#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1kvc n LEU 2 N 0.00 0.59 0.00 -0.89 -0.00 -0.02 -4.36 117.00 112.31 1kvc n LEU 2 Ca 0.00 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 1kvc n LEU 2 Cb 0.00 -0.71 0.00 0.00 -0.00 0.00 0.00 43.42 42.71 1kvc n LEU 2 CO 0.00 -0.61 0.00 1.17 -0.00 0.00 0.00 177.39 177.95 1kvc n LYS 3 N 5.94 0.00 -3.62 1.96 0.00 -1.26 -3.17 118.16 118.01 1kvc n LYS 3 Ca 0.44 0.00 -0.01 0.00 0.00 0.00 0.00 58.31 58.74 1kvc n LYS 3 Cb -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 35.03 34.94 1kvc n LYS 3 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 1kvc s GLN 4 N 0.00 0.27 -0.01 1.64 2.00 -1.26 -4.65 119.66 117.64 1kvc s GLN 4 Ca 0.00 0.48 0.06 0.00 -2.00 0.00 0.00 55.36 53.90 1kvc s GLN 4 Cb 0.00 0.08 -0.02 0.00 0.80 0.00 0.00 33.01 33.87 1kvc s GLN 4 CO 0.00 -0.06 -0.19 0.08 -0.50 0.00 0.00 175.29 174.62 1kvc s VAL 5 N 1.33 1.54 -0.09 1.34 1.01 -0.44 -4.76 120.40 120.32 1kvc s VAL 5 Ca -0.08 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.09 1kvc s VAL 5 Cb -0.03 -1.28 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1kvc s VAL 5 CO -0.14 0.43 -0.19 -1.61 0.00 0.00 0.00 175.10 173.59 1kvc s GLU 6 N -0.48 2.98 0.00 2.72 2.02 -1.03 -0.51 118.70 124.42 1kvc s GLU 6 Ca 0.07 -0.79 0.06 0.00 0.02 0.00 0.00 54.97 54.33 1kvc s GLU 6 Cb -0.08 -2.39 -0.02 0.00 0.10 0.00 0.00 34.13 31.74 1kvc s GLU 6 CO -0.01 0.29 -0.19 0.42 0.02 0.00 0.00 175.26 175.80 1kvc s ILE 7 N 0.09 1.47 -0.06 -1.63 1.01 0.16 -0.97 121.20 121.27 1kvc s ILE 7 Ca -0.09 -0.90 0.02 0.00 0.00 0.00 0.00 60.65 59.68 1kvc s ILE 7 Cb -0.15 -1.25 0.01 0.00 0.01 0.00 0.00 42.46 41.08 1kvc s ILE 7 CO 0.06 0.32 -0.11 -0.36 0.00 0.00 0.00 174.94 174.85 1kvc s PHE 8 N -0.56 1.32 0.07 3.97 0.08 -0.30 -0.56 117.98 122.00 1kvc s PHE 8 Ca 0.07 -0.47 0.03 0.00 0.12 0.00 0.00 56.93 56.68 1kvc s PHE 8 Cb -0.08 -0.98 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 1kvc s PHE 8 CO 0.00 -0.25 -0.08 0.95 -0.10 0.00 0.00 175.22 175.73 1kvc s THR 9 N 0.68 0.71 0.13 0.64 -4.23 -1.04 -0.21 115.64 112.32 1kvc s THR 9 Ca -0.14 -1.48 -0.23 0.00 -1.18 0.00 0.00 61.69 58.66 1kvc s THR 9 Cb -0.15 -1.14 0.07 0.00 1.34 0.00 0.00 72.50 72.62 1kvc s THR 9 CO 0.03 -0.57 0.59 -0.62 -0.54 0.00 0.00 174.62 173.51 1kvc s ASP 10 N -2.24 -0.55 0.04 3.99 2.15 -0.57 -4.52 116.67 114.97 1kvc s ASP 10 Ca 0.01 0.05 -0.01 0.00 0.43 0.00 0.00 52.55 53.02 1kvc s ASP 10 Cb -0.04 0.58 -0.03 0.00 -0.30 0.00 0.00 42.92 43.13 1kvc s ASP 10 CO -0.01 -0.92 -0.02 -0.83 -0.17 0.00 0.00 175.17 173.22 1kvc s GLY 11 N -2.58 0.37 -0.25 2.66 0.00 -1.26 -1.78 107.32 104.48 1kvc s GLY 11 Ca -0.00 -0.97 -0.21 0.00 0.00 0.00 0.00 44.72 43.54 1kvc s GLY 11 CO -0.10 -1.07 0.65 -0.45 0.00 0.00 0.00 173.10 172.12 1kvc s SER 12 N -2.43 -0.70 0.00 1.64 0.15 -0.55 -4.84 113.70 106.97 1kvc s SER 12 Ca -0.01 1.32 0.00 0.00 0.70 0.00 0.00 55.95 57.96 1kvc s SER 12 Cb 0.02 1.31 -0.01 0.00 -1.71 0.00 0.00 66.02 65.64 1kvc s SER 12 CO -0.07 -0.23 -0.02 0.00 1.20 0.00 0.00 173.24 174.13 1kvc n LEU 14 N 2.72 1.87 -3.83 0.00 4.77 -0.49 -4.87 117.00 117.17 1kvc n LEU 14 Ca -0.15 -0.62 -0.08 0.00 -0.03 0.00 0.00 56.01 55.13 1kvc n LEU 14 Cb 0.59 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.68 1kvc n LEU 14 CO 0.25 0.31 0.52 -0.83 -1.33 0.00 0.00 177.39 176.31 1kvc s GLY 15 N -2.00 0.16 -0.53 -0.72 0.00 -1.26 -4.90 107.32 98.06 1kvc s GLY 15 Ca 0.35 -0.54 0.05 0.00 0.00 0.00 0.00 44.72 44.58 1kvc s GLY 15 CO 0.33 -0.15 0.44 -2.01 0.00 0.00 0.00 173.10 171.71 1kvc n ASN 16 N -0.99 1.11 -4.52 1.64 5.15 -1.26 -2.70 115.26 113.69 1kvc n ASN 16 Ca -0.06 -2.77 -0.25 0.00 -0.60 0.00 0.00 54.58 50.89 1kvc n ASN 16 Cb 0.60 -0.64 0.13 0.00 -0.53 0.00 0.00 39.78 39.33 1kvc n ASN 16 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1kvc s PRO 17 N -0.77 1.38 -0.02 1.20 0.04 -1.26 -5.11 135.00 130.47 1kvc s PRO 17 Ca 0.31 -0.91 -0.28 0.00 0.04 0.00 0.00 61.00 60.15 1kvc s PRO 17 Cb 0.03 -2.19 0.09 0.00 0.04 0.00 0.00 34.50 32.47 1kvc s PRO 17 CO -0.17 -1.72 1.29 0.20 0.04 0.00 0.00 177.00 176.64 1kvc s GLY 18 N -4.78 -0.12 0.37 0.56 0.00 0.83 -4.87 107.32 99.30 1kvc s GLY 18 Ca 0.68 0.01 -0.27 0.00 0.00 0.00 0.00 44.72 45.15 1kvc s GLY 18 CO 0.47 5.91 1.16 -1.55 0.00 0.00 0.00 173.10 179.09 1kvc n PRO 19 N -0.92 1.73 -4.01 2.90 -0.04 -1.22 -1.11 135.00 132.33 1kvc n PRO 19 Ca 0.04 0.61 -0.12 0.00 -0.04 0.00 0.00 63.50 63.99 1kvc n PRO 19 Cb 0.58 -2.17 -0.03 0.00 -0.04 0.00 0.00 33.50 31.85 1kvc n PRO 19 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1kvc s GLY 20 N -0.51 1.03 0.09 0.55 0.00 -0.73 -1.39 107.32 106.34 1kvc s GLY 20 Ca 0.59 -1.20 -0.26 0.00 0.00 0.00 0.00 44.72 43.84 1kvc s GLY 20 CO 0.60 -0.76 1.12 -0.32 0.00 0.00 0.00 173.10 173.74 1kvc s GLY 21 N -3.15 -0.20 0.21 0.20 0.00 0.42 0.17 107.32 104.97 1kvc s GLY 21 Ca 0.25 0.20 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1kvc s GLY 21 CO 0.16 1.17 0.08 -2.52 0.00 0.00 0.00 173.10 172.00 1kvc s TYR 22 N -2.62 1.30 -0.11 1.90 -0.85 -0.79 -1.48 117.35 114.70 1kvc s TYR 22 Ca 0.17 -1.21 -0.09 0.00 -0.52 0.00 0.00 57.07 55.41 1kvc s TYR 22 Cb 0.01 -0.72 0.03 0.00 0.38 