#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3knm n LEU 6 N 0.00 0.00 -0.10 -2.67 -0.00 -1.26 -5.11 117.00 107.85 3knm n LEU 6 Ca 0.00 0.00 -0.18 0.00 -0.00 0.00 0.00 56.01 55.83 3knm n LEU 6 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 3knm n LEU 6 CO 0.00 0.00 -0.75 -1.14 -0.00 0.00 0.00 177.39 175.50 3knm n ARG 7 N 0.00 0.54 0.00 1.47 3.00 -1.26 -4.23 116.66 116.18 3knm n ARG 7 Ca 0.00 0.44 0.00 0.00 -0.00 0.00 0.00 57.85 58.29 3knm n ARG 7 Cb 0.00 -1.63 0.00 0.00 0.00 0.00 0.00 32.46 30.83 3knm n ARG 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.63 177.28 3knm n PRO 8 N -4.43 0.27 -0.00 -0.14 -0.04 -1.26 -3.68 135.00 125.72 3knm n PRO 8 Ca -0.30 0.00 -0.01 0.00 -0.04 0.00 0.00 63.50 63.15 3knm n PRO 8 Cb 0.62 -1.36 -0.00 0.00 -0.04 0.00 0.00 33.50 32.72 3knm n PRO 8 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 3knm n ASN 9 N 0.86 0.56 -3.82 3.54 4.13 -1.26 -4.92 115.26 114.35 3knm n ASN 9 Ca 0.00 0.08 -0.22 0.00 1.68 0.00 0.00 54.58 56.12 3knm n ASN 9 Cb 0.13 -0.30 -0.18 0.00 -1.54 0.00 0.00 39.78 37.89 3knm n ASN 9 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 3knm n PRO 10 N -3.03 0.00 -4.18 3.52 -0.02 -1.24 -4.79 135.00 125.25 3knm n PRO 10 Ca -0.02 0.00 -0.34 0.00 -2.02 0.00 0.00 63.50 61.12 3knm n PRO 10 Cb 0.08 -0.93 -0.15 0.00 -0.02 0.00 0.00 33.50 32.48 3knm n PRO 10 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3knm s GLY 11 N 1.48 1.54 -0.48 -1.23 0.00 -1.26 -5.02 107.32 102.35 3knm s GLY 11 Ca 1.13 -1.11 -0.45 0.00 0.00 0.00 0.00 44.72 44.30 3knm s GLY 11 CO 0.47 0.24 1.91 0.00 0.00 0.00 0.00 173.10 175.71 3knm n ALA 12 N 4.43 -0.39 -1.93 3.20 0.00 -1.26 -4.81 120.51 119.75 3knm n ALA 12 Ca -0.19 0.31 -0.35 0.00 0.00 0.00 0.00 53.44 53.21 3knm n ALA 12 Cb 0.51 -2.05 -0.06 0.00 0.00 0.00 0.00 19.45 17.85 3knm n ALA 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3knm s ASN 13 N 4.74 7.12 0.00 0.00 2.20 -1.26 -4.76 114.94 122.98 3knm s ASN 13 Ca 1.12 1.62 0.00 0.00 -0.94 0.00 0.00 52.86 54.66 3knm s ASN 13 Cb -1.45 -2.50 0.00 0.00 -2.00 0.00 0.00 41.25 35.30 3knm s ASN 13 CO 0.72 -0.10 0.00 1.17 -2.94 0.00 0.00 177.10 175.94 3knm n LYS 14 N 0.30 0.00 -4.00 3.55 4.81 -1.26 -4.56 118.16 117.00 3knm n LYS 14 Ca 0.02 0.00 -0.33 0.00 -0.87 0.00 0.00 58.31 57.13 3knm n LYS 14 Cb 0.51 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.42 3knm n LYS 14 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 3knm s ARG 15 N 0.00 2.23 -0.01 1.64 0.52 -1.26 -4.80 118.95 117.27 3knm s ARG 15 Ca 0.00 -1.39 0.01 0.00 -0.52 0.00 0.00 55.73 53.83 3knm s ARG 15 Cb 0.00 -3.05 -0.02 0.00 0.52 0.00 0.00 34.95 32.41 3knm s ARG 15 CO 0.00 -0.64 -0.00 2.89 0.02 0.00 0.00 175.30 177.57 3knm n ARG 16 N 4.49 2.87 -2.22 3.54 -4.01 -1.26 -5.05 116.66 115.02 3knm n ARG 16 Ca -0.12 0.00 -0.11 0.00 -1.04 0.00 0.00 57.85 56.59 3knm n ARG 16 Cb 0.42 -1.04 -0.02 0.00 -3.04 0.00 0.00 32.46 28.79 3knm n ARG 16 CO 0.00 0.00 0.00 1.17 -3.04 0.00 0.00 177.63 175.76 3knm n LYS 17 N -2.17 -1.34 0.00 2.89 4.81 -1.26 -4.72 118.16 116.37 3knm n LYS 17 Ca -0.02 0.03 0.00 0.00 -0.87 0.00 0.00 58.31 57.45 3knm n LYS 17 Cb 0.54 -2.11 0.00 0.00 0.02 0.00 0.00 35.03 33.49 3knm n LYS 17 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knm n ARG 18 N -1.68 0.00 -1.40 1.64 5.12 -1.26 -4.26 116.66 114.82 3knm n ARG 18 Ca 0.03 0.18 -0.13 0.00 -1.93 0.00 0.00 57.85 56.00 3knm n ARG 18 Cb 0.22 -1.83 -0.09 0.00 -1.16 0.00 0.00 32.46 29.59 3knm n ARG 18 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 3knm n VAL 19 N -1.19 0.00 -0.63 1.55 0.31 -1.26 -4.87 118.33 112.24 3knm n VAL 19 Ca -0.00 -0.10 -0.17 0.00 -0.01 0.00 0.00 64.34 64.06 3knm n VAL 19 Cb 0.33 -1.58 0.15 0.00 -0.91 0.00 0.00 33.84 31.83 3knm n VAL 19 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3knm