2.21 105.19 104.45 3kz1 n GLY 14 Ca 0.11 0.34 -0.17 0.00 0.00 0.00 0.00 46.02 46.30 3kz1 n GLY 14 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz1 n ALA 15 N 0.45 -0.40 1.45 4.61 0.00 -1.26 -4.85 120.51 120.50 3kz1 n ALA 15 Ca 0.07 0.23 0.12 0.00 0.00 0.00 0.00 53.44 53.86 3kz1 n ALA 15 Cb 0.34 -1.80 0.47 0.00 0.00 0.00 0.00 19.45 18.46 3kz1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3kz1 n GLY 17 N 1.09 1.87 0.07 0.00 0.00 -1.26 -4.23 105.19 102.73 3kz1 n GLY 17 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3kz1 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3kz1 h LYS 18 N 0.00 -0.01 -0.15 1.61 1.57 -1.90 -2.95 116.57 114.73 3kz1 h LYS 18 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3kz1 h LYS 18 Cb 0.00 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.31 3kz1 h LYS 18 CO 0.00 0.78 0.07 1.15 -0.57 0.00 0.00 179.45 180.88 3kz1 h THR 19 N -0.85 1.13 -0.84 -0.16 2.02 -1.96 -3.02 112.91 109.23 3kz1 h THR 19 Ca -0.00 -0.38 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3kz1 h THR 19 Cb 0.80 1.11 -0.05 0.00 -1.74 0.00 0.00 68.15 68.27 3kz1 h THR 19 CO 0.00 0.12 0.53 0.00 0.37 0.00 0.00 175.52 176.55 3kz1 h LEU 21 N 1.03 0.64 -0.15 0.00 5.85 -1.47 -1.31 115.31 119.89 3kz1 h LEU 21 Ca 0.34 -0.06 -0.21 0.00 0.84 0.00 0.00 57.88 58.79 3kz1 h LEU 21 Cb 0.04 -0.16 0.01 0.00 0.37 0.00 0.00 40.66 40.92 3kz1 h LEU 21 CO -0.13 0.55 -0.74 -0.07 -0.34 0.00 0.00 178.44 177.71 3kz1 h LEU 22 N 0.71 0.91 -0.33 2.25 4.07 -1.33 -3.00 115.31 118.59 3kz1 h LEU 22 Ca 0.18 -0.63 -0.13 0.00 0.08 0.00 0.00 57.88 57.38 3kz1 h LEU 22 Cb 0.08 -0.27 -0.01 0.00 1.08 0.00 0.00 40.66 41.54 3kz1 h LEU 22 CO -0.02 1.39 -0.31 0.40 -1.08 0.00 0.00 178.44 178.82 3kz1 h ILE 23 N 0.49 1.29 -0.66 1.22 2.04 -1.12 0.21 117.51 120.99 3kz1 h ILE 23 Ca -0.05 -1.47 0.01 0.00 1.00 0.00 0.00 64.86 64.35 3kz1 h ILE 23 Cb 1.37 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 38.89 3kz1 h ILE 23 CO 0.15 0.48 0.43 0.58 0.00 0.00 0.00 178.15 179.80 3kz1 h VAL 24 N 0.57 1.17 -0.26 1.67 2.07 -1.21 0.66 116.25 120.92 3kz1 h VAL 24 Ca 0.06 -0.30 -0.15 0.00 0.82 0.00 0.00 66.70 67.12 3kz1 h VAL 24 Cb 0.88 0.20 -0.00 0.00 -1.52 0.00 0.00 31.29 30.85 3kz1 h VAL 24 CO 0.08 0.16 -0.43 0.15 0.02 0.00 0.00 177.57 177.55 3kz1 h PHE 25 N 0.89 0.94 0.13 1.57 3.57 -1.36 0.16 116.94 122.84 3kz1 h PHE 25 Ca 0.24 -0.33 -0.30 0.00 3.53 0.00 0.00 57.97 61.12 3kz1 h PHE 25 Cb -0.10 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.46 3kz1 h PHE 25 CO -0.03 1.12 -1.54 0.66 -2.23 0.00 0.00 178.31 176.29 3kz1 h SER 26 N 0.50 0.42 0.42 0.41 4.64 -0.37 -3.38 113.55 116.19 3kz1 h SER 26 Ca 0.02 -0.87 -0.05 0.00 -0.47 0.00 0.00 61.79 60.42 3kz1 h SER 26 Cb 1.03 -0.14 -0.01 0.00 -0.31 0.00 0.00 62.40 62.98 3kz1 h SER 26 CO 0.10 1.68 -1.62 0.29 -0.87 0.00 0.00 176.83 176.40 3kz1 n LYS 27 N -3.82 0.64 -0.93 4.77 5.02 0.23 -4.98 118.16 119.08 3kz1 n LYS 27 Ca -0.26 -0.02 0.00 0.00 -2.02 0.00 0.00 58.31 56.01 3kz1 n LYS 27 Cb 0.95 -1.66 0.00 0.00 -0.02 0.00 0.00 35.03 34.30 3kz1 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 3kz1 n ASP 28 N -2.52 -1.83 -4.50 4.39 2.03 0.58 -4.99 116.55 109.71 3kz1 n ASP 28 Ca -0.06 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.97 3kz1 n ASP 28 Cb 0.64 -0.97 -0.11 0.00 -0.72 0.00 0.00 41.12 39.96 3kz1 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3kz1 s GLN 29 N -0.40 1.82 -0.27 -0.67 -2.07 -1.26 -4.93 119.66 111.89 3kz1 s GLN 29 Ca 0.00 -1.23 -0.11 0.00 -1.82 0.00 0.00 55.36 52.20 3kz1 s GLN 29 Cb 0.00 -2.10 -0.05 0.00 -1.09 0.00 0.00 33.01 29.77 3kz1 s GLN 29 CO 0.00 0.46 0.18 0.12 -1.32 0.00 0.00 175.29 174.73 3kz1 s PHE 30 N -1.33 3.21 0.29 9.60 5.36 -1.26 -3.22 117.98 130.64 3kz1 s PHE 30 Ca 0.20 0.07 -0.29 0.00 -0.96 0.00 0.00 56.93 55.95 3kz1 s PHE 30 Cb -0.10 -2.36 -0.09 0.00 -0.34 0.00 0.00 43.02 40.13 3kz1 s PHE 30 CO 0.11 -0.16 1.07 -1.25 -1.46 0.00 0.00 175.22 173.53 3kz1 s PRO 31 N 1.69 4.60 -0.23 10.12 0.04 -1.26 -4.98 135.00 144.97 3kz1 s PRO 31 Ca 0.07 1.72 0.06 0.00 0.04 0.00 0.00 61.00 62.89 3kz1 s PRO 31 Cb -0.16 -3.10 -0.18 0.00 0.04 0.00 0.00 34.50 31.10 3kz1 s PRO 31 CO 0.10 0.20 -0.15 0.39 0.04 0.00 0.00 177.00 177.58 3kz1 n GLU 32 N 1.04 0.68 -2.67 4.56 -0.58 -1.26 -4.86 120.64 117.55 3kz1 n GLU 32 Ca -0.00 0.11 -0.41 0.00 -0.42 0.00 0.00 57.16 56.43 3kz1 n GLU 32 Cb 0.46 -1.49 -0.04 0.00 -0.57 0.00 0.00 31.44 29.79 3kz1 n GLU 32 CO 0.00 0.00 0.00 0.08 -0.48 0.00 0.00 177.13 176.73 3kz1 s VAL 33 N -2.49 4.27 -0.33 2.62 1.01 -1.26 -5.02 120.40 119.20 3kz1 s VAL 33 Ca -0.27 1.95 -0.24 0.00 0.00 0.00 0.00 61.98 63.42 3kz1 s VAL 33 Cb 0.08 -4.24 0.01 0.00 0.00 0.00 0.00 36.38 32.22 3kz1 s VAL 33 CO 0.62 0.33 0.82 -0.47 0.00 0.00 0.00 175.10 176.41 3kz1 s TYR 34 N -0.23 3.16 -0.26 5.22 5.04 -1.26 -5.04 117.35 123.99 3kz1 s TYR 34 Ca 0.47 0.77 -0.01 0.00 -2.44 0.00 0.00 57.07 55.85 3kz1 s TYR 34 Cb -0.25 -3.35 0.03 0.00 0.35 0.00 0.00 41.96 38.74 3kz1 s TYR 34 CO 0.31 -0.66 -0.06 0.08 -1.34 0.00 0.00 175.55 173.89 3kz1 s VAL 35 N 3.11 2.81 -0.02 3.14 1.01 -1.26 -5.08 120.40 124.10 3kz1 s VAL 35 Ca 0.34 -1.14 -0.30 0.00 0.00 0.00 0.00 61.98 60.88 3kz1 s VAL 35 Cb -0.13 -2.48 -0.07 0.00 0.00 0.00 0.00 36.38 33.70 3kz1 s VAL 35 CO 0.15 0.13 1.87 -2.84 0.00 0.00 0.00 175.10 174.40 3kz1 s PRO 36 N 1.29 4.07 0.26 2.72 0.02 -1.26 -4.94 135.00 137.17 3kz1 s PRO 36 Ca -0.02 2.39 -0.30 0.00 0.02 0.00 0.00 61.00 63.10 3kz1 s PRO 36 Cb -0.17 -4.11 -0.10 0.00 0.02 0.00 0.00 34.50 30.13 3kz1 s PRO 36 CO -0.04 -1.02 1.33 0.99 -0.33 0.00 0.00 177.00 177.93 3kz1 s THR 37 N 4.62 2.92 -0.17 0.99 