0.00 0.00 41.96 41.65 1kvc s TYR 22 CO 0.01 -0.42 0.28 0.20 -1.52 0.00 0.00 175.55 174.10 1kvc s GLY 23 N -3.22 -0.20 -0.04 5.49 0.00 -0.73 -3.11 107.32 105.50 1kvc s GLY 23 Ca 0.34 0.84 -0.04 0.00 0.00 0.00 0.00 44.72 45.87 1kvc s GLY 23 CO 0.10 0.80 0.10 0.00 0.00 0.00 0.00 173.10 174.10 1kvc s ALA 24 N 0.35 -0.25 -0.04 3.20 0.00 -0.24 -1.52 121.76 123.26 1kvc s ALA 24 Ca -0.02 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.30 1kvc s ALA 24 Cb -0.03 -0.17 -0.01 0.00 0.00 0.00 0.00 23.12 22.90 1kvc s ALA 24 CO -0.01 -0.05 -0.25 0.42 0.00 0.00 0.00 175.76 175.87 1kvc s ILE 25 N 0.05 2.00 -0.17 0.00 1.01 0.70 -1.54 121.20 123.26 1kvc s ILE 25 Ca -0.00 -1.06 0.00 0.00 0.00 0.00 0.00 60.65 59.59 1kvc s ILE 25 Cb -0.01 -1.68 0.04 0.00 0.01 0.00 0.00 42.46 40.82 1kvc s ILE 25 CO 0.00 0.56 -0.09 -0.22 0.00 0.00 0.00 174.94 175.20 1kvc s LEU 26 N -0.32 1.78 -1.06 2.97 0.20 0.31 -1.15 118.68 121.42 1kvc s LEU 26 Ca 0.01 -0.65 -0.06 0.00 0.69 0.00 0.00 54.13 54.12 1kvc s LEU 26 Cb -0.12 -1.05 0.27 0.00 -0.43 0.00 0.00 46.19 44.86 1kvc s LEU 26 CO 0.02 -0.14 1.09 0.54 -0.29 0.00 0.00 176.35 177.57 1kvc n ARG 27 N 4.81 3.46 0.13 1.98 1.74 -0.14 -0.95 116.66 127.68 1kvc n ARG 27 Ca -0.14 -4.48 -0.13 0.00 -0.77 0.00 0.00 57.85 52.32 1kvc n ARG 27 Cb 0.48 -2.51 -0.08 0.00 -1.02 0.00 0.00 32.46 29.33 1kvc n ARG 27 CO 0.00 0.00 0.00 -0.92 -1.52 0.00 0.00 177.63 175.19 1kvc h TYR 28 N 6.27 -0.30 0.00 -1.55 5.03 -1.81 -2.72 116.97 121.89 1kvc h TYR 28 Ca 0.18 -0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.48 1kvc h TYR 28 Cb 0.82 0.10 0.00 0.00 1.55 0.00 0.00 36.73 39.19 1kvc h TYR 28 CO 0.78 -0.01 0.00 -2.13 -1.32 0.00 0.00 178.16 175.48 1kvc n ARG 29 N -5.12 0.11 -1.45 1.82 3.00 -1.26 -4.66 116.66 109.09 1kvc n ARG 29 Ca -0.09 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.41 1kvc n ARG 29 Cb 0.23 0.00 0.06 0.00 0.00 0.00 0.00 32.46 32.75 1kvc n ARG 29 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1kvc n GLY 30 N 3.39 5.61 3.84 5.14 0.00 -1.26 -4.90 105.19 117.00 1kvc n GLY 30 Ca 0.00 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.71 1kvc n GLY 30 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1kvc s ARG 31 N -3.68 1.72 0.06 1.61 1.04 -1.26 -5.19 118.95 113.26 1kvc s ARG 31 Ca 0.59 -1.08 0.06 0.00 -1.04 0.00 0.00 55.73 54.26 1kvc s ARG 31 Cb 0.47 0.50 -0.03 0.00 -2.04 0.00 0.00 34.95 33.85 1kvc s ARG 31 CO -0.12 -0.80 -0.16 -1.21 -0.04 0.00 0.00 175.30 172.96 1kvc s GLU 32 N -2.49 0.98 0.08 3.89 2.02 -1.26 -3.47 118.70 118.45 1kvc s GLU 32 Ca 0.17 -0.93 0.08 0.00 0.02 0.00 0.00 54.97 54.32 1kvc s GLU 32 Cb -0.04 -1.06 -0.03 0.00 0.10 0.00 0.00 34.13 33.11 1kvc s GLU 32 CO 0.08 0.25 -0.21 0.15 0.02 0.00 0.00 175.26 175.54 1kvc s LYS 33 N -1.50 1.27 -0.00 1.61 1.02 -0.12 -4.98 119.74 117.03 1kvc s LYS 33 Ca 0.02 -1.09 0.03 0.00 0.02 0.00 0.00 55.97 54.95 1kvc s LYS 33 Cb -0.09 -1.49 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1kvc s LYS 33 CO 0.02 0.36 -0.11 0.99 -0.92 0.00 0.00 175.35 175.70 1kvc s THR 34 N -1.00 0.84 -0.03 2.17 2.01 -1.26 -0.53 115.64 117.83 1kvc s THR 34 Ca 0.08 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.57 1kvc s THR 34 Cb -0.10 -0.72 0.00 0.00 0.01 0.00 0.00 72.50 71.70 1kvc s THR 34 CO 0.03 0.18 -0.11 -0.36 -0.69 0.00 0.00 174.62 173.67 1kvc s PHE 35 N -0.36 1.16 -0.29 4.92 0.40 -0.59 -5.01 117.98 118.21 1kvc s PHE 35 Ca 0.03 -0.32 -0.15 0.00 -0.60 0.00 0.00 56.93 55.90 1kvc s PHE 35 Cb -0.05 -0.82 0.11 0.00 0.51 0.00 0.00 43.02 42.78 1kvc s PHE 35 CO -0.00 -0.13 0.78 0.45 0.70 0.00 0.00 175.22 177.01 1kvc s SER 36 N 0.23 -0.85 -0.03 1.36 0.15 -1.26 -1.08 113.70 112.23 1kvc s SER 36 Ca -0.05 1.29 -0.15 0.00 0.70 0.00 0.00 55.95 57.75 1kvc s SER 36 Cb -0.10 1.54 0.03 0.00 -1.71 0.00 0.00 66.02 65.77 1kvc s SER 36 CO 0.01 -0.20 0.32 0.00 1.20 0.00 0.00 173.24 174.58 1kvc s ALA 37 N 1.87 -0.82 -0.06 5.45 0.00 -1.18 -4.99 121.76 122.02 1kvc s ALA 37 Ca -0.08 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.32 1kvc s ALA 37 Cb -0.06 0.02 -0.02 0.00 0.00 0.00 0.00 23.12 23.05 1kvc s ALA 37 CO -0.18 -0.26 -0.15 0.20 0.00 0.00 0.00 175.76 175.37 1kvc s GLY 38 N -1.19 1.52 0.05 0.00 0.00 -1.25 -1.89 107.32 104.56 1kvc s GLY 38 Ca -0.12 -0.97 0.02 0.00 0.00 0.00 0.00 44.72 43.65 1kvc s GLY 38 CO 0.04 -0.67 0.07 -0.19 0.00 0.00 0.00 173.10 172.35 1kvc s TYR 39 N -0.53 3.20 0.07 1.90 1.51 0.13 -1.19 117.35 122.43 1kvc s TYR 39 Ca 0.07 0.11 -0.15 0.00 -1.01 0.00 0.00 57.07 56.09 1kvc s TYR 39 Cb -0.12 -1.65 -0.20 0.00 -0.11 0.00 0.00 41.96 39.88 1kvc s TYR 39 CO 0.01 0.52 1.22 1.79 -1.11 0.00 0.00 175.55 177.99 1kvc h THR 40 N 2.79 1.31 -2.49 -0.71 1.35 -1.28 -1.95 112.91 111.94 1kvc h THR 40 Ca -0.47 -2.06 -0.37 0.00 -0.55 0.00 0.00 66.41 62.96 1kvc h THR 40 Cb 1.17 2.25 -0.36 0.00 -1.73 0.00 0.00 68.15 69.48 1kvc h THR 40 CO 0.64 0.63 -0.66 -0.60 -0.25 0.00 0.00 175.52 175.28 1kvc s ARG 41 N -3.50 0.22 0.05 4.72 3.52 -1.26 -3.44 118.95 119.26 1kvc s ARG 41 Ca -0.11 -0.04 -0.01 0.00 -0.13 0.00 0.00 55.73 55.43 1kvc s ARG 41 Cb 0.07 -1.08 0.01 0.00 -1.56 0.00 0.00 34.95 32.38 1kvc s ARG 41 CO 0.89 -0.83 0.09 -2.37 -0.81 