n GLY 20 N 5.72 -2.95 3.48 2.92 0.00 -1.26 -4.96 105.19 108.14 3knm n GLY 20 Ca 0.33 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.51 3knm n GLY 20 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3knm s ARG 21 N -4.34 3.13 -0.79 1.61 3.52 -1.26 -5.02 118.95 115.80 3knm s ARG 21 Ca 0.39 -0.88 -0.11 0.00 -0.13 0.00 0.00 55.73 55.01 3knm s ARG 21 Cb -0.05 -3.93 0.21 0.00 -1.56 0.00 0.00 34.95 29.62 3knm s ARG 21 CO 0.31 -0.68 0.70 0.20 -0.81 0.00 0.00 175.30 175.02 3knm s GLY 22 N 1.71 2.66 -1.34 8.12 0.00 -1.26 -4.99 107.32 112.21 3knm s GLY 22 Ca 0.06 -3.34 -0.10 0.00 0.00 0.00 0.00 44.72 41.34 3knm s GLY 22 CO 0.11 1.22 2.05 -1.05 0.00 0.00 0.00 173.10 175.43 3knm n PRO 23 N 3.77 3.56 -3.34 2.90 -0.02 -1.26 -4.76 135.00 135.85 3knm n PRO 23 Ca 0.13 -3.26 -0.17 0.00 -2.02 0.00 0.00 63.50 58.18 3knm n PRO 23 Cb 0.44 -2.97 -0.07 0.00 -0.02 0.00 0.00 33.50 30.88 3knm n PRO 23 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3knm s GLY 24 N 1.36 0.02 0.00 -1.23 0.00 -1.25 -4.41 107.32 101.80 3knm s GLY 24 Ca 0.44 -1.09 0.00 0.00 0.00 0.00 0.00 44.72 44.07 3knm s GLY 24 CO -0.03 2.73 0.00 -1.14 0.00 0.00 0.00 173.10 174.66 3knm n SER 25 N 4.05 0.00 0.00 1.64 3.41 -1.26 -5.00 113.62 116.46 3knm n SER 25 Ca 0.13 0.00 0.07 0.00 -0.26 0.00 0.00 58.87 58.81 3knm n SER 25 Cb 0.46 0.00 0.43 0.00 -0.26 0.00 0.00 64.21 64.84 3knm n SER 25 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3knm n GLY 26 N -0.66 -0.59 2.89 5.00 0.00 -1.26 -3.76 105.19 106.81 3knm n GLY 26 Ca 0.00 -0.09 -0.20 0.00 0.00 0.00 0.00 46.02 45.73 3knm n GLY 26 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3knm s HIS 27 N -2.00 0.75 0.00 1.61 5.65 -1.26 -4.87 115.29 115.16 3knm s HIS 27 Ca 0.22 -0.21 0.00 0.00 0.25 0.00 0.00 55.06 55.32 3knm s HIS 27 Cb 0.10 -0.66 0.00 0.00 -1.18 0.00 0.00 32.58 30.84 3knm s HIS 27 CO 0.17 -0.19 0.00 0.41 -0.65 0.00 0.00 174.74 174.48 3knm n GLY 28 N 4.03 1.17 2.02 1.59 0.00 -1.26 -4.33 105.19 108.40 3knm n GLY 28 Ca -0.25 -0.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.87 3knm n GLY 28 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3knm n LYS 29 N 0.39 1.89 0.00 1.61 4.01 -1.26 -4.94 118.16 119.87 3knm n LYS 29 Ca 0.00 -1.24 0.00 0.00 -0.51 0.00 0.00 58.31 56.56 3knm n LYS 29 Cb 0.00 -1.80 0.00 0.00 -0.51 0.00 0.00 35.03 32.72 3knm n LYS 29 CO 0.00 0.00 0.00 2.41 -1.11 0.00 0.00 177.40 178.70 3knm n THR 30 N 1.62 0.00 0.00 -0.18 -1.04 -1.26 -3.89 114.28 109.53 3knm n THR 30 Ca 0.35 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.36 3knm n THR 30 Cb 0.70 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.21 3knm n THR 30 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 3knm n ALA 31 N -1.90 0.00 1.05 2.41 0.00 -1.25 0.14 120.51 120.95 3knm n ALA 31 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.55 3knm n ALA 31 Cb 0.00 0.00 0.12 0.00 0.00 0.00 0.00 19.45 19.57 3knm n ALA 31 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3knm n THR 32 N -0.66 0.00 -0.11 0.00 -2.24 -1.26 -5.04 114.28 104.96 3knm n THR 32 Ca 0.00 -0.07 0.01 0.00 -2.27 0.00 0.00 64.05 61.72 3knm n THR 32 Cb 0.00 0.67 -0.01 0.00 -2.10 0.00 0.00 70.33 68.89 3knm n THR 32 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 3knm n ARG 33 N -1.10 -0.27 -0.82 -0.78 3.00 0.36 -4.67 116.66 112.38 3knm n ARG 33 Ca 0.07 0.22 -0.31 0.00 -0.00 0.00 0.00 57.85 57.82 3knm n ARG 33 Cb 0.36 -0.30 -0.04 0.00 0.00 0.00 0.00 32.46 32.48 3knm n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 3knm n GLY 34 N -2.03 -0.28 0.46 5.14 0.00 -1.26 -4.27 105.19 102.95 3knm n GLY 34 Ca -0.01 0.38 0.06 0.00 0.00 0.00 0.00 46.02 46.45 3knm n GLY 34 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 3knm n HIS 35 N 0.70 -1.05 -0.07 1.61 -0.00 -1.26 -5.02 