2.01 -1.26 -4.95 115.64 119.79 3kz1 s THR 37 Ca 0.84 0.82 -0.12 0.00 0.31 0.00 0.00 61.69 63.54 3kz1 s THR 37 Cb -0.38 -3.53 -0.07 0.00 0.01 0.00 0.00 72.50 68.53 3kz1 s THR 37 CO 0.37 0.16 -0.27 0.52 -0.69 0.00 0.00 174.62 174.70 3kz1 n VAL 38 N 1.82 1.27 -3.64 3.82 0.31 -1.26 -4.16 118.33 116.48 3kz1 n VAL 38 Ca 0.04 -0.11 -0.06 0.00 -0.01 0.00 0.00 64.34 64.20 3kz1 n VAL 38 Cb 0.42 -1.93 -0.07 0.00 -0.91 0.00 0.00 33.84 31.35 3kz1 n VAL 38 CO 0.00 0.00 0.00 0.12 -1.32 0.00 0.00 176.83 175.63 3kz1 s PHE 39 N -2.50 -1.04 -0.05 3.52 2.19 -1.26 -4.03 117.98 114.81 3kz1 s PHE 39 Ca -0.27 2.05 -0.12 0.00 0.33 0.00 0.00 56.93 58.92 3kz1 s PHE 39 Cb 0.08 0.62 0.02 0.00 -1.31 0.00 0.00 43.02 42.43 3kz1 s PHE 39 CO 0.36 -0.51 0.28 -1.21 1.83 0.00 0.00 175.22 175.96 3kz1 s GLU 40 N 1.68 0.53 -0.11 10.12 0.41 -1.15 -5.05 118.70 125.13 3kz1 s GLU 40 Ca -0.10 -0.00 0.02 0.00 -0.41 0.00 0.00 54.97 54.48 3kz1 s GLU 40 Cb -0.05 0.24 0.01 0.00 -1.78 0.00 0.00 34.13 32.55 3kz1 s GLU 40 CO -0.19 -0.12 -0.18 1.21 -0.49 0.00 0.00 175.26 175.49 3kz1 s ASN 41 N -0.80 2.61 0.20 -0.19 3.04 -1.26 -1.39 114.94 117.14 3kz1 s ASN 41 Ca -0.09 -0.47 0.04 0.00 0.04 0.00 0.00 52.86 52.38 3kz1 s ASN 41 Cb -0.04 -1.18 -0.05 0.00 -1.54 0.00 0.00 41.25 38.43 3kz1 s ASN 41 CO 0.02 0.05 -0.03 -0.31 -3.04 0.00 0.00 177.10 173.80 3kz1 s TYR 42 N 0.81 1.45 0.07 0.43 2.02 0.13 -5.01 117.35 117.27 3kz1 s TYR 42 Ca -0.10 -0.88 0.07 0.00 -0.37 0.00 0.00 57.07 55.79 3kz1 s TYR 42 Cb -0.16 -0.81 -0.03 0.00 -0.40 0.00 0.00 41.96 40.56 3kz1 s TYR 42 CO 0.01 -0.01 -0.18 0.54 -1.57 0.00 0.00 175.55 174.33 3kz1 s VAL 43 N -3.41 1.45 -0.04 0.71 0.11 -1.26 0.49 120.40 118.45 3kz1 s VAL 43 Ca 0.25 -1.34 -0.18 0.00 -2.93 0.00 0.00 61.98 57.77 3kz1 s VAL 43 Cb 0.05 -1.32 0.04 0.00 -1.53 0.00 0.00 36.38 33.61 3kz1 s VAL 43 CO 0.06 -0.06 0.41 0.00 -3.33 0.00 0.00 175.10 172.18 3kz1 s ALA 44 N -1.09 -1.04 -0.03 1.54 0.00 0.03 -4.86 121.76 116.32 3kz1 s ALA 44 Ca 0.03 0.67 0.01 0.00 0.00 0.00 0.00 51.96 52.67 3kz1 s ALA 44 Cb -0.09 -0.05 -0.03 0.00 0.00 0.00 0.00 23.12 22.94 3kz1 s ALA 44 CO 0.03 -0.28 -0.02 -0.51 0.00 0.00 0.00 175.76 174.99 3kz1 s ASP 45 N -1.08 5.02 0.01 0.00 1.01 -1.26 -0.87 116.67 119.50 3kz1 s ASP 45 Ca -0.11 0.01 -0.10 0.00 0.71 0.00 0.00 52.55 53.06 3kz1 s ASP 45 Cb -0.04 -1.32 0.01 0.00 1.01 0.00 0.00 42.92 42.59 3kz1 s ASP 45 CO 0.05 0.32 0.21 -0.51 0.21 0.00 0.00 175.17 175.44 3kz1 s ILE 46 N -0.98 0.08 -0.12 0.77 2.07 -0.97 -5.03 121.20 117.02 3kz1 s ILE 46 Ca 0.17 -0.67 -0.00 0.00 -1.41 0.00 0.00 60.65 58.74 3kz1 s ILE 46 Cb -0.11 -0.60 -0.02 0.00 0.13 0.00 0.00 42.46 41.86 3kz1 s ILE 46 CO 0.07 -0.37 -0.11 -0.70 -1.91 0.00 0.00 174.94 171.92 3kz1 s GLU 47 N -1.63 3.26 -0.09 3.50 2.12 -1.26 -2.28 118.70 122.32 3kz1 s GLU 47 Ca -0.12 -0.65 -0.03 0.00 0.36 0.00 0.00 54.97 54.53 3kz1 s GLU 47 Cb -0.05 -2.64 0.05 0.00 0.26 0.00 0.00 34.13 31.74 3kz1 s GLU 47 CO 0.01 0.31 0.16 0.08 -0.54 0.00 0.00 175.26 175.29 3kz1 s VAL 48 N 0.11 -0.26 -1.54 3.70 1.01 -1.05 -4.89 120.40 117.48 3kz1 s VAL 48 Ca -0.05 0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.21 3kz1 s VAL 48 Cb -0.14 -0.32 0.01 0.00 0.00 0.00 0.00 36.38 35.93 3kz1 s VAL 48 CO 0.04 0.12 0.48 0.47 0.00 0.00 0.00 175.10 176.22 3kz1 n ASP 49 N 5.32 -5.70 -1.93 3.32 8.00 -1.26 -2.27 116.55 122.04 3kz1 n ASP 49 Ca -0.05 -0.24 -0.11 0.00 0.71 0.00 0.00 54.79 55.10 3kz1 n ASP 49 Cb 0.50 -4.64 0.04 0.00 -0.02 0.00 0.00 41.12 36.99 3kz1 n ASP 49 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kz1 n GLY 50 N -1.38 0.22 2.89 0.44 0.00 -1.26 -5.05 105.19 101.05 3kz1 n GLY 50 Ca -0.12 -0.25 -0.14 0.00 0.00 0.00 0.00 46.02 45.52 3kz1 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kz1 s LYS 51 N -5.56 0.06 -0.09 1.61 1.02 -0.96 -5.14 119.74 110.68 3kz1 s LYS 51 Ca 0.27 0.31 -0.19 0.00 0.02 0.00 0.00 55.97 56.37 3kz1 s LYS 51 Cb -0.12 -0.18 -0.04 0.00 -0.52 0.00 0.00 37.83 36.97 3kz1 s LYS 51 CO 0.33 -0.16 0.53 -1.14 -0.92 0.00 0.00 175.35 173.99 3kz1 s GLN 52 N 1.07 4.33 -0.04 1.68 2.00 -1.26 -2.53 119.66 124.91 3kz1 s GLN 52 Ca -0.08 0.56 0.01 0.00 -2.00 0.00 0.00 55.36 53.84 3kz1 s GLN 52 Cb -0.11 -3.41 0.02 0.00 0.80 0.00 0.00 33.01 30.31 3kz1 s GLN 52 CO -0.05 0.20 -0.02 0.08 -0.50 0.00 0.00 175.29 175.00 3kz1 s VAL 53 N 0.44 0.35 -0.08 1.34 1.01 -0.96 -2.62 120.40 119.87 3kz1 s VAL 53 Ca 0.28 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.05 3kz1 s VAL 53 Cb -0.16 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.76 3kz1 s VAL 53 CO 0.13 0.19 0.58 -0.70 0.00 0.00 0.00 175.10 175.30 3kz1 s GLU 54 N 1.00 4.37 -0.23 2.72 2.12 -0.52 -2.30 118.70 125.87 3kz1 s GLU 54 Ca -0.10 0.66 0.02 0.00 0.36 0.00 0.00 54.97 55.91 3kz1 s GLU 54 Cb -0.14 -3.43 0.05 0.00 0.26 0.00 0.00 34.13 30.87 3kz1 s GLU 54 CO -0.01 0.15 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.57 3kz1 s LEU 55 N 0.58 2.89 -0.19 2.70 2.96 -0.05 -1.10 118.68 126.48 3kz1 s LEU 55 Ca 0.31 -1.15 -0.20 0.00 -0.22 0.00 0.00 54.13 52.87 3kz1 s LEU 55 Cb -0.17 -1.43 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 3kz1 s LEU 55 CO 0.14 -0.16 0.61 0.00 -1.32 0.00 0.00 176.35 175.63 3kz1 s ALA 56 N 1.23 3.54 -0.37 5.97 0.00 -0.84 -0.79 121.76 130.50 3kz1 s ALA 56 Ca -0.05 -0.29 -0.16 0.00 0.00 0.00 0.00 51.96 51.47 3kz1 s ALA 56 Cb -0.18 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 20.00 3kz1 s ALA 56 CO -0.07 -0.52 0.37 -0.51 0.00 0.00 0.00 175.76 175.03 3kz1 s LEU 57 N 1.82 4.64 -0.39 0.00 1.43 0.18 -1.13 118.68 125.23 3kz1 s LEU 57 Ca 0.28 -0.44 -0.14 0.00 -1.03 0.00 0.00 54.13 52.80 3kz1 s LEU 57 Cb -0.16 -2.33 