0.00 0.00 175.30 172.27 1kvc n THR 42 N 5.30 0.00 -4.41 4.11 5.66 -0.27 -4.34 114.28 120.33 1kvc n THR 42 Ca -0.05 -0.18 -0.21 0.00 -3.05 0.00 0.00 64.05 60.57 1kvc n THR 42 Cb 0.47 0.14 -0.10 0.00 -1.55 0.00 0.00 70.33 69.29 1kvc n THR 42 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1kvc s THR 43 N -2.72 1.66 0.29 1.09 -4.23 -1.26 -0.12 115.64 110.35 1kvc s THR 43 Ca 0.03 -2.15 0.04 0.00 -1.18 0.00 0.00 61.69 58.43 1kvc s THR 43 Cb -0.00 -2.36 0.06 0.00 1.34 0.00 0.00 72.50 71.54 1kvc s THR 43 CO 0.02 -0.36 1.73 -1.13 -0.54 0.00 0.00 174.62 174.34 1kvc h ASN 44 N 2.34 0.39 0.39 3.99 -1.24 -1.90 -2.31 115.58 117.25 1kvc h ASN 44 Ca -0.39 -0.14 -0.15 0.00 0.71 0.00 0.00 56.30 56.32 1kvc h ASN 44 Cb 1.23 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 40.16 1kvc h ASN 44 CO 0.66 0.68 -0.64 0.78 -1.29 0.00 0.00 177.43 177.62 1kvc h ASN 45 N 0.34 0.27 -0.19 1.15 -0.26 -1.98 -1.74 115.58 113.18 1kvc h ASN 45 Ca 0.05 -0.16 -0.14 0.00 -0.56 0.00 0.00 56.30 55.48 1kvc h ASN 45 Cb 0.69 -0.08 -0.01 0.00 -1.06 0.00 0.00 38.32 37.86 1kvc h ASN 45 CO 0.05 0.84 -0.38 0.03 -1.06 0.00 0.00 177.43 176.90 1kvc h ARG 46 N 0.17 0.72 0.00 0.81 3.08 -1.93 -2.57 114.38 114.65 1kvc h ARG 46 Ca -0.01 -0.37 -0.13 0.00 0.07 0.00 0.00 59.98 59.55 1kvc h ARG 46 Cb 1.16 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.20 1kvc h ARG 46 CO 0.10 0.98 -0.60 0.52 -1.07 0.00 0.00 179.97 179.90 1kvc h MET 47 N 0.60 0.00 -0.13 0.04 2.86 -1.31 0.32 114.93 117.31 1kvc h MET 47 Ca 0.05 0.00 -0.16 0.00 -2.06 0.00 0.00 59.70 57.53 1kvc h MET 47 Cb 0.92 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.57 1kvc h MET 47 CO 0.08 0.60 -0.60 0.93 1.06 0.00 0.00 176.91 178.98 1kvc h GLU 48 N 0.00 0.43 -0.01 1.72 5.08 -1.14 -2.73 114.58 117.93 1kvc h GLU 48 Ca -0.01 -0.29 -0.04 0.00 -1.00 0.00 0.00 59.36 58.02 1kvc h GLU 48 Cb 1.14 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1kvc h GLU 48 CO 0.08 0.90 -0.13 -0.07 -1.00 0.00 0.00 179.01 178.79 1kvc h LEU 49 N 0.32 0.14 -1.17 1.33 3.38 -1.39 -3.29 115.31 114.63 1kvc h LEU 49 Ca -0.01 -0.71 0.16 0.00 0.09 0.00 0.00 57.88 57.41 1kvc h LEU 49 Cb 1.14 -0.04 -0.08 0.00 0.09 0.00 0.00 40.66 41.77 1kvc h LEU 49 CO 0.11 0.83 0.60 -0.03 0.09 0.00 0.00 178.44 180.04 1kvc h MET 50 N -0.54 0.73 -0.24 1.13 4.05 -0.94 -1.75 114.93 117.37 1kvc h MET 50 Ca -0.01 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.37 1kvc h MET 50 Cb 0.84 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.46 1kvc h MET 50 CO 0.03 0.48 0.13 0.00 0.23 0.00 0.00 176.91 177.79 1kvc h ALA 51 N 1.60 0.29 -0.07 0.39 0.00 -1.58 -1.00 119.26 118.89 1kvc h ALA 51 Ca 0.50 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 55.27 1kvc h ALA 51 Cb 0.77 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 1kvc h ALA 51 CO -0.26 -0.26 -0.58 0.00 0.00 0.00 0.00 179.25 178.14 1kvc h ALA 52 N 1.11 0.89 0.84 0.00 0.00 -1.48 -2.80 119.26 117.82 1kvc h ALA 52 Ca 0.09 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 1kvc h ALA 52 Cb 0.00 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.71 1kvc h ALA 52 CO -0.05 0.71 -0.40 0.82 0.00 0.00 0.00 179.25 180.33 1kvc h ILE 53 N 0.17 0.05 -0.49 0.00 2.04 -1.10 -1.73 117.51 116.45 1kvc h ILE 53 Ca -0.00 -0.14 0.09 0.00 1.00 0.00 0.00 64.86 65.81 1kvc h ILE 53 Cb 1.07 0.06 -0.08 0.00 -0.74 0.00 0.00 36.82 37.13 1kvc h ILE 53 CO 0.09 0.00 -0.00 0.58 0.00 0.00 0.00 178.15 178.82 1kvc h VAL 54 N -1.27 0.61 -0.12 1.67 2.07 -1.25 0.34 116.25 118.32 1kvc h VAL 54 Ca -0.12 -0.04 -0.00 0.00 0.82 0.00 0.00 66.70 67.37 1kvc h VAL 54 Cb 0.87 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1kvc h VAL 54 CO 0.19 0.02 0.07 0.00 0.02 0.00 0.00 177.57 177.87 1kvc h ALA 55 N 1.44 0.15 -0.47 1.67 0.00 -1.50 -2.15 119.26 118.39 1kvc h ALA 55 Ca 0.25 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1kvc h ALA 55 Cb 0.37 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 1kvc h ALA 55 CO -0.41 -0.34 0.09 -0.07 0.00 0.00 0.00 179.25 178.52 1kvc h LEU 56 N 0.13 0.67 -0.61 0.00 3.38 -0.79 -2.44 115.31 115.64 1kvc h LEU 56 Ca 0.04 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1kvc h LEU 56 Cb 0.03 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1kvc h LEU 56 CO -0.01 0.68 0.00 -0.33 0.09 0.00 0.00 178.44 178.87 1kvc h GLU 57 N 0.69 0.00 0.00 1.13 5.08 -0.04 -2.68 114.58 118.76 1kvc h GLU 57 Ca 0.15 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.47 1kvc h GLU 57 Cb 0.29 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.53 1kvc h GLU 57 CO 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 179.01 177.81 1kvc h ALA 58 N 2.26 0.95 -2.41 3.43 0.00 -0.88 -3.44 119.26 119.17 1kvc h ALA 58 Ca 0.00 -0.18 -0.54 0.00 0.00 0.00 0.00 54.91 54.19 1kvc h ALA 58 Cb 0.54 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1kvc h ALA 58 CO 0.00 0.25 0.52 -0.51 0.00 0.00 0.00 179.25 179.51 1kvc s LEU 59 N -6.51 4.34 -0.03 0.00 1.43 -1.01 -4.97 118.68 111.94 1kvc s LEU 59 Ca 0.03 1.81 -0.01 0.00 -1.03 0.00 0.00 54.13 54.92 1kvc s LEU 59 Cb 0.08 -3.57 -0.00 0.00 0.03 0.00 0.00 46.19 42.73 1kvc s LEU 59 CO 0.65 -0.42 -0.03 0.11 0.23 0.00 0.00 176.35 176.89 