115.22 110.13 3knm n HIS 35 Ca 0.11 0.53 0.00 0.00 -0.00 0.00 0.00 57.72 58.36 3knm n HIS 35 Cb 0.06 -0.96 0.00 0.00 -0.00 0.00 0.00 29.99 29.09 3knm n HIS 35 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 3knm n LYS 36 N -1.69 0.00 0.00 -1.40 5.02 -1.26 -4.83 118.16 114.00 3knm n LYS 36 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 3knm n LYS 36 Cb 0.55 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.56 3knm n LYS 36 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3knm n GLY 37 N -0.28 1.97 0.00 0.72 0.00 -1.26 -4.97 105.19 101.37 3knm n GLY 37 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knm n GLY 37 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLN 38 N -0.40 0.00 0.00 1.61 10.64 -1.26 -5.18 117.38 122.79 3knm n GLN 38 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 3knm n GLN 38 Cb 0.00 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.38 3knm n GLN 38 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 3knm n LYS 39 N -0.23 0.00 0.00 2.61 4.76 -1.26 -5.04 118.16 119.00 3knm n LYS 39 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3knm n LYS 39 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3knm n LYS 39 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3knm n SER 40 N 0.00 0.00 -2.73 4.39 2.88 -1.26 -5.01 113.62 111.89 3knm n SER 40 Ca 0.00 0.00 -0.07 0.00 -1.33 0.00 0.00 58.87 57.47 3knm n SER 40 Cb 0.00 0.00 0.05 0.00 -0.75 0.00 0.00 64.21 63.51 3knm n SER 40 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3knm n ARG 41 N 0.00 0.57 0.03 -1.46 5.12 -1.26 -4.59 116.66 115.07 3knm n ARG 41 Ca 0.00 -1.43 0.00 0.00 -1.93 0.00 0.00 57.85 54.49 3knm n ARG 41 Cb 0.00 -1.09 0.00 0.00 -1.16 0.00 0.00 32.46 30.21 3knm n ARG 41 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 3knm n SER 42 N 1.70 0.05 -0.74 0.55 7.64 -1.26 -4.92 113.62 116.64 3knm n SER 42 Ca 0.07 0.11 -0.01 0.00 1.01 0.00 0.00 58.87 60.06 3knm n SER 42 Cb 0.65 0.06 -0.01 0.00 -1.01 0.00 0.00 64.21 63.90 3knm n SER 42 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3knm n GLY 43 N 1.96 0.76 0.00 0.23 0.00 -1.26 -5.12 105.19 101.75 3knm n GLY 43 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3knm n GLY 43 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 44 N 0.08 3.41 3.06 -0.02 0.00 -1.26 -5.07 105.19 105.38 3knm n GLY 44 Ca -0.04 -1.74 -0.31 0.00 0.00 0.00 0.00 46.02 43.93 3knm n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3knm s LEU 45 N 0.00 1.87 0.00 0.99 0.20 -1.26 -4.66 118.68 115.82 3knm s LEU 45 Ca 0.00 -0.56 0.00 0.00 0.69 0.00 0.00 54.13 54.26 3knm s LEU 45 Cb 0.00 -1.31 0.00 0.00 -0.43 0.00 0.00 46.19 44.45 3knm s LEU 45 CO 0.00 -0.03 0.00 1.17 -0.29 0.00 0.00 176.35 177.20 3knm n LYS 46 N 4.71 0.00 0.00 1.98 3.00 -1.26 -4.62 118.16 121.97 3knm n LYS 46 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.12 3knm n LYS 46 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.53 3knm n LYS 46 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 3knm n ASP 47 N 0.00 0.00 0.00 3.14 -0.08 -1.26 -5.07 116.55 113.28 3knm n ASP 47 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 3knm n ASP 47 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3knm n ASP 47 CO 0.00 0.00 0.00 -0.81 0.12 0.00 0.00 177.20 176.51 3knm n PRO 48 N 0.00 0.00 0.00 -0.67 -0.04 -1.26 -5.05 135.00 127.98 3knm n PRO 48 Ca 0.00 0.16 0.00 0.00 -0.04 0.00 0.00 63.50 63.62 3knm n PRO 48 Cb 0.00 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 32.69 3knm n PRO 48 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3knm n ARG 49 N -0.97 0.00 -0.06 0.54 1.74 -1.26 0.13 116.66 116.78 3knm n ARG 49 Ca 0.00 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.88 3knm n ARG 49 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 3knm n ARG 49 CO 0.00 0.00 0.00 0.07 -1.52 0.00 0.00 177.63 176.18 3knm h ARG 50 N 0.00 0.09 0.00 5.56 0.11 -2.01 -3.49 114.38 114.63 3knm h ARG 50 Ca 0.00 -0.15 -0.07 0.00 0.10 0.00 0.00 59.98 59.86 3knm h ARG 50 Cb 0.00 0.06 0.04 0.00 1.11 0.00 0.00 29.97 31.18 3knm h ARG 50 CO 0.00 1.07 -0.03 1.19 0.10 0.00 0.00 179.97 182.30 3knm n PHE 51 N -4.26 -1.70 -0.21 4.08 3.72 0.34 -4.68 117.46 114.75 3knm n PHE 51 Ca -0.26 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.49 3knm n PHE 51 Cb 0.73 -1.