0.01 0.00 0.03 0.00 0.00 46.19 43.75 3kz1 s LEU 57 CO 0.10 -0.42 0.27 0.26 0.23 0.00 0.00 176.35 176.79 3kz1 s TRP 58 N 2.01 3.24 -0.04 0.29 0.52 0.05 -0.69 118.94 124.32 3kz1 s TRP 58 Ca 0.11 -0.60 -0.17 0.00 0.02 0.00 0.00 56.10 55.46 3kz1 s TRP 58 Cb -0.17 -2.53 -0.05 0.00 -1.15 0.00 0.00 33.47 29.57 3kz1 s TRP 58 CO 0.12 -0.56 0.47 0.34 0.02 0.00 0.00 176.95 177.35 3kz1 s ASP 59 N 1.66 6.80 0.36 2.95 2.15 -0.49 -2.25 116.67 127.86 3kz1 s ASP 59 Ca 0.05 0.95 0.07 0.00 0.43 0.00 0.00 52.55 54.05 3kz1 s ASP 59 Cb -0.19 -2.29 -0.07 0.00 -0.30 0.00 0.00 42.92 40.07 3kz1 s ASP 59 CO 0.09 0.16 -0.02 0.42 -0.17 0.00 0.00 175.17 175.65 3kz1 s THR 60 N -0.27 1.91 -0.10 1.71 -4.23 -1.25 -2.95 115.64 110.47 3kz1 s THR 60 Ca 0.26 -2.07 -0.21 0.00 -1.18 0.00 0.00 61.69 58.49 3kz1 s THR 60 Cb -0.16 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.83 3kz1 s THR 60 CO 0.13 -0.10 0.59 0.00 -0.54 0.00 0.00 174.62 174.71 3kz1 s ALA 61 N -2.80 3.41 -0.33 3.99 0.00 -1.26 -4.82 121.76 119.96 3kz1 s ALA 61 Ca 0.34 -0.03 0.22 0.00 0.00 0.00 0.00 51.96 52.49 3kz1 s ALA 61 Cb 0.07 -2.81 0.16 0.00 0.00 0.00 0.00 23.12 20.53 3kz1 s ALA 61 CO 0.16 -0.08 1.32 0.78 0.00 0.00 0.00 175.76 177.95 3kz1 h GLY 62 N 6.82 0.00 -1.77 0.00 0.00 -1.82 -3.46 103.07 102.84 3kz1 h GLY 62 Ca -0.40 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.42 3kz1 h GLY 62 CO 0.76 0.00 0.39 1.20 0.00 0.00 0.00 176.54 178.88 3kz1 s GLN 63 N -3.26 2.84 0.20 4.80 -0.21 -1.26 -3.43 119.66 119.34 3kz1 s GLN 63 Ca 0.03 1.46 -0.04 0.00 0.02 0.00 0.00 55.36 56.83 3kz1 s GLN 63 Cb 0.07 -1.95 0.15 0.00 1.00 0.00 0.00 33.01 32.28 3kz1 s GLN 63 CO 0.73 -1.23 1.56 1.49 -2.12 0.00 0.00 175.29 175.72 3kz1 h GLU 64 N 0.20 0.65 -0.20 2.91 4.81 -2.02 -2.92 114.58 118.01 3kz1 h GLU 64 Ca -0.47 -0.34 0.06 0.00 -0.13 0.00 0.00 59.36 58.47 3kz1 h GLU 64 Cb 1.25 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.64 3kz1 h GLU 64 CO 0.54 0.95 0.18 -0.44 -0.73 0.00 0.00 179.01 179.51 3kz1 h ASP 65 N 0.53 0.00 -0.60 1.04 3.45 -1.99 -1.50 116.42 117.35 3kz1 h ASP 65 Ca 0.04 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.50 3kz1 h ASP 65 Cb 0.94 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.71 3kz1 h ASP 65 CO 0.08 0.00 0.00 -1.22 -1.57 0.00 0.00 179.24 176.53 3kz1 n TYR 66 N -4.05 0.92 -0.34 4.55 4.01 -1.10 -4.43 117.16 116.71 3kz1 n TYR 66 Ca 0.02 -0.53 0.11 0.00 -0.16 0.00 0.00 57.90 57.34 3kz1 n TYR 66 Cb 0.32 -0.05 0.24 0.00 -0.31 0.00 0.00 39.34 39.53 3kz1 n TYR 66 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 3kz1 h ASP 67 N 3.58 -0.60 0.40 7.72 3.45 -1.33 0.09 116.42 129.74 3kz1 h ASP 67 Ca 0.00 0.28 -0.03 0.00 0.43 0.00 0.00 57.03 57.71 3kz1 h ASP 67 Cb 1.01 0.51 -0.00 0.00 -0.56 0.00 0.00 39.33 40.29 3kz1 h ASP 67 CO 0.04 -0.34 -0.13 0.08 -1.57 0.00 0.00 179.24 177.32 3kz1 h ARG 68 N 0.01 0.00 0.00 3.56 0.11 -1.83 -2.39 114.38 113.84 3kz1 h ARG 68 Ca 0.55 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.39 3kz1 h ARG 68 Cb 1.05 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.09 3kz1 h ARG 68 CO -0.93 0.13 -1.30 -0.07 0.10 0.00 0.00 179.97 177.90 3kz1 h LEU 69 N 0.00 0.00 -1.00 0.08 3.38 -1.31 -3.38 115.31 113.07 3kz1 h LEU 69 Ca -0.00 0.00 0.09 0.00 0.09 0.00 0.00 57.88 58.06 3kz1 h LEU 69 Cb 0.37 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 3kz1 h LEU 69 CO 0.02 0.94 0.64 -0.09 0.09 0.00 0.00 178.44 180.04 3kz1 h ARG 70 N 0.00 1.06 0.00 1.13 2.43 -1.01 -2.34 114.38 115.65 3kz1 h ARG 70 Ca -0.14 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.97 3kz1 h ARG 70 Cb 1.84 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 31.15 3kz1 h ARG 70 CO 0.10 0.70 0.00 -2.30 -1.51 0.00 0.00 179.97 176.96 3kz1 n PRO 71 N -4.56 0.04 0.17 0.20 -0.02 -1.26 -1.37 135.00 128.21 3kz1 n PRO 71 Ca 0.17 0.47 0.13 0.00 -2.02 0.00 0.00 63.50 62.25 3kz1 n PRO 71 Cb 0.26 -1.60 0.41 0.00 -0.02 0.00 0.00 33.50 32.54 3kz1 n PRO 71 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3kz1 h LEU 72 N 0.00 0.00 0.00 2.45 3.38 -1.71 -3.15 115.31 116.28 3kz1 h LEU 72 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3kz1 h LEU 72 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3kz1 h LEU 72 CO 0.00 0.00 -1.01 -1.20 0.09 0.00 0.00 178.44 176.32 3kz1 n SER 73 N -2.64 0.70 0.15 -0.43 7.64 -0.47 -4.46 113.62 114.11 3kz1 n SER 73 Ca 0.04 0.14 0.01 0.00 1.01 0.00 0.00 58.87 60.07 3kz1 n SER 73 Cb 0.39 0.59 0.32 0.00 -1.01 0.00 0.00 64.21 64.50 3kz1 n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 3kz1 h TYR 74 N 0.00 0.10 -0.39 1.43 0.05 -1.65 -3.42 116.97 113.09 3kz1 h TYR 74 Ca 0.00 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.79 3kz1 h TYR 74 Cb 0.89 -0.03 -0.05 0.00 1.01 0.00 0.00 36.73 38.56 3kz1 h TYR 74 CO 0.00 0.44 -0.23 -2.30 -1.05 0.00 0.00 178.16 175.02 3kz1 n PRO 75 N -4.09 -0.17 -2.27 4.88 -0.02 -1.26 -3.05 135.00 129.01 3kz1 n PRO 75 Ca -0.02 1.00 -0.31 0.00 -2.02 0.00 0.00 63.50 62.16 3kz1 n PRO 75 Cb 0.41 -1.49 0.01 0.00 -0.02 0.00 0.00 33.50 32.42 3kz1 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3kz1 n ASP 76 N -3.88 5.57 -4.72 2.55 8.00 -1.26 -5.03 116.55 117.78 3kz1 n ASP 76 Ca 0.01 -3.76 -0.41 0.00 0.71 0.00 0.00 54.79 51.34 3kz1 n ASP 76 Cb 0.10 -0.63 -0.04 0.00 -0.02 0.00 0.00 41.12 40.53 3kz1 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 3kz1 s THR 77 N -5.34 4.65 -0.14 -3.53 2.01 -1.17 -4.73 115.64 107.40 3kz1 s THR 77 Ca 0.50 2.01 0.14 0.00 0.31 0.00 0.00 61.69 64.65 3kz1 s THR 77 Cb 0.41 -4.30 -0.24 0.00 0.01 0.00 0.00 72.50 68.39 3kz1 s THR 77 CO -0.23 0.27 0.30 0.47 -0.69 0.00 0.00 174.62 174.74 3kz1 