1kvc h LYS 60 N 6.95 0.00 -7.38 1.70 1.79 -1.88 -3.48 116.57 114.27 1kvc h LYS 60 Ca -0.39 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.57 1kvc h LYS 60 Cb 1.20 0.00 0.08 0.00 -1.58 0.00 0.00 32.23 31.93 1kvc h LYS 60 CO 0.81 0.00 0.39 -1.21 -1.08 0.00 0.00 179.45 178.36 1kvc s GLU 61 N -1.24 3.04 0.16 3.15 2.02 -1.26 -4.99 118.70 119.58 1kvc s GLU 61 Ca -0.02 0.76 -0.31 0.00 0.02 0.00 0.00 54.97 55.42 1kvc s GLU 61 Cb 0.00 -2.02 -0.09 0.00 0.10 0.00 0.00 34.13 32.13 1kvc s GLU 61 CO 0.04 -0.97 1.44 -1.01 0.02 0.00 0.00 175.26 174.78 1kvc s HIS 62 N -3.16 3.15 0.17 1.61 3.76 -1.26 -4.93 115.29 114.64 1kvc s HIS 62 Ca 0.57 0.90 0.02 0.00 -0.15 0.00 0.00 55.06 56.40 1kvc s HIS 62 Cb -0.13 -3.77 -0.05 0.00 1.11 0.00 0.00 32.58 29.75 1kvc s HIS 62 CO 0.54 -2.69 -0.02 0.00 -0.85 0.00 0.00 174.74 171.72 1kvc s GLU 64 N -3.87 3.05 0.09 0.00 2.02 -1.19 -1.34 118.70 117.46 1kvc s GLU 64 Ca 0.22 -0.95 0.04 0.00 0.02 0.00 0.00 54.97 54.30 1kvc s GLU 64 Cb 0.05 -3.91 -0.04 0.00 0.10 0.00 0.00 34.13 30.33 1kvc s GLU 64 CO 0.03 -0.68 0.02 0.08 0.02 0.00 0.00 175.26 174.73 1kvc s VAL 65 N 1.67 4.16 -0.27 2.63 1.01 0.20 -1.33 120.40 128.48 1kvc s VAL 65 Ca 0.05 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1kvc s VAL 65 Cb -0.19 -3.00 0.08 0.00 0.00 0.00 0.00 36.38 33.28 1kvc s VAL 65 CO 0.10 0.11 0.01 -0.63 0.00 0.00 0.00 175.10 174.69 1kvc s ILE 66 N -1.36 1.43 -0.21 2.22 1.01 0.34 0.65 121.20 125.27 1kvc s ILE 66 Ca 0.27 -1.44 -0.09 0.00 0.00 0.00 0.00 60.65 59.39 1kvc s ILE 66 Cb -0.12 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1kvc s ILE 66 CO 0.19 -0.36 0.11 -0.22 0.00 0.00 0.00 174.94 174.66 1kvc s LEU 67 N 1.39 3.94 -0.20 2.97 0.20 -0.27 -0.67 118.68 126.04 1kvc s LEU 67 Ca 0.02 0.08 -0.00 0.00 0.69 0.00 0.00 54.13 54.92 1kvc s LEU 67 Cb -0.18 -2.03 0.01 0.00 -0.43 0.00 0.00 46.19 43.56 1kvc s LEU 67 CO -0.12 0.12 -0.14 -0.44 -0.29 0.00 0.00 176.35 175.47 1kvc s SER 68 N 0.73 3.59 -0.03 3.68 0.01 0.27 -0.77 113.70 121.18 1kvc s SER 68 Ca 0.06 -0.62 -0.09 0.00 1.31 0.00 0.00 55.95 56.61 1kvc s SER 68 Cb -0.13 -1.57 0.01 0.00 0.21 0.00 0.00 66.02 64.55 1kvc s SER 68 CO 0.02 -0.02 0.19 0.28 0.41 0.00 0.00 173.24 174.12 1kvc s THR 69 N 1.34 0.05 -2.65 1.44 -1.32 -1.05 -2.48 115.64 110.96 1kvc s THR 69 Ca 0.04 -0.39 0.24 0.00 -1.21 0.00 0.00 61.69 60.37 1kvc s THR 69 Cb -0.14 -0.41 0.35 0.00 -1.51 0.00 0.00 72.50 70.79 1kvc s THR 69 CO -0.09 -0.21 1.39 -0.90 -2.21 0.00 0.00 174.62 172.59 1kvc n ASP 70 N 2.01 2.97 -4.61 8.08 5.75 -1.26 -2.32 116.55 127.16 1kvc n ASP 70 Ca -0.19 -1.93 -0.43 0.00 -0.01 0.00 0.00 54.79 52.23 1kvc n ASP 70 Cb 0.57 -0.13 -0.03 0.00 -1.03 0.00 0.00 41.12 40.50 1kvc n ASP 70 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1kvc s SER 71 N -1.72 5.90 0.26 -1.12 0.15 -1.26 -4.88 113.70 111.03 1kvc s SER 71 Ca 0.34 1.74 -0.02 0.00 0.70 0.00 0.00 55.95 58.71 1kvc s SER 71 Cb 0.21 -2.52 0.33 0.00 -1.71 0.00 0.00 66.02 62.33 1kvc s SER 71 CO 0.31 -1.63 1.77 -0.61 1.20 0.00 0.00 173.24 174.28 1kvc h GLN 72 N 12.93 0.82 0.37 5.44 4.15 -1.96 -1.16 115.11 135.70 1kvc h GLN 72 Ca -0.38 -0.21 -0.01 0.00 0.77 0.00 0.00 58.65 58.82 1kvc h GLN 72 Cb 1.20 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 28.77 1kvc h GLN 72 CO 0.99 0.80 -0.30 -0.92 -1.93 0.00 0.00 178.83 177.47 1kvc h TYR 73 N 0.77 -0.80 -0.34 3.99 3.20 -1.99 0.40 116.97 122.21 1kvc h TYR 73 Ca 0.15 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1kvc h TYR 73 Cb 0.42 0.30 -0.02 0.00 1.54 0.00 0.00 36.73 38.98 1kvc h TYR 73 CO 0.02 -0.44 0.22 0.28 -1.64 0.00 0.00 178.16 176.60 1kvc h VAL 74 N -0.67 1.09 -0.22 1.81 2.07 -1.93 -1.86 116.25 116.55 1kvc h VAL 74 Ca -0.03 -0.18 0.05 0.00 0.82 0.00 0.00 66.70 67.36 1kvc h VAL 74 Cb 0.59 0.61 -0.05 0.00 -1.52 0.00 0.00 31.29 30.92 1kvc h VAL 74 CO -0.02 0.09 -0.12 -0.09 0.02 0.00 0.00 177.57 177.45 1kvc h ARG 75 N 0.45 -0.10 -0.63 1.57 2.43 -0.96 -1.18 114.38 115.95 1kvc h ARG 75 Ca 0.12 0.01 -0.04 0.00 -0.81 0.00 0.00 59.98 59.26 1kvc h ARG 75 Cb -0.04 0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.51 1kvc h ARG 75 CO -0.03 -0.07 0.24 1.96 -1.51 0.00 0.00 179.97 180.57 1kvc h GLN 76 N -0.10 0.96 -0.66 0.20 4.20 -0.03 -2.07 115.11 117.60 1kvc h GLN 76 Ca 0.12 -0.18 -0.05 0.00 0.06 0.00 0.00 58.65 58.60 1kvc h GLN 76 Cb 0.28 -0.15 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1kvc h GLN 76 CO -0.28 0.82 0.22 0.78 -0.67 0.00 0.00 178.83 179.69 1kvc h GLY 77 N 0.90 1.10 0.56 3.46 0.00 -0.95 0.11 103.07 108.24 1kvc h GLY 77 Ca 0.21 -0.64 -0.02 0.00 0.00 0.00 0.00 47.33 46.87 1kvc h GLY 77 CO -0.01 0.60 -0.06 -2.22 0.00 0.00 0.00 176.54 174.84 1kvc h ILE 78 N 0.96 1.41 0.00 2.60 1.08 -1.17 0.14 117.51 122.52 1kvc h ILE 78 Ca 0.21 -1.31 0.00 0.00 -0.39 0.00 0.00 64.86 63.37 1kvc h ILE 78 Cb 0.28 2.18 0.00 0.00 -3.07 0.00 0.00 36.82 36.21 1kvc h ILE 78 CO -0.01 0.36 -1.00 0.35 -0.69 0.00 0.00 178.15 177.15 1kvc n THR 79 N -4.73 0.34 0.00 -0.27 -2.24 -0.78 -4.75 114.28 101.85 1kvc n THR 79 Ca -0.08 -0.36 -0.00 0.00 -2.27 0.00 0.00 64.05 61.33 1kvc n THR 79 Cb 0.31 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.49 1kvc n THR 