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.01 3knm n PHE 51 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3knm n GLU 52 N 1.07 0.00 0.00 -1.08 -0.58 -1.26 -4.85 120.64 113.94 3knm n GLU 52 Ca 0.03 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.77 3knm n GLU 52 Cb 0.12 -0.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.78 3knm n GLU 52 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knm n GLY 53 N -1.09 2.28 0.00 0.62 0.00 -1.26 -4.65 105.19 101.09 3knm n GLY 53 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3knm n GLY 53 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 54 N 0.00 1.84 0.00 -0.02 0.00 -1.26 -5.06 105.19 100.69 3knm n GLY 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3knm n GLY 54 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3knm n ARG 55 N -0.01 0.00 0.00 1.61 1.74 -1.26 -4.99 116.66 113.75 3knm n ARG 55 Ca 0.00 0.04 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 3knm n ARG 55 Cb 0.00 -0.52 0.00 0.00 -1.02 0.00 0.00 32.46 30.92 3knm n ARG 55 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 3knm n SER 56 N -0.70 0.00 0.00 0.55 3.41 -1.26 -5.06 113.62 110.56 3knm n SER 56 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 3knm n SER 56 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 3knm n SER 56 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 3knm n THR 57 N 0.00 0.00 0.00 6.66 -2.24 -1.26 -2.07 114.28 115.37 3knm n THR 57 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 3knm n THR 57 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 3knm n THR 57 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 175.07 174.91 3knm n THR 58 N 0.00 0.00 -0.46 4.28 -1.04 -1.26 -4.92 114.28 110.88 3knm n THR 58 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 3knm n THR 58 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3knm n THR 58 CO 0.00 0.00 0.00 -0.11 -0.64 0.00 0.00 175.07 174.32 3knm n LEU 59 N 0.00 1.14 0.17 -4.42 7.94 -0.88 -4.57 117.00 116.38 3knm n LEU 59 Ca 0.00 -1.16 0.03 0.00 -1.11 0.00 0.00 56.01 53.77 3knm n LEU 59 Cb 0.00 -0.01 0.29 0.00 0.53 0.00 0.00 43.42 44.23 3knm n LEU 59 CO 0.00 0.29 0.62 0.24 -1.11 0.00 0.00 177.39 177.43 3knm h MET 60 N 0.00 0.00 -6.62 1.96 2.86 -1.92 -3.44 114.93 107.77 3knm h MET 60 Ca 0.00 0.00 -0.52 0.00 -2.06 0.00 0.00 59.70 57.12 3knm h MET 60 Cb 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 3knm h MET 60 CO 0.00 0.46 0.50 -0.98 1.06 0.00 0.00 176.91 177.94 3knm s ARG 61 N -3.68 4.55 1.09 1.72 1.04 -1.26 -5.03 118.95 117.38 3knm s ARG 61 Ca -0.01 1.73 -0.16 0.00 -1.04 0.00 0.00 55.73 56.25 3knm s ARG 61 Cb 0.12 -3.29 0.12 0.00 -2.04 0.00 0.00 34.95 29.86 3knm s ARG 61 CO 0.72 -0.00 0.28 1.47 -0.04 0.00 0.00 175.30 177.72 3knm n LEU 62 N 2.71 -1.55 -0.00 -1.89 -0.00 -1.26 -4.98 117.00 110.03 3knm n LEU 62 Ca 0.04 -0.02 0.04 0.00 -0.00 0.00 0.00 56.01 56.08 3knm n LEU 62 Cb 0.46 -1.07 -0.05 0.00 -0.00 0.00 0.00 43.42 42.76 3knm n LEU 62 CO 0.54 -3.21 -0.02 -0.81 -0.00 0.00 0.00 177.39 173.90 3knm n PRO 63 N -2.51 4.10 0.00 1.47 -0.04 -1.26 -4.98 135.00 131.78 3knm n PRO 63 Ca 0.03 -0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.48 3knm n PRO 63 Cb 0.59 -0.91 0.00 0.00 -0.04 0.00 0.00 33.50 33.13 3knm n PRO 63 