n ASP 78 N 3.17 0.50 -3.68 3.53 8.00 -0.04 -4.96 116.55 123.07 3kz1 n ASP 78 Ca 0.03 0.17 -0.14 0.00 0.71 0.00 0.00 54.79 55.56 3kz1 n ASP 78 Cb 0.50 0.46 -0.08 0.00 -0.02 0.00 0.00 41.12 41.97 3kz1 n ASP 78 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3kz1 s VAL 79 N -2.54 0.00 -0.17 2.53 0.11 -1.00 -4.38 120.40 114.96 3kz1 s VAL 79 Ca -0.09 -0.03 -0.06 0.00 -2.93 0.00 0.00 61.98 58.87 3kz1 s VAL 79 Cb 0.07 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.11 3kz1 s VAL 79 CO 0.82 -0.02 0.02 -0.63 -3.33 0.00 0.00 175.10 171.96 3kz1 s ILE 80 N 0.06 4.42 -0.50 7.04 1.09 -0.90 -2.51 121.20 129.89 3kz1 s ILE 80 Ca -0.02 -0.17 -0.19 0.00 -1.10 0.00 0.00 60.65 59.17 3kz1 s ILE 80 Cb -0.04 -2.97 0.05 0.00 -1.06 0.00 0.00 42.46 38.44 3kz1 s ILE 80 CO 0.02 0.47 0.63 -0.76 -0.10 0.00 0.00 174.94 175.20 3kz1 s LEU 81 N 0.39 4.90 -0.26 2.97 1.43 -0.18 0.03 118.68 127.96 3kz1 s LEU 81 Ca 0.00 -0.85 -0.14 0.00 -1.03 0.00 0.00 54.13 52.12 3kz1 s LEU 81 Cb -0.13 -2.48 -0.04 0.00 0.03 0.00 0.00 46.19 43.57 3kz1 s LEU 81 CO 0.01 -0.89 0.31 -0.32 0.23 0.00 0.00 176.35 175.69 3kz1 s MET 82 N 2.68 4.02 0.17 1.70 -2.45 0.65 -1.06 119.30 125.02 3kz1 s MET 82 Ca 0.16 -0.06 0.10 0.00 -1.25 0.00 0.00 55.69 54.64 3kz1 s MET 82 Cb -0.19 -3.63 -0.04 0.00 1.25 0.00 0.00 34.83 32.22 3kz1 s MET 82 CO 0.13 -0.19 -0.17 0.00 1.05 0.00 0.00 175.02 175.84 3kz1 s PHE 84 N -1.59 0.38 0.01 0.00 -0.71 -0.43 -4.24 117.98 111.40 3kz1 s PHE 84 Ca 0.22 -0.78 -0.12 0.00 -1.04 0.00 0.00 56.93 55.21 3kz1 s PHE 84 Cb -0.09 -0.12 -0.05 0.00 -1.21 0.00 0.00 43.02 41.55 3kz1 s PHE 84 CO 0.12 -0.63 0.37 0.45 -1.34 0.00 0.00 175.22 174.19 3kz1 s SER 85 N -2.94 6.71 0.14 1.98 0.15 -1.26 -0.07 113.70 118.41 3kz1 s SER 85 Ca 0.14 0.85 0.03 0.00 0.70 0.00 0.00 55.95 57.66 3kz1 s SER 85 Cb 0.04 -2.20 -0.08 0.00 -1.71 0.00 0.00 66.02 62.07 3kz1 s SER 85 CO -0.04 0.29 1.33 0.40 1.20 0.00 0.00 173.24 176.42 3kz1 h ILE 86 N 3.49 1.54 0.00 6.45 2.04 -1.39 -3.27 117.51 126.37 3kz1 h ILE 86 Ca -0.51 -2.86 0.00 0.00 1.00 0.00 0.00 64.86 62.49 3kz1 h ILE 86 Cb 1.21 2.62 0.00 0.00 -0.74 0.00 0.00 36.82 39.91 3kz1 h ILE 86 CO 0.62 0.83 0.00 -0.90 0.00 0.00 0.00 178.15 178.70 3kz1 n ASP 87 N -3.57 0.62 -4.15 1.72 5.75 -1.26 -3.73 116.55 111.93 3kz1 n ASP 87 Ca -0.03 0.64 -0.34 0.00 -0.01 0.00 0.00 54.79 55.04 3kz1 n ASP 87 Cb 0.86 -0.77 -0.14 0.00 -1.03 0.00 0.00 41.12 40.04 3kz1 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 3kz1 s SER 88 N -4.15 4.52 0.08 -1.12 0.15 -1.23 -5.00 113.70 106.94 3kz1 s SER 88 Ca 0.06 -1.18 0.10 0.00 0.70 0.00 0.00 55.95 55.63 3kz1 s SER 88 Cb 0.10 -1.64 -0.18 0.00 -1.71 0.00 0.00 66.02 62.59 3kz1 s SER 88 CO 0.41 -0.19 1.06 1.55 1.20 0.00 0.00 173.24 177.27 3kz1 h PRO 89 N 7.93 0.00 -0.14 5.44 0.13 -1.82 -2.75 132.00 140.78 3kz1 h PRO 89 Ca -0.25 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 64.92 3kz1 h PRO 89 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 3kz1 h PRO 89 CO 0.53 0.72 0.14 -0.44 -0.23 0.00 0.00 178.00 178.72 3kz1 h ASP 90 N 0.00 0.00 -0.67 1.44 3.32 -1.94 -3.02 116.42 115.56 3kz1 h ASP 90 Ca -0.11 0.00 0.04 0.00 0.02 0.00 0.00 57.03 56.98 3kz1 h ASP 90 Cb 1.79 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 41.30 3kz1 h ASP 90 CO 0.10 0.00 0.44 -1.28 -1.72 0.00 0.00 179.24 176.78 3kz1 h SER 91 N 0.00 0.65 0.74 6.45 0.87 -1.80 -2.87 113.55 117.60 3kz1 h SER 91 Ca 0.07 -0.00 -0.25 0.00 -1.23 0.00 0.00 61.79 60.37 3kz1 h SER 91 Cb 0.34 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 3kz1 h SER 91 CO -0.00 0.44 -1.28 0.25 -0.53 0.00 0.00 176.83 175.71 3kz1 h LEU 92 N 0.75 0.13 -1.98 2.23 6.46 -1.68 -3.22 115.31 118.02 3kz1 h LEU 92 Ca 0.27 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.86 3kz1 h LEU 92 Cb 0.14 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3kz1 h LEU 92 CO -0.08 1.14 0.00 -0.33 -0.62 0.00 0.00 178.44 178.55 3kz1 h GLU 93 N 0.02 0.00 0.00 1.25 4.39 -1.60 -0.22 114.58 118.42 3kz1 h GLU 93 Ca -0.13 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.57 3kz1 h GLU 93 Cb 1.89 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 30.54 3kz1 h GLU 93 CO 0.14 0.00 -0.17 0.09 -1.16 0.00 0.00 179.01 177.91 3kz1 n ASN 94 N -2.79 0.33 0.26 1.42 3.02 -1.16 -3.30 115.26 113.05 3kz1 n ASN 94 Ca -0.01 0.32 -0.16 0.00 -0.03 0.00 0.00 54.58 54.70 3kz1 n ASN 94 Cb 0.14 -0.33 -0.08 0.00 -0.61 0.00 0.00 39.78 38.89 3kz1 n ASN 94 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 3kz1 h ILE 95 N 0.00 0.53 0.00 2.41 1.08 -1.12 -2.26 117.51 118.14 3kz1 h ILE 95 Ca 0.00 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 3kz1 h ILE 95 Cb 0.57 0.59 0.00 0.00 -3.07 0.00 0.00 36.82 34.91 3kz1 h ILE 95 CO 0.00 0.02 -0.28 -0.81 -0.69 0.00 0.00 178.15 176.39 3kz1 n PRO 96 N -5.33 0.12 -0.06 2.37 -0.04 -1.25 -1.58 135.00 129.23 3kz1 n PRO 96 Ca -0.11 0.06 -0.00 0.00 -0.04 0.00 0.00 63.50 63.40 3kz1 n PRO 96 Cb 0.28 -1.60 -0.16 0.00 -0.04 0.00 0.00 33.50 31.98 3kz1 n PRO 96 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 3kz1 n GLU 97 N -1.79 0.74 0.03 0.54 4.07 -1.21 -4.64 120.64 118.38 3kz1 n GLU 97 Ca 0.05 -0.09 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 3kz1 n GLU 97 Cb 0.38 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.26 3kz1 n GLU 97 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 3kz1 n LYS 98 N -2.50 0.00 0.01 5.31 4.81 -0.90 -4.87 118.16 120.02 3kz1 n LYS 98 Ca -0.19 0.00 -0.18 0.00 -0.87 0.00 0.00 58.31 57.07 3kz1 n LYS 98 Cb 0.87 -0.32 -0.11 0.00 0.02 0.00 0.00 35.03 35.48 3kz1 n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 3kz1 h TRP 99 N 0.00 