79 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvc n GLN 80 N -2.24 0.02 0.27 -0.78 6.02 0.35 -5.01 117.38 116.02 1kvc n GLN 80 Ca 0.01 0.01 -0.14 0.00 -0.01 0.00 0.00 57.00 56.87 1kvc n GLN 80 Cb 0.48 -0.24 -0.08 0.00 1.02 0.00 0.00 30.24 31.43 1kvc n GLN 80 CO 0.00 0.00 0.00 -1.49 -1.01 0.00 0.00 177.06 174.56 1kvc h TRP 81 N -0.04 -0.66 -0.62 1.08 6.55 -1.51 -3.40 115.95 117.35 1kvc h TRP 81 Ca 0.00 -0.02 0.10 0.00 0.95 0.00 0.00 58.89 59.93 1kvc h TRP 81 Cb 0.04 0.22 -0.11 0.00 -0.86 0.00 0.00 29.16 28.45 1kvc h TRP 81 CO -0.02 -0.33 -0.38 0.82 -1.05 0.00 0.00 178.44 177.48 1kvc h ILE 82 N -1.00 0.12 -0.44 1.49 2.04 -1.00 0.12 117.51 118.85 1kvc h ILE 82 Ca -0.07 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.82 1kvc h ILE 82 Cb 0.62 0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1kvc h ILE 82 CO 0.12 0.00 0.29 1.12 0.00 0.00 0.00 178.15 179.68 1kvc h HIS 83 N -0.18 0.44 -0.04 1.37 2.07 -1.83 -0.48 115.15 116.51 1kvc h HIS 83 Ca 0.22 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.70 1kvc h HIS 83 Cb 0.56 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.39 1kvc h HIS 83 CO -0.69 0.25 -0.15 -0.91 -3.07 0.00 0.00 177.93 173.36 1kvc h ASN 84 N 0.45 0.21 -0.64 3.10 2.35 -1.48 -2.93 115.58 116.63 1kvc h ASN 84 Ca 0.18 -0.63 0.04 0.00 -0.55 0.00 0.00 56.30 55.33 1kvc h ASN 84 Cb 0.15 -0.06 -0.04 0.00 0.05 0.00 0.00 38.32 38.41 1kvc h ASN 84 CO -0.04 0.81 0.38 -0.50 -1.65 0.00 0.00 177.43 176.43 1kvc h TRP 85 N -0.38 0.72 -0.60 1.19 6.55 -0.02 -2.67 115.95 120.74 1kvc h TRP 85 Ca -0.01 0.02 0.04 0.00 0.95 0.00 0.00 58.89 59.89 1kvc h TRP 85 Cb 0.79 -0.23 -0.04 0.00 -0.86 0.00 0.00 29.16 28.82 1kvc h TRP 85 CO 0.14 0.39 0.35 0.87 -1.05 0.00 0.00 178.44 179.13 1kvc h LYS 86 N 0.74 0.65 -0.70 0.49 1.57 -1.14 0.46 116.57 118.65 1kvc h LYS 86 Ca 0.27 -0.04 0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1kvc h LYS 86 Cb 0.07 -0.15 -0.05 0.00 0.08 0.00 0.00 32.23 32.19 1kvc h LYS 86 CO -0.13 0.43 0.47 0.87 -0.57 0.00 0.00 179.45 180.52 1kvc h LYS 87 N 0.67 0.49 -0.67 3.15 1.57 -1.29 -1.01 116.57 119.48 1kvc h LYS 87 Ca 0.25 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.00 1kvc h LYS 87 Cb 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.28 1kvc h LYS 87 CO -0.13 0.32 0.00 0.54 -0.57 0.00 0.00 179.45 179.61 1kvc n ARG 88 N -4.48 2.75 -2.30 3.15 1.74 -0.87 -4.96 116.66 111.69 1kvc n ARG 88 Ca 0.12 -2.46 -0.13 0.00 -0.77 0.00 0.00 57.85 54.61 1kvc n ARG 88 Cb 0.41 -1.59 -0.00 0.00 -1.02 0.00 0.00 32.46 30.25 1kvc n ARG 88 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1kvc n GLY 89 N 1.47 -0.15 3.35 -0.13 0.00 -0.38 -3.56 105.19 105.78 1kvc n GLY 89 Ca 0.23 -0.33 -0.22 0.00 0.00 0.00 0.00 46.02 45.69 1kvc n GLY 89 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1kvc n TRP 90 N -4.01 -2.52 -4.27 1.61 7.02 0.15 -4.99 117.44 110.43 1kvc n TRP 90 Ca -0.14 0.85 -0.19 0.00 -1.02 0.00 0.00 57.50 56.99 1kvc n TRP 90 Cb 0.61 -4.68 -0.13 0.00 -2.42 0.00 0.00 31.31 24.70 1kvc n TRP 90 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 1kvc s LYS 91 N -6.10 0.89 0.55 -0.99 1.02 -1.23 -1.87 119.74 112.01 1kvc s LYS 91 Ca 0.49 -0.87 -0.07 0.00 0.02 0.00 0.00 55.97 55.54 1kvc s LYS 91 Cb -0.22 -0.91 0.12 0.00 -0.52 0.00 0.00 37.83 36.31 1kvc s LYS 91 CO 0.61 0.21 0.76 0.25 -0.92 0.00 0.00 175.35 176.26 1kvc n THR 92 N 1.57 0.00 0.32 2.17 -2.24 0.82 -4.82 114.28 112.09 1kvc n THR 92 Ca -0.20 -0.72 0.19 0.00 -2.27 0.00 0.00 64.05 61.06 1kvc n THR 92 Cb 0.54 -1.51 1.05 0.00 -2.10 0.00 0.00 70.33 68.32 1kvc n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1kvc h ALA 93 N -1.46 1.24 -0.64 6.98 0.00 -2.00 0.76 119.26 124.14 1kvc h ALA 93 Ca -0.25 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1kvc h ALA 93 Cb 0.74 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1kvc h ALA 93 CO 0.20 0.01 0.00 -0.40 0.00 0.00 0.00 179.25 179.06 1kvc n ASP 94 N -3.43 4.40 -1.40 0.00 5.75 -1.26 -4.94 116.55 115.66 1kvc n ASP 94 Ca -0.03 -2.33 -0.18 0.00 -0.01 0.00 0.00 54.79 52.25 1kvc n ASP 94 Cb 0.09 -0.55 -0.07 0.00 -1.03 0.00 0.00 41.12 39.56 1kvc n ASP 94 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1kvc n LYS 95 N 1.19 -1.24 -3.04 0.11 4.76 0.26 -5.00 118.16 115.21 1kvc n LYS 95 Ca 0.24 1.10 -0.26 0.00 -2.87 0.00 0.00 58.31 56.53 1kvc n LYS 95 Cb 0.80 -5.36 -0.01 0.00 -1.84 0.00 0.00 35.03 28.62 1kvc n LYS 95 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 1kvc s LYS 96 N -3.60 3.52 0.34 1.97 -0.14 -1.26 -4.77 119.74 115.79 1kvc s LYS 96 Ca 0.00 -0.07 -0.28 0.00 -1.36 0.00 0.00 55.97 54.26 1kvc s LYS 96 Cb 0.00 -2.53 -0.10 0.00 -1.68 0.00 0.00 37.83 33.52 1kvc s LYS 96 CO 0.00 -0.01 1.23 -2.14 -0.76 0.00 0.00 175.35 173.67 1kvc s PRO 97 N -4.47 4.35 0.57 -1.68 0.02 -1.26 -0.13 135.00 132.40 1kvc s PRO 97 Ca 0.44 2.04 -0.21 0.00 0.02 0.00 0.00 61.00 63.29 1kvc s PRO 97 Cb -0.10 -3.01 -0.05 0.00 0.02 0.00 0.00 34.50 31.36 1kvc s PRO 97 CO 0.40 -0.13 1.23 1.33 -0.33 0.00 0.00 177.00 179.50 1kvc n VAL 98 N 0.73 3.91 -2.09 3.83 0.24 -0.78 -4.74 118.33 119.41 1kvc n VAL 98 Ca 0.01 -0.50 -0.41 0.00 -2.04 0.00 0.00 64.34 61.40 1kvc n VAL 98 