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 3knm n LYS 64 N -1.20 0.00 -2.37 0.54 4.81 -1.26 -4.26 118.16 114.42 3knm n LYS 64 Ca 0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 3knm n LYS 64 Cb 0.14 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.19 3knm n LYS 64 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knm n ARG 65 N 0.00 -0.73 -0.06 1.64 1.74 -1.26 -4.69 116.66 113.30 3knm n ARG 65 Ca 0.00 -0.28 -0.06 0.00 -0.77 0.00 0.00 57.85 56.74 3knm n ARG 65 Cb 0.00 0.50 0.06 0.00 -1.02 0.00 0.00 32.46 32.00 3knm n ARG 65 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3knm n GLY 66 N -0.65 -3.47 2.82 -0.13 0.00 -1.26 -4.59 105.19 97.92 3knm n GLY 66 Ca 0.00 -1.14 -0.03 0.00 0.00 0.00 0.00 46.02 44.85 3knm n GLY 66 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3knm n MET 67 N -2.56 -2.91 0.00 1.61 0.00 -1.26 -4.94 117.12 107.06 3knm n MET 67 Ca 0.03 2.42 0.00 0.00 -0.00 0.00 0.00 57.70 60.14 3knm n MET 67 Cb 0.12 -4.93 0.00 0.00 0.00 0.00 0.00 33.22 28.41 3knm n MET 67 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 175.97 177.01 3knm n GLN 68 N 0.51 0.34 0.00 2.12 6.02 -1.26 -5.09 117.38 120.02 3knm n GLN 68 Ca 0.02 -0.56 0.00 0.00 -0.01 0.00 0.00 57.00 56.45 3knm n GLN 68 Cb 0.18 -0.75 0.00 0.00 1.02 0.00 0.00 30.24 30.69 3knm n GLN 68 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3knm n GLY 69 N -0.10 3.98 0.00 1.08 0.00 -1.26 -5.12 105.19 103.76 3knm n GLY 69 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 3knm n GLY 69 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3knm n GLN 70 N 0.00 3.40 0.03 1.61 -0.06 -1.26 -5.11 117.38 115.99 3knm n GLN 70 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.00 3knm n GLN 70 Cb 0.00 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 26.18 3knm n GLN 70 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3knm n VAL 71 N 0.00 0.60 0.07 1.69 3.14 -1.26 -4.68 118.33 117.89 3knm n VAL 71 Ca 0.00 0.20 0.07 0.00 -2.96 0.00 0.00 64.34 61.65 3knm n VAL 71 Cb 0.00 -1.43 0.10 0.00 -1.06 0.00 0.00 33.84 31.45 3knm n VAL 71 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 3knm n PRO 72 N -3.25 0.01 0.00 1.45 -0.02 -1.26 -4.69 135.00 127.25 3knm n PRO 72 Ca 0.00 0.59 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 3knm n PRO 72 Cb 0.20 -1.53 0.00 0.00 -0.02 0.00 0.00 33.50 32.15 3knm n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3knm n GLY 73 N -1.20 0.45 3.76 -1.23 0.00 -1.26 -5.08 105.19 100.63 3knm n GLY 73 Ca 0.06 -1.30 -0.22 0.00 0.00 0.00 0.00 46.02 44.55 3knm n GLY 73 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3knm s GLU 74 N -2.00 2.58 -0.11 1.61 -1.05 -1.26 -4.45 118.70 114.03 3knm s GLU 74 Ca 0.00 -1.32 -0.26 0.00 -0.15 0.00 0.00 54.97 53.24 3knm s GLU 74 Cb 0.00 -2.35 -0.02 0.00 -0.44 0.00 0.00 34.13 31.32 3knm s GLU 74 CO 0.00 0.26 0.84 0.42 0.95 0.00 0.00 175.26 177.73 3knm s ILE 75 N -2.29 4.91 -0.53 1.83 1.09 -1.26 -4.98 121.20 119.97 3knm s ILE 75 Ca 0.35 1.71 -0.28 0.00 -1.10 0.00 0.00 60.65 61.33 3knm s ILE 75 Cb -0.06 -4.17 0.00 0.00 -1.06 0.00 0.00 42.46 37.18 3knm s ILE 75 CO 0.23 0.10 1.57 -0.75 -0.10 0.00 0.00 174.94 176.00 3knm s LYS 76 N 1.59 3.17 0.10 2.79 2.20 -1.26 -4.98 119.74 123.36 3knm s LYS 76 Ca 0.42 0.65 0.07 0.00 -0.36 0.00 0.00 55.97 56.75 3knm s LYS 76 Cb -0.18 -4.19 -0.03 0.00 -1.51 0.00 0.00 37.83 31.92 3knm s LYS 76 CO 0.17 -2.09 -0.18 -0.98 -0.36 0.00 0.00 175.35 171.92 3knm s ARG 77 N 5.84 1.05 -0.20 4.03 1.70 -1.26 -5.10 118.95 125.01 3knm s ARG 77 Ca 0.60 -1.15 -0.29 0.00 -0.47 0.00 0.00 55.73 54.42 3knm s ARG 77 Cb -0.13 -1.17 -0.06 0.00 -0.57 0.00 0.00 34.95 33.02 3knm s ARG 77 CO 0.26 0.26 2.20 -0.35 -1.08 0.00 0.00 175.30 176.58 3knm n PRO 78 N 0.97 2.01 -3.31 3.89 -0.04 -1.26 -4.98 135.00 132.27 3knm n