0.68 0.20 5.64 4.06 -1.43 -2.19 115.95 122.91 3kz1 h TRP 99 Ca 0.00 -0.37 -0.01 0.00 2.06 0.00 0.00 58.89 60.57 3kz1 h TRP 99 Cb 0.45 -0.08 0.00 0.00 -1.00 0.00 0.00 29.16 28.53 3kz1 h TRP 99 CO 0.00 1.20 -0.09 1.15 -3.56 0.00 0.00 178.44 177.13 3kz1 h THR 100 N -0.03 0.85 -0.64 1.49 2.02 -1.55 0.13 112.91 115.18 3kz1 h THR 100 Ca -0.09 -0.21 0.11 0.00 0.77 0.00 0.00 66.41 66.99 3kz1 h THR 100 Cb 1.38 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 68.69 3kz1 h THR 100 CO 0.13 0.05 0.24 -0.65 0.37 0.00 0.00 175.52 175.66 3kz1 h PRO 101 N -0.37 0.40 -0.38 6.66 0.11 -1.81 0.22 132.00 136.83 3kz1 h PRO 101 Ca -0.03 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.04 3kz1 h PRO 101 Cb 0.28 -0.09 -0.02 0.00 0.11 0.00 0.00 31.00 31.29 3kz1 h PRO 101 CO 0.04 0.26 0.18 1.49 -0.21 0.00 0.00 178.00 179.77 3kz1 h GLU 102 N 0.41 0.55 -0.23 1.05 4.81 -1.12 -1.95 114.58 118.10 3kz1 h GLU 102 Ca 0.33 -0.08 -0.11 0.00 -0.13 0.00 0.00 59.36 59.37 3kz1 h GLU 102 Cb 0.44 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 3kz1 h GLU 102 CO -0.33 0.50 -0.29 0.28 -0.73 0.00 0.00 179.01 178.44 3kz1 h VAL 103 N 0.47 1.32 -0.10 0.32 2.07 -0.08 -2.36 116.25 117.88 3kz1 h VAL 103 Ca 0.13 -1.47 -0.08 0.00 0.82 0.00 0.00 66.70 66.10 3kz1 h VAL 103 Cb 0.13 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 31.62 3kz1 h VAL 103 CO -0.02 0.46 -0.29 0.11 0.02 0.00 0.00 177.57 177.86 3kz1 h LYS 104 N 0.30 0.19 0.67 1.57 1.79 -0.52 0.91 116.57 121.47 3kz1 h LYS 104 Ca 0.03 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.40 3kz1 h LYS 104 Cb 0.86 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.50 3kz1 h LYS 104 CO 0.07 0.46 -0.32 1.25 -1.08 0.00 0.00 179.45 179.83 3kz1 h HIS 105 N 0.17 -0.83 -0.00 -1.35 2.76 -1.21 -3.00 115.15 111.68 3kz1 h HIS 105 Ca 0.02 -0.02 -0.17 0.00 -2.20 0.00 0.00 60.37 58.01 3kz1 h HIS 105 Cb 0.60 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.81 3kz1 h HIS 105 CO 0.01 -0.52 -0.78 0.74 -1.30 0.00 0.00 177.93 176.07 3kz1 h PHE 106 N -1.14 0.07 -2.45 5.26 0.04 -1.32 -3.38 116.94 114.01 3kz1 h PHE 106 Ca -0.09 -0.03 -0.60 0.00 2.80 0.00 0.00 57.97 60.04 3kz1 h PHE 106 Cb 0.69 -0.01 -0.41 0.00 2.20 0.00 0.00 35.95 38.42 3kz1 h PHE 106 CO 0.02 0.81 -0.70 0.00 -0.60 0.00 0.00 178.31 177.84 3kz1 s PRO 108 N -1.75 3.14 0.00 0.00 0.04 -1.13 -3.16 135.00 132.14 3kz1 s PRO 108 Ca 0.34 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.94 3kz1 s PRO 108 Cb 0.08 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.64 3kz1 s PRO 108 CO -0.09 -1.01 0.00 0.09 0.04 0.00 0.00 177.00 176.03 3kz1 n ASN 109 N -1.67 -1.46 -4.68 6.66 3.02 -1.26 -4.91 115.26 110.96 3kz1 n ASN 109 Ca 0.11 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.26 3kz1 n ASN 109 Cb 0.51 -1.23 -0.05 0.00 -0.61 0.00 0.00 39.78 38.40 3kz1 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kz1 s VAL 110 N -0.25 4.95 0.54 2.41 1.01 -1.19 -5.01 120.40 122.85 3kz1 s VAL 110 Ca 0.00 1.49 -0.22 0.00 0.00 0.00 0.00 61.98 63.25 3kz1 s VAL 110 Cb 0.00 -4.07 -0.05 0.00 0.00 0.00 0.00 36.38 32.25 3kz1 s VAL 110 CO 0.00 0.09 1.38 -2.84 0.00 0.00 0.00 175.10 173.73 3kz1 s PRO 111 N 1.80 3.19 -0.08 2.72 0.02 -1.26 -4.82 135.00 136.57 3kz1 s PRO 111 Ca 0.36 2.29 0.04 0.00 0.02 0.00 0.00 61.00 63.71 3kz1 s PRO 111 Cb -0.17 -2.31 -0.00 0.00 0.02 0.00 0.00 34.50 32.05 3kz1 s PRO 111 CO 0.13 -1.17 -0.22 0.42 -0.33 0.00 0.00 177.00 175.83 3kz1 s ILE 112 N -1.28 1.90 -0.17 2.83 1.01 -1.26 -2.12 121.20 122.11 3kz1 s ILE 112 Ca 0.70 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 60.37 3kz1 s ILE 112 Cb -0.42 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.39 3kz1 s ILE 112 CO 0.50 0.53 -0.02 -0.63 0.00 0.00 0.00 174.94 175.31 3kz1 s ILE 113 N 0.23 3.92 -0.26 2.92 1.09 0.10 -0.55 121.20 128.65 3kz1 s ILE 113 Ca -0.14 -0.34 -0.18 0.00 -1.10 0.00 0.00 60.65 58.89 3kz1 s ILE 113 Cb -0.16 -2.74 -0.03 0.00 -1.06 0.00 0.00 42.46 38.48 3kz1 s ILE 113 CO 0.07 0.47 0.54 -0.22 -0.10 0.00 0.00 174.94 175.69 3kz1 s LEU 114 N 0.57 4.06 -0.20 2.97 2.96 -1.09 -0.26 118.68 127.70 3kz1 s LEU 114 Ca -0.02 0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 54.41 3kz1 s LEU 114 Cb -0.14 -2.70 -0.01 0.00 0.50 0.00 0.00 46.19 43.85 3kz1 s LEU 114 CO 0.02 -0.31 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.98 3kz1 s VAL 115 N 2.35 3.17 -0.24 1.68 1.01 0.85 -1.12 120.40 128.10 3kz1 s VAL 115 Ca 0.22 -0.57 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 3kz1 s VAL 115 Cb -0.16 -2.42 -0.02 0.00 0.00 0.00 0.00 36.38 33.79 3kz1 s VAL 115 CO 0.09 0.45 0.64 -0.83 0.00 0.00 0.00 175.10 175.46 3kz1 s GLY 116 N 1.26 1.87 0.21 4.51 0.00 0.12 -1.32 107.32 113.97 3kz1 s GLY 116 Ca 0.03 -0.37 0.06 0.00 0.00 0.00 0.00 44.72 44.44 3kz1 s GLY 116 CO -0.03 1.43 0.22 -1.31 0.00 0.00 0.00 173.10 173.41 3kz1 s ASN 117 N 1.38 5.78 -0.95 1.64 0.01 0.91 -0.76 114.94 122.95 3kz1 s ASN 117 Ca 0.27 -0.10 -0.03 0.00 -0.71 0.00 0.00 52.86 52.29 3kz1 s ASN 117 Cb -0.16 -1.57 -0.04 0.00 0.41 0.00 0.00 41.25 39.90 3kz1 s ASN 117 CO 0.09 -0.00 0.82 0.29 -1.51 0.00 0.00 177.10 176.78 3kz1 n LYS 118 N -0.92 -3.41 0.23 -0.60 5.02 -1.11 -1.20 118.16 116.16 3kz1 n LYS 118 Ca -0.08 0.74 0.07 0.00 -2.02 0.00 0.00 58.31 57.02 3kz1 n LYS 118 Cb 0.56 -5.29 0.56 0.00 -0.02 0.00 0.00 35.03 30.84 3kz1 n LYS 118 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 3kz1 h LYS 119 N -1.20 0.00 -0.12 1.97 1.57 -1.37 -3.11 116.57 114.31 3kz1 h LYS 119 Ca -0.52 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.26 3kz1 h LYS 119 Cb 1.28 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 3kz1 