Cb 0.43 -1.48 -0.02 0.00 -1.47 0.00 0.00 33.84 31.30 1kvc n VAL 98 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1kvc s LYS 99 N -2.88 4.33 -1.60 7.34 2.20 -1.26 -2.39 119.74 125.48 1kvc s LYS 99 Ca 0.74 2.22 0.00 0.00 -0.36 0.00 0.00 55.97 58.57 1kvc s LYS 99 Cb -0.42 -3.10 0.00 0.00 -1.51 0.00 0.00 37.83 32.80 1kvc s LYS 99 CO 0.48 -0.28 0.00 0.09 -0.36 0.00 0.00 175.35 175.28 1kvc n ASN 100 N 1.61 -5.22 -0.33 1.43 3.02 -1.26 -4.89 115.26 109.62 1kvc n ASN 100 Ca 0.03 0.07 0.09 0.00 -0.03 0.00 0.00 54.58 54.74 1kvc n ASN 100 Cb 0.41 -4.29 0.26 0.00 -0.61 0.00 0.00 39.78 35.55 1kvc n ASN 100 CO 0.00 0.00 0.00 1.62 -2.62 0.00 0.00 177.26 176.26 1kvc h VAL 101 N 0.00 0.76 -0.73 2.41 3.04 -1.83 -1.68 116.25 118.21 1kvc h VAL 101 Ca -0.42 -0.26 0.16 0.00 -1.01 0.00 0.00 66.70 65.18 1kvc h VAL 101 Cb 1.29 -0.06 -0.11 0.00 -2.01 0.00 0.00 31.29 30.40 1kvc h VAL 101 CO 0.51 0.14 0.15 -2.24 -1.01 0.00 0.00 177.57 175.12 1kvc h ASP 102 N 0.75 -0.03 0.09 3.17 2.03 -1.90 -0.33 116.42 120.20 1kvc h ASP 102 Ca 0.51 0.15 -0.28 0.00 -0.73 0.00 0.00 57.03 56.68 1kvc h ASP 102 Cb 0.71 0.22 0.03 0.00 -0.83 0.00 0.00 39.33 39.45 1kvc h ASP 102 CO -0.35 -0.06 -1.16 -0.07 -1.03 0.00 0.00 179.24 176.57 1kvc h LEU 103 N 0.24 0.87 -0.55 0.15 3.38 -1.83 -2.87 115.31 114.70 1kvc h LEU 103 Ca 0.41 -0.80 -0.03 0.00 0.09 0.00 0.00 57.88 57.55 1kvc h LEU 103 Cb 0.71 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 1kvc h LEU 103 CO -0.53 1.58 0.24 -0.50 0.09 0.00 0.00 178.44 179.32 1kvc h TRP 104 N 0.27 0.81 -0.13 1.13 4.06 -0.62 0.76 115.95 122.22 1kvc h TRP 104 Ca -0.17 -0.05 -0.02 0.00 2.06 0.00 0.00 58.89 60.71 1kvc h TRP 104 Cb 1.83 -0.25 -0.00 0.00 -1.00 0.00 0.00 29.16 29.74 1kvc h TRP 104 CO 0.12 0.65 0.01 1.96 -3.56 0.00 0.00 178.44 177.61 1kvc h GLN 105 N 0.74 0.23 -1.01 0.49 4.20 -1.19 0.02 115.11 118.60 1kvc h GLN 105 Ca 0.19 -0.07 0.04 0.00 0.06 0.00 0.00 58.65 58.86 1kvc h GLN 105 Cb 0.16 -0.02 -0.06 0.00 0.30 0.00 0.00 27.48 27.86 1kvc h GLN 105 CO -0.02 0.45 0.66 -0.09 -0.67 0.00 0.00 178.83 179.16 1kvc h ARG 106 N -0.02 1.25 -0.28 1.46 2.43 -1.31 0.78 114.38 118.69 1kvc h ARG 106 Ca 0.04 -0.07 -0.18 0.00 -0.81 0.00 0.00 59.98 58.96 1kvc h ARG 106 Cb 0.34 -0.28 -0.00 0.00 -0.42 0.00 0.00 29.97 29.61 1kvc h ARG 106 CO 0.01 0.82 -0.53 1.25 -1.51 0.00 0.00 179.97 180.01 1kvc h LEU 107 N 1.28 0.89 -1.08 3.80 5.85 -0.65 -2.72 115.31 122.68 1kvc h LEU 107 Ca 0.40 -0.47 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 1kvc h LEU 107 Cb -0.01 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.74 1kvc h LEU 107 CO -0.12 1.24 0.18 -0.78 -0.34 0.00 0.00 178.44 178.62 1kvc h ASP 108 N 0.62 0.77 0.64 1.25 3.58 -0.19 -0.70 116.42 122.38 1kvc h ASP 108 Ca 0.02 -0.12 -0.03 0.00 0.42 0.00 0.00 57.03 57.32 1kvc h ASP 108 Cb 1.12 -0.20 0.01 0.00 1.72 0.00 0.00 39.33 41.97 1kvc h ASP 108 CO 0.11 0.73 -0.31 0.00 -2.88 0.00 0.00 179.24 176.89 1kvc h ALA 109 N 1.38 -0.85 -0.05 -0.78 0.00 -0.83 -2.90 119.26 115.23 1kvc h ALA 109 Ca 0.19 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1kvc h ALA 109 Cb 0.23 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1kvc h ALA 109 CO -0.01 -0.86 0.08 0.00 0.00 0.00 0.00 179.25 178.46 1kvc h ALA 110 N -0.92 1.42 -1.46 0.00 0.00 -1.33 -2.73 119.26 114.25 1kvc h ALA 110 Ca -0.09 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1kvc h ALA 110 Cb 0.70 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1kvc h ALA 110 CO 0.14 -0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.57 1kvc n LEU 111 N -3.52 0.62 0.00 0.00 4.77 -0.28 -4.35 117.00 114.24 1kvc n LEU 111 Ca -0.02 0.55 0.00 0.00 -0.03 0.00 0.00 56.01 56.51 1kvc n LEU 111 Cb 0.17 -0.26 0.00 0.00 -2.33 0.00 0.00 43.42 41.00 1kvc n LEU 111 CO 0.24 -0.26 0.00 0.61 -1.33 0.00 0.00 177.39 176.65 1kvc n GLY 112 N 0.51 0.00 0.69 -0.72 0.00 -1.03 -0.05 105.19 104.60 1kvc n GLY 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1kvc n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1kvc n GLN 113 N -0.03 0.79 -3.90 1.61 10.64 -1.26 -4.87 117.38 120.36 1kvc n GLN 113 Ca 0.00 0.00 -0.09 0.00 -1.83 0.00 0.00 57.00 55.08 1kvc n GLN 113 Cb 0.00 -1.28 -0.08 0.00 -0.86 0.00 0.00 30.24 28.02 1kvc n GLN 113 CO 0.00 0.00 0.00 -1.01 -1.83 0.00 0.00 177.06 174.22 1kvc s HIS 114 N -0.53 0.19 -0.47 2.61 3.76 0.93 -4.34 115.29 117.44 1kvc s HIS 114 Ca 0.00 -0.59 -0.15 0.00 -0.15 0.00 0.00 55.06 54.17 1kvc s HIS 114 Cb 0.00 -0.11 0.08 0.00 1.11 0.00 0.00 32.58 33.65 1kvc s HIS 114 CO 0.00 -0.48 0.39 -0.65 -0.85 0.00 0.00 174.74 173.15 1kvc s GLN 115 N -3.47 2.94 -0.12 1.40 -0.21 -0.45 -5.00 119.66 114.74 1kvc s GLN 115 Ca 0.02 -1.39 -0.03 0.00 0.02 0.00 0.00 55.36 53.99 1kvc s GLN 115 Cb 0.03 -4.10 -0.03 0.00 1.00 0.00 0.00 33.01 29.91 1kvc s GLN 115 CO -0.09 -1.04 -0.02 0.42 -2.12 0.00 0.00 175.29 172.44 1kvc s ILE 116 N 1.61 4.06 -0.24 1.08 1.01 -1.26 0.63 121.20 128.09 1kvc s ILE 116 Ca 0.04 -0.32 -0.08 0.00 0.00 0.00 0.00 60.65 60.29 1kvc s ILE 116 Cb -0.25 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.45 1kvc s ILE 116 CO 0.06 0.54 0.10 -0.75 0.00 0.00 0.00 174.94 174.90 1kvc s LYS 117 N -0.24 3.80 -0.23 2.79 2.20 0.21 -4.95 119.74 123.32 1kvc s LYS 117 Ca 0.05 -0.41 -0.14 0.00 -0.36 0.00 0.00 55.97 55.12 1kvc s LYS 117 Cb -0.13 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.75 1kvc s LYS 117 CO 0.02 -0.09 0.30 -1.58 -0.36 0.00 0.00 175.35 173.64 1kvc s TRP 118 N 1.41 3.32 -0.26 4.03 0.52 -1.26 -1.12 118.94 125.58 1kvc s TRP 118 Ca 0.06 0.42 -0.06 0.00 0.02 0.00 0.00 56.10 56.54 1kvc s TRP 118 Cb -0.15 -2.44 -0.01 0.00 -1.15 0.00 0.00 33.47 29.73 1kvc s TRP 118 CO 0.05 -0.03 0.04 -2.00 0.02 0.00 0.00 176.95 175.04 1kvc s GLU 119 N 1.38 3.33 -0.56 4.98 2.12 0.05 -4.96 118.70 125.04 1kvc s GLU 119 Ca 0.14 -0.68 -0.18 0.00 0.36 0.00 0.00 54.97 54.60 1kvc s GLU 119 Cb -0.15 -3.26 0.10 0.00 0.26 0.00 0.00 34.13 31.08 1kvc s GLU 119 CO 0.07 -0.30 0.62 -1.58 -0.54 0.00 0.00 175.26 173.53 1kvc s TRP 120 N 1.53 3.08 0.35 5.30 0.52 -1.26 -2.53 118.94 125.92 1kvc s TRP 120 Ca 0.04 -0.96 -0.25 0.00 0.02 0.00 0.00 56.10 54.96 1kvc s TRP 120 Cb -0.16 -3.82 -0.10 0.00 -1.15 0.00 0.00 33.47 28.24 1kvc s TRP 120 CO 0.01 -1.15 0.96 0.14 0.02 0.00 0.00 176.95 176.93 1kvc s VAL 121 N 2.36 4.18 0.00 4.03 -7.23 -0.98 -5.00 120.40 117.76 1kvc s VAL 121 Ca 0.10 1.69 0.00 0.00 -1.81 0.00 0.00 61.98 61.96 1kvc s VAL 121 Cb -0.25 -3.89 0.00 0.00 0.56 0.00 0.00 36.38 32.81 1kvc s VAL 121 CO 0.06 0.03 0.00 2.29 -0.31 0.00 0.00 175.10 177.18 1kvc n LYS 122 N 0.24 0.00 -4.35 4.82 2.85 -1.26 -4.30 118.16 116.15 1kvc n LYS 122 Ca 0.03 0.00 -0.26 0.00 -1.05 0.00 0.00 58.31 57.04 1kvc n LYS 122 Cb 0.51 -0.20 -0.09 0.00 -0.65 0.00 0.00 35.03 34.60 1kvc n LYS 122 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1kvc s GLY 123 N -0.48 2.32 0.58 2.58 0.00 -1.26 -4.92 107.32 106.13 1kvc s GLY 123 Ca 0.00 -2.14 0.28 0.00 0.00 0.00 0.00 44.72 42.86 1kvc s GLY 123 CO 0.00 -1.97 2.03 0.45 0.00 0.00 0.00 173.10 173.60 1kvc h HIS 124 N 1.66 0.00 -2.66 1.90 3.86 -1.96 -3.41 115.15 114.54 1kvc h HIS 124 Ca -0.43 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.25 1kvc h HIS 124 Cb 1.25 0.00 0.03 0.00 1.06 0.00 0.00 27.41 29.75 1kvc h HIS 124 CO 0.69 0.00 1.02 0.00 0.86 0.00 0.00 177.93 180.49 1kvc s ALA 125 N -4.70 3.72 0.00 2.45 0.00 -1.26 -1.85 121.76 120.12 1kvc s ALA 125 Ca -0.05 1.30 0.00 0.00 0.00 0.00 0.00 51.96 53.21 1kvc s ALA 125 Cb 0.16 -3.71 0.00 0.00 0.00 0.00 0.00 23.12 19.57 1kvc s ALA 125 CO 0.58 -1.10 0.00 0.41 0.00 0.00 0.00 175.76 175.65 1kvc n GLY 126 N 4.04 0.80 2.64 0.00 0.00 -1.26 -4.92 105.19 106.49 1kvc n GLY 126 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 1kvc n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1kvc n HIS 127 N -2.13 3.24 -0.28 1.61 -0.00 -0.77 -4.95 115.22 111.94 1kvc n HIS 127 Ca 0.00 -4.01 0.09 0.00 -0.00 0.00 0.00 57.72 53.80 1kvc n HIS 127 Cb 0.01 -0.50 0.24 0.00 -0.00 0.00 0.00 29.99 29.74 1kvc n HIS 127 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.34 175.34 1kvc h PRO 128 N 3.46 0.36 -0.31 -0.41 0.13 -1.92 -0.75 132.00 132.56 1kvc h PRO 128 Ca 0.15 -0.02 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 1kvc h PRO 128 Cb 0.63 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 31.66 1kvc h PRO 128 CO 0.77 0.24 -0.23 0.93 -0.23 0.00 0.00 178.00 179.48 1kvc h GLU 129 N 0.37 0.59 -0.19 0.86 3.07 -1.93 -1.30 114.58 116.05 1kvc h GLU 129 Ca 0.48 -0.22 -0.14 0.00 -0.50 0.00 0.00 59.36 58.98 1kvc h GLU 129 Cb 0.85 -0.03 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1kvc h GLU 129 CO -0.50 0.77 -0.48 -0.91 -1.40 0.00 0.00 179.01 176.49 1kvc h ASN 130 N 0.52 0.54 -0.43 1.42 4.21 -1.55 -1.46 115.58 118.83 1kvc h ASN 130 Ca 0.08 -0.27 -0.09 0.00 1.21 0.00 0.00 56.30 57.23 1kvc h ASN 130 Cb 0.67 -0.15 -0.02 0.00 -1.12 0.00 0.00 38.32 37.70 1kvc h ASN 130 CO 0.05 0.94 -0.07 -0.08 -1.29 0.00 0.00 177.43 176.98 1kvc h GLU 131 N 0.40 0.87 -0.45 0.81 4.81 -0.96 -2.48 114.58 117.58 1kvc h GLU 131 Ca 0.02 -0.28 -0.12 0.00 -0.13 0.00 0.00 59.36 58.85 1kvc h GLU 131 Cb 0.99 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1kvc h GLU 131 CO 0.09 0.91 -0.20 -0.09 -0.73 0.00 0.00 179.01 178.99 1kvc h ARG 132 N 0.79 0.89 -0.75 1.92 2.43 -1.01 -2.35 114.38 116.30 1kvc h ARG 132 Ca 0.14 -0.36 -0.02 0.00 -0.81 0.00 0.00 59.98 58.93 1kvc h ARG 132 Cb 0.57 -0.04 -0.04 0.00 -0.42 0.00 0.00 29.97 30.05 1kvc h ARG 132 CO 0.03 1.01 0.39 0.00 -1.51 0.00 0.00 179.97 179.89 1kvc h ASN 134 N 1.06 0.72 -0.44 0.00 -0.73 -1.20 0.10 115.58 115.08 1kvc h ASN 134 Ca 0.26 -0.01 -0.03 0.00 1.87 0.00 0.00 56.30 58.40 1kvc h ASN 134 Cb 0.06 -0.16 -0.02 0.00 0.27 0.00 0.00 38.32 38.47 1kvc h ASN 134 CO -0.04 0.51 0.16 -0.33 -0.37 0.00 0.00 177.43 177.36 1kvc h GLU 135 N 0.85 0.66 -0.32 6.67 5.08 -0.81 -0.87 114.58 125.83 1kvc h GLU 135 Ca 0.26 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 1kvc h GLU 135 Cb -0.03 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 1kvc h GLU 135 CO -0.08 0.62 0.14 -0.07 -1.00 0.00 0.00 179.01 178.62 1kvc h LEU 136 N 0.56 0.44 -0.39 1.33 3.38 -1.14 -1.82 115.31 117.68 1kvc h LEU 136 Ca 0.14 -0.16 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1kvc h LEU 136 Cb 0.22 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 