h LYS 119 CO 0.40 0.17 0.06 0.38 -0.57 0.00 0.00 179.45 179.89 3kz1 h ASP 120 N 0.00 0.13 -0.04 0.86 2.03 -1.92 -2.77 116.42 114.71 3kz1 h ASP 120 Ca -0.00 -0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.29 3kz1 h ASP 120 Cb 0.33 -0.03 0.00 0.00 -0.83 0.00 0.00 39.33 38.79 3kz1 h ASP 120 CO 0.02 0.11 0.00 0.18 -1.03 0.00 0.00 179.24 178.52 3kz1 n LEU 121 N -4.51 0.41 0.39 0.15 4.77 -1.17 -3.99 117.00 113.06 3kz1 n LEU 121 Ca -0.01 -0.17 -0.18 0.00 -0.03 0.00 0.00 56.01 55.61 3kz1 n LEU 121 Cb 0.09 -0.03 -0.09 0.00 -2.33 0.00 0.00 43.42 41.06 3kz1 n LEU 121 CO 0.35 0.09 0.62 -0.09 -1.33 0.00 0.00 177.39 177.02 3kz1 h ARG 122 N 0.55 -0.97 -0.63 3.23 9.65 -1.68 -3.26 114.38 121.26 3kz1 h ARG 122 Ca 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3kz1 h ARG 122 Cb 0.12 0.22 0.00 0.00 -1.39 0.00 0.00 29.97 28.92 3kz1 h ARG 122 CO 0.00 -0.65 0.00 0.09 2.80 0.00 0.00 179.97 182.21 3kz1 n ASN 123 N -5.53 5.21 -4.67 -3.80 3.02 -1.26 -4.88 115.26 103.35 3kz1 n ASN 123 Ca -0.14 -2.68 -0.42 0.00 -0.03 0.00 0.00 54.58 51.32 3kz1 n ASN 123 Cb 0.41 -0.63 -0.04 0.00 -0.61 0.00 0.00 39.78 38.91 3kz1 n ASN 123 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3kz1 s ASP 124 N -0.82 7.00 0.13 6.41 -1.08 -1.23 -4.97 116.67 122.11 3kz1 s ASP 124 Ca 0.52 1.23 -0.12 0.00 -0.52 0.00 0.00 52.55 53.66 3kz1 s ASP 124 Cb 0.37 -2.47 -0.05 0.00 -1.46 0.00 0.00 42.92 39.31 3kz1 s ASP 124 CO 0.20 -0.40 1.47 -0.08 0.52 0.00 0.00 175.17 176.88 3kz1 h GLU 125 N 7.28 0.86 -0.33 4.34 4.81 -1.90 -2.98 114.58 126.66 3kz1 h GLU 125 Ca -0.30 -0.44 0.10 0.00 -0.13 0.00 0.00 59.36 58.59 3kz1 h GLU 125 Cb 1.13 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 30.51 3kz1 h GLU 125 CO 0.84 1.08 0.25 1.25 -0.73 0.00 0.00 179.01 181.70 3kz1 h HIS 126 N 0.66 0.00 0.09 0.92 2.76 -1.97 -2.79 115.15 114.82 3kz1 h HIS 126 Ca 0.06 0.00 -0.16 0.00 -2.20 0.00 0.00 60.37 58.08 3kz1 h HIS 126 Cb 0.91 0.00 0.02 0.00 1.55 0.00 0.00 27.41 29.88 3kz1 h HIS 126 CO 0.06 0.00 -0.66 1.15 -1.30 0.00 0.00 177.93 177.18 3kz1 h THR 127 N 0.00 1.53 0.00 6.26 2.02 -1.85 -3.35 112.91 117.52 3kz1 h THR 127 Ca 0.16 -2.40 -0.04 0.00 0.77 0.00 0.00 66.41 64.91 3kz1 h THR 127 Cb 0.65 3.08 -0.01 0.00 -1.74 0.00 0.00 68.15 70.13 3kz1 h THR 127 CO -0.00 0.68 -0.17 -0.09 0.37 0.00 0.00 175.52 176.31 3kz1 h ARG 128 N -0.38 0.00 -0.12 6.66 9.65 -1.45 -2.94 114.38 125.80 3kz1 h ARG 128 Ca -0.11 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.60 3kz1 h ARG 128 Cb 1.48 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 30.06 3kz1 h ARG 128 CO 0.13 0.17 -0.63 -0.09 2.80 0.00 0.00 179.97 182.34 3kz1 h ARG 129 N 0.00 0.43 0.00 0.20 1.12 -1.66 -2.75 114.38 111.72 3kz1 h ARG 129 Ca -0.00 -0.30 -0.15 0.00 -1.11 0.00 0.00 59.98 58.42 3kz1 h ARG 129 Cb 0.31 0.05 -0.02 0.00 -0.01 0.00 0.00 29.97 30.30 3kz1 h ARG 129 CO 0.02 0.92 -0.70 0.93 -3.11 0.00 0.00 179.97 178.03 3kz1 h GLU 130 N 0.31 0.00 -0.60 0.20 4.39 -1.65 -3.12 114.58 114.11 3kz1 h GLU 130 Ca -0.01 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 3kz1 h GLU 130 Cb 1.18 0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.80 3kz1 h GLU 130 CO 0.11 0.70 0.25 -0.07 -1.16 0.00 0.00 179.01 178.84 3kz1 h LEU 131 N 0.00 0.83 -1.18 1.33 3.38 -1.46 -3.08 115.31 115.14 3kz1 h LEU 131 Ca -0.01 -0.17 0.09 0.00 0.09 0.00 0.00 57.88 57.89 3kz1 h LEU 131 Cb 1.45 -0.22 -0.06 0.00 0.09 0.00 0.00 40.66 41.92 3kz1 h LEU 131 CO 0.09 0.77 0.58 0.00 0.09 0.00 0.00 178.44 179.98 3kz1 h ALA 132 N 1.09 1.61 -0.00 1.53 0.00 -1.36 -0.53 119.26 121.59 3kz1 h ALA 132 Ca 0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kz1 h ALA 132 Cb 0.20 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 3kz1 h ALA 132 CO -0.02 0.22 0.14 0.87 0.00 0.00 0.00 179.25 180.46 3kz1 h LYS 133 N 0.92 0.00 -0.26 0.00 6.56 -1.58 0.23 116.57 122.44 3kz1 h LYS 133 Ca 0.41 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 60.00 3kz1 h LYS 133 Cb 0.37 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.03 3kz1 h LYS 133 CO -0.18 0.00 0.00 -1.33 -2.06 0.00 0.00 179.45 175.88 3kz1 n MET 134 N -3.02 2.84 -3.76 3.15 2.81 -0.47 -4.97 117.12 113.70 3kz1 n MET 134 Ca -0.02 -2.58 -0.24 0.00 -1.81 0.00 0.00 57.70 53.05 3kz1 n MET 134 Cb 0.20 -1.65 0.03 0.00 -0.71 0.00 0.00 33.22 31.09 3kz1 n MET 134 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 3kz1 n LYS 135 N -0.27 -5.09 -4.11 0.03 4.81 0.80 -5.00 118.16 109.33 3kz1 n LYS 135 Ca 0.18 0.61 -0.12 0.00 -0.87 0.00 0.00 58.31 58.12 3kz1 n LYS 135 Cb 0.74 -5.26 -0.11 0.00 0.02 0.00 0.00 35.03 30.42 3kz1 n LYS 135 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 3kz1 s GLN 136 N -6.16 0.67 0.10 1.64 -0.21 -0.33 -4.99 119.66 110.39 3kz1 s GLN 136 Ca 0.18 -1.04 0.03 0.00 0.02 0.00 0.00 55.36 54.55 3kz1 s GLN 136 Cb -0.09 -0.23 -0.04 0.00 1.00 0.00 0.00 33.01 33.65 3kz1 s GLN 136 CO 0.82 0.01 -0.08 -1.83 -2.12 0.00 0.00 175.29 172.09 3kz1 s GLU 137 N -2.68 0.86 1.41 2.91 -1.05 -1.26 -2.91 118.70 115.98 3kz1 s GLU 137 Ca 0.00 -1.28 -0.23 0.00 -0.15 0.00 0.00 54.97 53.32 3kz1 s GLU 137 Cb -0.02 -0.37 0.36 0.00 -0.44 0.00 0.00 34.13 33.66 3kz1 s GLU 137 CO -0.02 0.03 0.94 -2.14 0.95 0.00 0.00 175.26 175.02 3kz1 s PRO 138 N -3.43 -2.86 -0.09 -4.83 0.02 -1.26 -4.89 135.00 117.65 3kz1 s PRO 138 Ca 0.10 0.09 -0.05 0.00 0.02 0.00 0.00 61.00 61.16 3kz1 s PRO 138 Cb 0.02 -1.39 -0.04 0.00 0.02 0.00 0.00 34.50 33.11 3kz1 s PRO 138 CO -0.02 -4.82 0.13 0.08 -0.33 0.00 0.00 177.00 172.03 3kz1 s VAL 139 N -2.34 5.31 0.51 3.83 1.01 -1.24 -5.11 120.40 122.37 3kz1 s VAL 139 Ca 0.69 0.07 0.08 0.00 0.00 0.00 0.00 61.98 62.82 3kz1 s VAL 139 Cb -0.12 -3.34 0.09 0.00 0.00 0.00 0.00 36.38 33.01 3kz1 s VAL 139 CO 0.57 0.56 0.71 0.29 0.00 0.00 0.00 175.10 177.24 3kz1 n LYS 140 N 1.80 0.63 0.00 2.72 5.02 -1.26 -5.05 118.16 122.03 3kz1 n LYS 140 Ca -0.18 -2.73 0.12 0.00 -2.02 0.00 0.00 58.31 53.50 3kz1 n LYS 140 Cb 0.54 -0.22 0.25 0.00 -0.02 0.00 0.00 35.03 35.58 3kz1 n LYS 140 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 3kz1 n PRO 141 N -2.13 0.18 -0.03 1.97 -0.04 -1.26 -4.01 135.00 129.67 3kz1 n PRO 141 Ca 0.14 -0.11 -0.14 0.00 -0.04 0.00 0.00 63.50 63.36 3kz1 n PRO 141 Cb 0.53 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.39 3kz1 n PRO 141 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3kz1 h GLU 142 N 0.26 0.13 -0.12 0.54 3.07 -1.99 -1.97 114.58 114.50 3kz1 h GLU 142 Ca 0.00 -0.09 -0.16 0.00 -0.50 0.00 0.00 59.36 58.60 3kz1 h GLU 142 Cb 0.50 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3kz1 h GLU 142 CO 0.00 0.70 -0.62 1.05 -1.40 0.00 0.00 179.01 178.74 3kz1 h GLU 143 N -0.42 0.44 -0.19 2.33 -0.00 -1.98 -0.19 114.58 114.57 3kz1 h GLU 143 Ca -0.00 -0.31 0.05 0.00 -0.00 0.00 0.00 59.36 59.11 3kz1 h GLU 143 Cb 0.71 0.05 -0.07 0.00 -0.00 0.00 0.00 28.75 29.44 3kz1 h GLU 143 CO 0.02 0.92 -0.31 0.78 -0.00 0.00 0.00 179.01 180.42 3kz1 h GLY 144 N 1.21 -0.38 0.12 1.06 0.00 -1.69 0.88 103.07 104.26 3kz1 h GLY 144 Ca -0.01 0.39 0.13 0.00 0.00 0.00 0.00 47.33 47.84 3kz1 h GLY 144 CO 0.11 -0.21 0.18 3.21 0.00 0.00 0.00 176.54 179.82 3kz1 h ARG 145 N -0.36 0.30 0.40 4.80 2.47 -1.03 -1.97 114.38 118.98 3kz1 h ARG 145 Ca 0.11 -0.02 -0.02 0.00 -1.26 0.00 0.00 59.98 58.79 3kz1 h ARG 145 Cb 0.53 -0.07 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 3kz1 h ARG 145 CO -0.39 0.20 -0.19 -0.44 0.56 0.00 0.00 179.97 179.71 3kz1 h ASP 146 N 0.31 -0.45 -0.95 7.04 5.19 0.33 -0.66 116.42 127.23 3kz1 h ASP 146 Ca 0.36 -0.07 0.23 0.00 -0.62 0.00 0.00 57.03 56.93 3kz1 h ASP 146 Cb 0.56 0.12 -0.18 0.00 0.18 0.00 0.00 39.33 40.01 3kz1 h ASP 146 CO -0.43 -0.20 -0.06 0.24 -3.12 0.00 0.00 179.24 175.67 3kz1 h MET 147 N -0.69 0.02 -0.76 3.56 2.86 0.96 0.76 114.93 121.64 3kz1 h MET 147 Ca -0.05 -0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.53 3kz1 h MET 147 Cb 0.49 -0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.12 3kz1 h MET 147 CO 0.09 0.01 0.27 0.00 1.06 0.00 0.00 176.91 178.34 3kz1 h ALA 148 N 1.94 1.04 -0.08 6.32 0.00 -1.06 0.21 119.26 127.63 3kz1 h ALA 148 Ca 0.53 -0.21 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 3kz1 h ALA 148 Cb 0.99 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 3kz1 h ALA 148 CO -0.91 0.66 -0.60 -0.91 0.00 0.00 0.00 179.25 177.49 3kz1 h ASN 149 N 1.12 0.31 0.12 0.00 -0.26 0.88 0.25 115.58 118.00 3kz1 h ASN 149 Ca 0.25 -0.18 -0.19 0.00 -0.56 0.00 0.00 56.30 55.62 3kz1 h ASN 149 Cb 0.26 -0.09 -0.00 0.00 -1.06 0.00 0.00 38.32 37.43 3kz1 h ASN 149 CO -0.01 0.83 -0.72 -0.09 -1.06 0.00 0.00 177.43 176.38 3kz1 h ARG 150 N 0.21 0.53 -0.48 0.81 1.12 0.12 -3.13 114.38 113.55 3kz1 h ARG 150 Ca -0.00 -0.42 0.00 0.00 -1.11 0.00 0.00 59.98 58.45 3kz1 h ARG 150 Cb 1.10 0.08 0.00 0.00 -0.01 0.00 0.00 29.97 31.14 3kz1 h ARG 150 CO 0.09 1.04 0.00 0.44 -3.11 0.00 0.00 179.97 178.44 3kz1 n ILE 151 N -3.88 0.65 -3.42 1.20 -5.35 0.65 -4.92 119.36 104.29 3kz1 n ILE 151 Ca -0.05 -0.64 -0.25 0.00 -0.27 0.00 0.00 62.75 61.54 3kz1 n ILE 151 Cb 0.70 0.31 0.04 0.00 -1.74 0.00 0.00 39.64 38.96 3kz1 n ILE 151 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3kz1 n GLY 152 N 1.25 -0.52 3.73 3.28 0.00 -1.13 -4.97 105.19 106.83 3kz1 n GLY 152 Ca 0.16 0.17 -0.32 0.00 0.00 0.00 0.00 46.02 46.03 3kz1 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3kz1 s ALA 153 N -3.21 2.02 0.27 4.61 0.00 0.86 -4.81 121.76 121.49 3kz1 s ALA 153 Ca 0.48 0.56 0.07 0.00 0.00 0.00 0.00 51.96 53.07 3kz1 s ALA 153 Cb -0.22 -3.38 0.35 0.00 0.00 0.00 0.00 23.12 19.87 3kz1 s ALA 153 CO 0.59 -2.02 1.62 0.35 0.00 0.00 0.00 175.76 176.30 3kz1 h PHE 154 N -0.96 0.19 0.00 0.00 3.57 -1.12 -3.46 116.94 115.16 3kz1 h PHE 154 Ca -0.45 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 60.99 3kz1 h PHE 154 Cb 1.26 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 39.97 3kz1 h PHE 154 CO 0.52 0.67 0.00 0.41 -2.23 0.00 0.00 178.31 177.68 3kz1 n GLY 155 N 0.12 -1.25 3.08 2.40 0.00 -1.26 -5.07 105.19 103.21 3kz1 n GLY 155 Ca -0.02 -0.94 -0.12 0.00 0.00 0.00 0.00 46.02 44.94 3kz1 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3kz1 s TYR 156 N -2.49 -0.14 -0.10 1.61 5.04 -1.26 -2.65 117.35 117.36 3kz1 s TYR 156 Ca 0.00 0.31 -0.14 0.00 -2.44 0.00 0.00 57.07 54.81 3kz1 s TYR 156 Cb 0.00 0.04 0.03 0.00 0.35 0.00 0.00 41.96 42.38 3kz1 s TYR 156 CO 0.00 -0.16 0.36 1.41 -1.34 0.00 0.00 175.55 175.82 3kz1 s MET 157 N -0.37 0.51 -0.04 4.97 1.75 -0.27 -4.99 119.30 120.86 3kz1 s MET 157 Ca -0.05 0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.72 3kz1 s MET 157 Cb -0.03 0.24 -0.03 0.00 2.84 0.00 0.00 34.83 37.85 3kz1 s MET 157 CO 0.01 -0.10 -0.08 -1.21 -0.65 0.00 0.00 175.02 172.99 3kz1 s GLU 158 N -0.27 2.64 0.25 4.11 0.41 -1.26 0.12 118.70 124.71 3kz1 s GLU 158 Ca -0.04 -0.62 -0.13 0.00 -0.41 0.00 0.00 54.97 53.76 3kz1 s GLU 158 Cb -0.03 -2.52 -0.00 0.00 -1.78 0.00 0.00 34.13 29.79 3kz1 s GLU 158 CO 0.02 0.64 0.49 0.00 -0.49 0.00 0.00 175.26 175.91 3kz1 s SER 160 N -3.01 1.22 0.16 0.00 0.15 0.40 -1.08 113.70 111.52 3kz1 s SER 160 Ca 0.22 0.02 0.02 0.00 0.70 0.00 0.00 55.95 56.91 3kz1 s SER 160 Cb -0.01 -0.24 -0.04 0.00 -1.71 0.00 0.00 66.02 64.02 3kz1 s SER 160 CO 0.09 -0.22 1.36 0.00 1.20 0.00 0.00 173.24 175.67 3kz1 h ALA 161 N 8.30 0.48 0.36 5.45 