1kvc h LEU 136 CO -0.01 0.48 0.14 0.00 0.09 0.00 0.00 178.44 179.14 1kvc h ALA 137 N 0.98 0.46 -0.37 1.53 0.00 -0.60 -0.96 119.26 120.31 1kvc h ALA 137 Ca 0.11 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.98 1kvc h ALA 137 Cb 0.17 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 1kvc h ALA 137 CO -0.01 -0.24 -0.12 0.00 0.00 0.00 0.00 179.25 178.87 1kvc h ARG 138 N 0.31 0.65 -0.36 0.00 3.08 -1.09 -2.08 114.38 114.88 1kvc h ARG 138 Ca 0.18 -0.21 -0.15 0.00 0.07 0.00 0.00 59.98 59.87 1kvc h ARG 138 Cb 0.15 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 1kvc h ARG 138 CO -0.17 0.75 -0.36 0.00 -1.07 0.00 0.00 179.97 179.12 1kvc h ALA 139 N 1.28 0.53 -0.33 0.04 0.00 -1.00 -2.96 119.26 116.81 1kvc h ALA 139 Ca 0.10 -0.44 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1kvc h ALA 139 Cb 0.56 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1kvc h ALA 139 CO 0.03 0.61 -0.21 0.00 0.00 0.00 0.00 179.25 179.68 1kvc h ALA 140 N 0.75 1.01 -0.42 0.00 0.00 -1.08 -2.85 119.26 116.67 1kvc h ALA 140 Ca 0.06 -0.35 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1kvc h ALA 140 Cb 0.95 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1kvc h ALA 140 CO 0.09 0.59 0.17 0.00 0.00 0.00 0.00 179.25 180.10 1kvc h ALA 141 N 1.21 1.52 0.00 0.00 0.00 -1.33 -1.60 119.26 119.07 1kvc h ALA 141 Ca 0.08 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1kvc h ALA 141 Cb 0.67 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 1kvc h ALA 141 CO 0.05 0.37 -0.07 0.52 0.00 0.00 0.00 179.25 180.12 1kvc h MET 142 N 0.59 0.00 -2.13 0.00 2.86 -1.34 -3.36 114.93 111.55 1kvc h MET 142 Ca 0.15 0.00 -0.54 0.00 -2.06 0.00 0.00 59.70 57.25 1kvc h MET 142 Cb 0.11 0.00 -0.41 0.00 0.06 0.00 0.00 31.60 31.36 1kvc h MET 142 CO -0.02 0.07 -0.93 -1.71 1.06 0.00 0.00 176.91 175.39 1kvc n ASN 143 N -3.13 2.52 -4.77 1.22 2.85 -0.64 -5.10 115.26 108.21 1kvc n ASN 143 Ca 0.03 -3.31 -0.40 0.00 -0.11 0.00 0.00 54.58 50.79 1kvc n ASN 143 Cb 0.50 -0.60 -0.01 0.00 1.24 0.00 0.00 39.78 40.91 1kvc n ASN 143 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1kvc s PRO 144 N -2.83 4.17 0.00 1.20 0.04 -0.98 -4.64 135.00 131.97 1kvc s PRO 144 Ca 0.44 2.22 0.00 0.00 0.04 0.00 0.00 61.00 63.70 1kvc s PRO 144 Cb 0.30 -2.93 0.00 0.00 0.04 0.00 0.00 34.50 31.91 1kvc s PRO 144 CO -0.10 -0.35 0.00 0.25 0.04 0.00 0.00 177.00 176.84 1kvc n THR 145 N 0.48 0.00 -3.11 1.26 -2.24 -0.33 -4.87 114.28 105.47 1kvc n THR 145 Ca 0.02 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 61.55 1kvc n THR 145 Cb 0.42 -0.90 -0.00 0.00 -2.10 0.00 0.00 70.33 67.75 1kvc n THR 145 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1kvc s LEU 146 N -5.37 3.82 0.02 3.22 1.43 -1.09 -4.93 118.68 115.78 1kvc s LEU 146 Ca 0.00 0.49 0.03 0.00 -1.03 0.00 0.00 54.13 53.62 1kvc s LEU 146 Cb 0.00 -3.38 -0.04 0.00 0.03 0.00 0.00 46.19 42.81 1kvc s LEU 146 CO 0.00 -0.48 -0.01 -0.70 0.23 0.00 0.00 176.35 175.38 1kvc s GLU 147 N -4.48 2.67 -0.65 1.70 2.56 -1.26 -0.82 118.70 118.42 1kvc s GLU 147 Ca 0.44 -0.69 -0.16 0.00 0.00 0.00 0.00 54.97 54.56 1kvc s GLU 147 Cb -0.10 -2.60 0.15 0.00 2.00 0.00 0.00 34.13 33.58 1kvc s GLU 147 CO 0.38 0.60 0.64 0.34 -0.56 0.00 0.00 175.26 176.66 1kvc s ASP 148 N -1.71 6.38 0.45 -1.70 2.15 -1.26 -4.92 116.67 116.05 1kvc s ASP 148 Ca 0.20 -2.00 0.21 0.00 0.43 0.00 0.00 52.55 51.40 1kvc s ASP 148 Cb -0.11 -2.23 1.09 0.00 -0.30 0.00 0.00 42.92 41.36 1kvc s ASP 148 CO 0.12 -0.83 1.94 0.71 -0.17 0.00 0.00 175.17 176.94 1kvc h THR 149 N 5.57 0.81 -0.00 1.71 1.35 -1.97 -2.56 112.91 117.82 1kvc h THR 149 Ca -0.16 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1kvc h THR 149 Cb 1.08 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 1kvc h THR 149 CO 0.97 0.22 -0.11 0.61 -0.25 0.00 0.00 175.52 176.96 1kvc n GLY 150 N -0.45 -1.35 3.61 5.82 0.00 -1.26 -4.82 105.19 106.74 1kvc n GLY 150 Ca -0.01 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.40 1kvc n GLY 150 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1kvc s TYR 151 N -2.87 1.24 -0.33 1.61 5.04 -0.97 -4.91 117.35 116.16 1kvc s TYR 151 Ca 0.17 0.42 -0.15 0.00 -2.44 0.00 0.00 57.07 55.07 1kvc s TYR 151 Cb 0.19 -3.98 -0.01 0.00 0.35 0.00 0.00 41.96 38.50 1kvc s TYR 151 CO 0.55 -4.18 0.38 1.14 -1.34 0.00 0.00 175.55 172.10 1kvc s GLN 152 N 6.04 3.63 0.14 4.97 0.00 -1.26 -4.94 119.66 128.23 1kvc s GLN 152 Ca 0.97 -0.33 -0.08 0.00 -0.00 0.00 0.00 55.36 55.92 1kvc s GLN 152 Cb -0.33 -3.79 -0.05 0.00 0.00 0.00 0.00 33.01 28.84 1kvc s GLN 152 CO 0.36 -0.50 1.38 0.28 0.00 0.00 0.00 175.29 176.80 1kvc h VAL 153 N 5.53 1.31 0.00 3.63 2.07 -2.00 -3.46 116.25 123.33 1kvc h VAL 153 Ca -0.30 -1.99 0.00 0.00 0.82 0.00 0.00 66.70 65.23 1kvc h VAL 153 Cb 1.14 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.88 1kvc h VAL 153 CO 0.69 0.62 0.00 -1.84 0.02 0.00 0.00 177.57 177.06 1kvc n GLU 154 N -3.91 0.00 0.00 1.57 -0.00 -1.26 -5.21 120.64 111.82 1kvc n GLU 154 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.10 1kvc n GLU 154 Cb 0.71 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 32.15 1kvc n GLU 154 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68