0.00 -1.92 0.85 119.26 132.78 3kz1 h ALA 161 Ca -0.17 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 53.98 3kz1 h ALA 161 Cb 1.12 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.84 3kz1 h ALA 161 CO 0.22 0.93 -0.17 0.87 0.00 0.00 0.00 179.25 181.09 3kz1 h LYS 162 N 0.10 -0.47 -0.00 0.00 1.79 -1.96 -3.22 116.57 112.82 3kz1 h LYS 162 Ca -0.05 0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 3kz1 h LYS 162 Cb 1.55 0.11 0.00 0.00 -1.58 0.00 0.00 32.23 32.30 3kz1 h LYS 162 CO 0.14 -0.18 -0.21 0.25 -1.08 0.00 0.00 179.45 178.37 3kz1 n THR 163 N -5.20 0.00 -0.47 -0.16 -2.24 -1.24 -4.89 114.28 100.08 3kz1 n THR 163 Ca -0.10 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.68 3kz1 n THR 163 Cb 0.27 -0.17 0.00 0.00 -2.10 0.00 0.00 70.33 68.32 3kz1 n THR 163 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3kz1 n LYS 164 N -1.47 0.00 -1.73 -0.78 3.00 0.24 -4.96 118.16 112.46 3kz1 n LYS 164 Ca 0.07 0.00 -0.42 0.00 -0.00 0.00 0.00 58.31 57.96 3kz1 n LYS 164 Cb 0.33 -2.19 -0.03 0.00 0.00 0.00 0.00 35.03 33.15 3kz1 n LYS 164 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 3kz1 s ASP 165 N -3.38 6.42 -1.26 3.14 2.15 -0.90 -3.18 116.67 119.66 3kz1 s ASP 165 Ca 0.00 2.78 0.00 0.00 0.43 0.00 0.00 52.55 55.76 3kz1 s ASP 165 Cb 0.00 -2.58 0.00 0.00 -0.30 0.00 0.00 42.92 40.04 3kz1 s ASP 165 CO 0.00 -0.99 0.00 0.61 -0.17 0.00 0.00 175.17 174.62 3kz1 n GLY 166 N 4.14 1.21 0.12 2.66 0.00 -1.26 -0.45 105.19 111.60 3kz1 n GLY 166 Ca 0.17 -0.13 -0.17 0.00 0.00 0.00 0.00 46.02 45.89 3kz1 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3kz1 h VAL 167 N 0.00 1.49 -0.15 1.61 2.07 -1.83 -3.10 116.25 116.33 3kz1 h VAL 167 Ca -0.24 -2.08 -0.10 0.00 0.82 0.00 0.00 66.70 65.10 3kz1 h VAL 167 Cb 1.03 2.73 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 3kz1 h VAL 167 CO 0.36 0.59 -0.36 0.08 0.02 0.00 0.00 177.57 178.26 3kz1 h ARG 168 N -0.29 0.32 -0.20 1.57 -0.00 -1.90 -2.05 114.38 111.82 3kz1 h ARG 168 Ca -0.06 -0.14 0.06 0.00 -0.00 0.00 0.00 59.98 59.84 3kz1 h ARG 168 Cb 1.23 -0.01 -0.01 0.00 -0.00 0.00 0.00 29.97 31.18 3kz1 h ARG 168 CO 0.09 0.64 0.18 0.93 -0.00 0.00 0.00 179.97 181.81 3kz1 h GLU 169 N 0.27 0.00 -0.16 0.08 3.07 -1.96 -0.41 114.58 115.47 3kz1 h GLU 169 Ca 0.03 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.85 3kz1 h GLU 169 Cb 0.76 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.66 3kz1 h GLU 169 CO 0.06 0.00 -0.05 0.28 -1.40 0.00 0.00 179.01 177.90 3kz1 h VAL 170 N 0.00 1.30 0.00 3.13 2.07 -1.29 -3.28 116.25 118.18 3kz1 h VAL 170 Ca 0.10 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.59 3kz1 h VAL 170 Cb 0.46 1.65 0.00 0.00 -1.52 0.00 0.00 31.29 31.88 3kz1 h VAL 170 CO -0.00 0.30 -0.01 -0.26 0.02 0.00 0.00 177.57 177.63 3kz1 h PHE 171 N 0.00 0.00 0.37 1.57 -1.00 -1.13 -2.57 116.94 114.18 3kz1 h PHE 171 Ca 0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 3kz1 h PHE 171 Cb 0.49 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.06 3kz1 h PHE 171 CO 0.06 0.00 -0.18 0.93 -1.61 0.00 0.00 178.31 177.51 3kz1 h GLU 172 N 0.00 -0.48 -0.23 1.51 5.08 -1.40 -1.82 114.58 117.25 3kz1 h GLU 172 Ca 0.00 0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.40 3kz1 h GLU 172 Cb 0.98 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 3kz1 h GLU 172 CO 0.00 -0.28 0.13 1.98 -1.00 0.00 0.00 179.01 179.84 3kz1 h MET 173 N -0.55 0.27 -0.92 2.33 4.05 -1.59 0.35 114.93 118.86 3kz1 h MET 173 Ca -0.05 -0.02 0.19 0.00 -0.28 0.00 0.00 59.70 59.54 3kz1 h MET 173 Cb 0.42 -0.06 -0.11 0.00 -0.80 0.00 0.00 31.60 31.05 3kz1 h MET 173 CO 0.08 0.18 0.50 0.00 0.23 0.00 0.00 176.91 177.90 3kz1 h ALA 174 N 1.10 1.49 -0.17 0.39 0.00 -1.47 0.16 119.26 120.76 3kz1 h ALA 174 Ca 0.09 0.10 -0.22 0.00 0.00 0.00 0.00 54.91 54.88 3kz1 h ALA 174 Cb -0.01 0.00 0.01 0.00 0.00 0.00 0.00 17.79 17.79 3kz1 h ALA 174 CO -0.04 -0.15 -0.74 1.15 0.00 0.00 0.00 179.25 179.47 3kz1 h THR 175 N 0.61 1.28 -0.16 0.00 2.02 -0.52 -1.93 112.91 114.21 3kz1 h THR 175 Ca 0.54 -1.93 -0.02 0.00 0.77 0.00 0.00 66.41 65.77 3kz1 h THR 175 Cb 0.88 1.93 -0.01 0.00 -1.74 0.00 0.00 68.15 69.22 3kz1 h THR 175 CO -0.42 0.62 -0.01 0.03 0.37 0.00 0.00 175.52 176.11 3kz1 h ARG 176 N 0.55 0.23 -0.12 6.66 3.08 -0.02 0.19 114.38 124.95 3kz1 h ARG 176 Ca -0.04 -0.03 -0.04 0.00 0.07 0.00 0.00 59.98 59.93 3kz1 h ARG 176 Cb 1.37 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 31.38 3kz1 h ARG 176 CO 0.15 0.26 -0.10 0.00 -1.07 0.00 0.00 179.97 179.21 3kz1 h ALA 177 N 1.77 0.17 -0.62 0.04 0.00 -0.45 0.17 119.26 120.35 3kz1 h ALA 177 Ca 0.05 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.58 3kz1 h ALA 177 Cb 0.17 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 3kz1 h ALA 177 CO 0.00 0.00 0.04 0.00 0.00 0.00 0.00 179.25 179.30 3kz1 h ALA 178 N 0.60 0.82 -0.35 0.00 0.00 -0.98 -3.15 119.26 116.20 3kz1 h ALA 178 Ca 0.02 -0.29 -0.15 0.00 0.00 0.00 0.00 54.91 54.48 3kz1 h ALA 178 Cb 0.61 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 3kz1 h ALA 178 CO 0.03 0.64 -0.38 -0.07 0.00 0.00 0.00 179.25 179.47 3kz1 h LEU 179 N 0.97 0.94 -9.60 0.00 4.07 -0.56 -3.42 115.31 107.70 3kz1 h LEU 179 Ca 0.18 -0.47 -0.52 0.00 0.08 0.00 0.00 57.88 57.14 3kz1 h LEU 179 Cb 0.51 -0.27 0.05 0.00 1.08 0.00 0.00 40.66 42.04 3kz1 h LEU 179 CO 0.02 1.22 1.05 1.67 -1.08 0.00 0.00 178.44 181.33 3kz1 n GLN 180 N -4.11 2.79 -0.34 1.13 7.27 0.58 -5.08 117.38 119.62 3kz1 n GLN 180 Ca -0.03 1.01 0.00 0.00 0.07 0.00 0.00 57.00 58.05 3kz1 n GLN 180 Cb 0.54 -2.88 0.00 0.00 2.41 0.00 0.00 30.24 30.31 3kz1 n GLN 180 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13