PRO 78 Ca -0.19 0.58 -0.38 0.00 -0.04 0.00 0.00 63.50 63.47 3knm n PRO 78 Cb 0.55 -3.17 -0.06 0.00 -0.04 0.00 0.00 33.50 30.78 3knm n PRO 78 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 3knm s ARG 79 N 6.15 4.31 0.25 0.54 3.52 -1.26 -5.07 118.95 127.38 3knm s ARG 79 Ca 1.00 0.49 0.06 0.00 -0.13 0.00 0.00 55.73 57.15 3knm s ARG 79 Cb -0.38 -3.41 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 3knm s ARG 79 CO 0.37 0.21 0.26 0.71 -0.81 0.00 0.00 175.30 176.04 3knm s TYR 80 N 0.44 3.25 -0.03 5.12 2.02 -1.26 -3.77 117.35 123.12 3knm s TYR 80 Ca 0.27 -0.07 0.01 0.00 -0.37 0.00 0.00 57.07 56.90 3knm s TYR 80 Cb -0.16 -1.47 0.02 0.00 -0.40 0.00 0.00 41.96 39.96 3knm s TYR 80 CO 0.11 0.49 -0.01 -1.14 -1.57 0.00 0.00 175.55 173.43 3knm s GLN 81 N -3.89 0.40 0.40 -0.62 2.00 -0.36 -4.97 119.66 112.62 3knm s GLN 81 Ca 0.33 0.02 -0.21 0.00 -2.00 0.00 0.00 55.36 53.51 3knm s GLN 81 Cb -0.08 -0.52 -0.11 0.00 0.80 0.00 0.00 33.01 33.10 3knm s GLN 81 CO 0.27 -0.10 0.92 0.20 -0.50 0.00 0.00 175.29 176.07 3knm s GLY 82 N 0.89 2.43 -0.30 2.59 0.00 -1.26 -1.14 107.32 110.53 3knm s GLY 82 Ca -0.10 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 44.97 3knm s GLY 82 CO -0.01 0.65 0.65 0.54 0.00 0.00 0.00 173.10 174.92 3knm s VAL 83 N -2.09 -0.93 0.78 1.40 0.11 -0.88 -4.89 120.40 113.91 3knm s VAL 83 Ca 0.59 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 59.52 3knm s VAL 83 Cb -0.10 -0.99 0.07 0.00 -1.53 0.00 0.00 36.38 33.83 3knm s VAL 83 CO 0.15 0.00 1.14 0.20 -3.33 0.00 0.00 175.10 173.26 3knm s ASN 84 N 2.87 4.09 0.22 3.54 0.01 -1.26 -3.04 114.94 121.35 3knm s ASN 84 Ca 0.17 2.10 -0.08 0.00 -0.71 0.00 0.00 52.86 54.34 3knm s ASN 84 Cb -0.14 -2.56 0.30 0.00 0.41 0.00 0.00 41.25 39.27 3knm s ASN 84 CO -0.21 -2.32 1.76 -0.07 -1.51 0.00 0.00 177.10 174.74 3knm h LEU 85 N -0.90 0.31 -0.84 0.60 3.38 -1.38 -1.07 115.31 115.41 3knm h LEU 85 Ca -0.45 0.07 0.20 0.00 0.09 0.00 0.00 57.88 57.79 3knm h LEU 85 Cb 1.26 0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.88 3knm h LEU 85 CO 0.49 0.18 -0.10 1.17 0.09 0.00 0.00 178.44 180.27 3knm n LYS 86 N -4.95 -0.07 0.00 1.13 4.81 -0.31 0.20 118.16 118.98 3knm n LYS 86 Ca 0.10 1.29 0.09 0.00 -0.87 0.00 0.00 58.31 58.92 3knm n LYS 86 Cb 0.28 -1.98 0.55 0.00 0.02 0.00 0.00 35.03 33.90 3knm n LYS 86 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3knm n ASP 87 N -5.29 0.00 -0.00 3.14 8.00 -0.41 -3.26 116.55 118.73 3knm n ASP 87 Ca 0.17 -0.92 0.09 0.00 0.71 0.00 0.00 54.79 54.84 3knm n ASP 87 Cb 0.53 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.51 3knm n ASP 87 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3knm n LEU 88 N -0.89 0.47 -0.04 0.64 4.32 0.54 -4.43 117.00 117.62 3knm n LEU 88 Ca 0.14 -0.28 -0.00 0.00 -0.02 0.00 0.00 56.01 55.85 3knm n LEU 88 Cb 0.06 0.00 0.29 0.00 -1.62 0.00 0.00 43.42 42.15 3knm n LEU 88 CO 0.10 0.12 0.99 0.00 -1.22 0.00 0.00 177.39 177.38 3knm h ALA 89 N 2.17 1.39 0.00 -1.18 0.00 -1.54 -3.07 119.26 117.03 3knm h ALA 89 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3knm h ALA 89 Cb 0.61 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3knm h ALA 89 CO 0.00 0.44 0.15 -2.13 0.00 0.00 0.00 179.25 177.71 3knm n ARG 90 N -4.31 0.00 -3.63 0.00 0.63 -1.26 -4.43 116.66 103.66 3knm n ARG 90 Ca 0.02 0.04 -0.06 0.00 -0.92 0.00 0.00 57.85 56.94 3knm n ARG 90 Cb 0.21 -1.65 -0.06 0.00 0.45 0.00 0.00 32.46 31.40 3knm n ARG 90 CO 0.00 0.00 0.00 -0.59 -2.51 0.00 0.00 177.63 174.53 3knm s PHE 91 N -1.61 -0.24 0.00 -0.14 -0.71 -1.16 -5.18 117.98 108.94 3knm s PHE 91 Ca 0.00 0.52 0.00 0.00 -1.04 0.00 0.00 56.93 56.41 3knm s PHE 91 Cb 0.00 0.44 0.00 0.00 -1.21 0.00 0.00 43.02 42.25 3knm s PHE 91 CO 0.00 -0.14 0.00 0.39 -1.34 0.00 0.00 175.22 174.13 3knm n GLU 92 N 1.45 2.37 0.00 1.99 1.02 -1.26 -4.98 120.64 121.23 3knm n GLU 92 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3knm n GLU 92 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 3knm n GLU 92 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3knm n GLY 93 N 5.00 -0.85 3.63 0.62 0.00 -1.26 -4.66 105.19 107.66 3knm n GLY 93 Ca 0.00 -1.15 -0.42 0.00 0.00 0.00 0.00 46.02 44.45 3knm n GLY 93 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knm s GLU 94 N 0.00 4.01 -0.14 1.61 2.12 -1.26 -3.64 118.70 121.41 3knm s GLU 94 Ca 0.00 0.82 -0.06 0.00 0.36 0.00 0.00 54.97 56.08 3knm s GLU 94 Cb 0.00 -3.73 -0.04 0.00 0.26 0.00 0.00 34.13 30.62 3knm s GLU 94 CO 0.00 -0.77 0.09 0.14 -0.54 0.00 0.00 175.26 174.18 3knm s VAL 95 N 3.25 5.05 0.21 3.70 -7.23 -0.71 -5.00 120.40 119.68 3knm s VAL 95 Ca 0.38 0.05 -0.10 0.00 -1.81 0.00 0.00 61.98 60.49 3knm s VAL 95 Cb -0.13 -3.22 -0.01 0.00 0.56 0.00 0.00 36.38 33.58 3knm s VAL 95 CO 0.13 0.56 0.38 0.42 -0.31 0.00 0.00 175.10 176.28 3knm s THR 96 N -0.51 0.02 0.00 5.32 -4.23 -1.26 -0.57 115.64 114.41 3knm s THR 96 Ca 0.11 -1.45 0.00 0.00 -1.18 0.00 0.00 61.69 59.17 3knm s THR 96 Cb -0.12 -2.11 0.00 0.00 1.34 0.00 0.00 72.50 71.62 3knm s THR 96 CO 0.02 -0.09 0.00 -2.65 -0.54 0.00 0.00 174.62 171.36 3knm n PRO 97 N -0.32 0.48 0.00 3.99 -0.02 -1.24 0.93 135.00 138.81 3knm n PRO 97 Ca -0.03 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.45 3knm n PRO 97 Cb 0.63 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.11 3knm n PRO 97 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3knm n GLU 98 N -0.35 0.00 -0.06 -0.52 0.28 -1.26 -1.82 120.64 116.91 3knm n GLU 98 Ca 0.00 0.00 -0.13 0.00 -0.16 0.00 0.00 57.16 56.87 3knm n GLU 98 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 3knm n GLU 98 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 3knm h LEU 99 N 0.00 0.42 -0.58 -1.84 6.46 -2.00 -2.15 115.31 115.62 3knm h LEU 99 Ca 0.00 -0.46 0.00 0.00 -0.12 0.00 0.00 57.88 57.30 3knm h LEU 99 Cb 0.00 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 39.81 3knm h LEU 99 CO 0.00 0.79 0.00 -0.11 -0.62 0.00 0.00 178.44 178.50 3knm n LEU 100 N -4.54 0.58 0.03 2.25 7.94 0.26 -1.76 117.00 121.77 3knm n LEU 100 Ca -0.06 0.64 -0.04 0.00 -1.11 0.00 0.00 56.01 55.45 3knm n LEU 100 Cb 0.36 -0.56 -0.09 0.00 0.53 0.00 0.00 43.42 43.65 3knm n LEU 100 CO 0.40 -0.50 -0.22 -0.37 -1.11 0.00 0.00 177.39 175.58 3knm h VAL 101 N 0.00 0.83 -0.20 1.96 -1.51 -1.59 -3.18 116.25 112.56 3knm h VAL 101 Ca 0.00 -2.46 0.03 0.00 -1.23 0.00 0.00 66.70 63.04 3knm h VAL 101 Cb 0.36 2.32 -0.01 0.00 -2.13 0.00 0.00 31.29 31.83 3knm h VAL 101 CO 0.00 0.47 0.13 -0.09 -1.23 0.00 0.00 177.57 176.86 3knm h ARG 102 N 0.00 0.15 0.00 5.19 2.43 -0.69 -3.40 114.38 118.07 3knm h ARG 102 Ca -0.17 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.00 3knm h ARG 102 Cb 1.74 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 31.25 3knm h ARG 102 CO 0.07 0.10 0.00 0.00 -1.51 0.00 0.00 179.97 178.63 3knm n ALA 103 N -2.54 0.00 -0.83 2.80 0.00 -1.16 -4.90 120.51 113.88 3knm n ALA 103 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 53.44 53.38 3knm n ALA 103 Cb 0.16 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.88 3knm n ALA 103 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 104 N 2.19 3.49 3.08 0.00 0.00 -1.26 -4.94 105.19 107.75 3knm n GLY 104 Ca 0.00 -0.89 -0.07 0.00 0.00 0.00 0.00 46.02 45.05 3knm n GLY 104 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3knm s LEU 105 N -2.69 2.47 0.00 0.99 2.34 -1.26 -4.98 118.68 115.55 3knm s LEU 105 Ca 0.50 -0.95 0.00 0.00 0.06 0.00 0.00 54.13 53.74 3knm s LEU 105 Cb 0.40 0.17 0.00 0.00 -0.56 0.00 0.00 46.19 46.20 3knm s LEU 105 CO 0.12 -0.56 0.00 -0.11 -1.06 0.00 0.00 176.35 174.74 3knm n LEU 106 N 0.25 0.00 -1.67 1.48 7.94 -1.26 -3.77 117.00 119.97 3knm n LEU 106 Ca -0.15 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.75 3knm n LEU 106 Cb 0.60 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.55 3knm n LEU 106 CO 0.27 0.00 0.00 2.29 -1.11 0.00 0.00 177.39 178.84 3knm n LYS 107 N 0.00 0.00 0.00 1.96 2.85 -1.26 -3.41 118.16 118.29 3knm n LYS 107 Ca 0.00 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.26 3knm n LYS 107 Cb 0.00 -0.50 0.00 0.00 -0.65 0.00 0.00 35.03 33.88 3knm n LYS 107 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 177.40 178.98 3knm n LYS 108 N 1.68 0.00 0.03 -1.58 4.01 -1.26 -4.44 118.16 116.59 3knm n LYS 108 Ca 0.00 0.00 0.03 0.00 -0.51 0.00 0.00 58.31 57.83 3knm n LYS 108 Cb 0.00 -1.91 0.15 0.00 -0.51 0.00 0.00 35.03 32.76 3knm n LYS 108 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 3knm n GLY 109 N -0.78 -0.66 1.00 0.72 0.00 -1.22 -4.91 105.19 99.33 3knm n GLY 109 Ca 0.00 0.02 0.09 0.00 0.00 0.00 0.00 46.02 46.13 3knm n GLY 109 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3knm n TYR 110 N -1.63 -2.00 -2.99 1.61 9.36 -1.26 -4.65 117.16 115.60 3knm n TYR 110 Ca 0.00 1.10 -0.12 0.00 3.32 0.00 0.00 57.90 62.21 3knm n TYR 110 Cb 0.04 -1.82 0.01 0.00 -0.63 0.00 0.00 39.34 36.94 3knm n TYR 110 CO 0.00 0.00 0.00 0.54 0.22 0.00 0.00 176.86 177.62 3knm n ARG 111 N -3.66 -2.34 -2.12 2.98 1.74 -1.25 -4.01 116.66 108.00 3knm n ARG 111 Ca -0.05 2.00 -0.42 0.00 -0.77 0.00 0.00 57.85 58.62 3knm n ARG 111 Cb 0.38 -4.42 -0.03 0.00 -1.02 0.00 0.00 32.46 27.36 3knm n ARG 111 CO 0.00 0.00 0.00 -1.17 -1.52 0.00 0.00 177.63 174.94 3knm s LEU 112 N -2.22 4.36 -0.18 0.55 1.98 -1.26 -1.22 118.68 120.69 3knm s LEU 112 Ca 0.20 2.34 -0.01 0.00 -2.89 0.00 0.00 54.13 53.77 3knm s LEU 112 Cb -0.04 -3.58 0.05 0.00 0.66 0.00 0.00 46.19 43.28 3knm s LEU 112 CO 0.73 -0.72 -0.04 -0.75 -1.89 0.00 0.00 176.35 173.68 3knm s LYS 113 N 1.60 1.30 -0.01 1.98 2.20 -0.30 -0.22 119.74 126.31 3knm s LYS 113 Ca 0.66 -0.54 -0.14 0.00 -0.36 0.00 0.00 55.97 55.59 3knm s LYS 113 Cb -0.37 -2.07 -0.06 0.00 -1.51 0.00 0.00 37.83 33.83 3knm s LYS 113 CO 0.30 -0.48 0.38 -1.50 -0.36 0.00 0.00 175.35 173.68 3knm s ILE 114 N 1.65 5.08 0.09 5.43 1.10 -0.50 -2.08 121.20 131.98 3knm s ILE 114 Ca -0.00 0.75 0.02 0.00 -0.51 0.00 0.00 60.65 60.90 3knm s ILE 114 Cb -0.16 -3.67 -0.01 0.00 0.15 0.00 0.00 42.46 38.77 3knm s ILE 114 CO -0.07 0.56 0.08 0.00 -2.11 0.00 0.00 174.94 173.40 3knm n LEU 115 N 1.77 0.00 0.00 8.50 -0.00 -1.17 -1.95 117.00 124.15 3knm n LEU 115 Ca -0.14 -0.87 0.00 0.00 -0.00 0.00 0.00 56.01 55.00 3knm n LEU 115 Cb 0.53 0.48 0.00 0.00 -0.00 0.00 0.00 43.42 44.43 3knm n LEU 115 CO 0.37 -0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.22 3knm n GLY 116 N -0.17 -2.44 0.34 1.47 0.00 -1.26 -2.17 105.19 100.95 3knm n GLY 116 Ca 0.02 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.23 3knm n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3knm n GLU 117 N -1.26 0.00 -0.22 1.61 -0.58 -1.26 -3.46 120.64 115.47 3knm n GLU 117 Ca 0.00 0.34 0.03 0.00 -0.42 0.00 0.00 57.16 57.11 3knm n GLU 117 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3knm n GLU 117 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3knm n GLY 118 N 0.50 -2.19 3.88 0.62 0.00 -1.26 -1.16 105.19 105.58 3knm n GLY 118 Ca 0.00 -1.43 -0.32 0.00 0.00 0.00 0.00 46.02 44.27 3knm n GLY 118 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3knm s GLU 119 N -2.40 3.31 0.19 1.61 -6.30 -1.26 -4.57 118.70 109.28 3knm s GLU 119 Ca 0.00 -0.46 -0.26 0.00 -2.50 0.00 0.00 54.97 51.75 3knm s GLU 119 Cb 0.00 -2.98 -0.08 0.00 0.00 0.00 0.00 34.13 31.07 3knm s GLU 119 CO 0.00 0.62 0.81 0.00 0.02 0.00 0.00 175.26 176.72 3knm s ALA 120 N -1.41 3.42 -0.01 6.30 0.00 -1.23 -4.58 121.76 124.25 3knm s ALA 120 Ca 0.31 0.41 -0.12 0.00 0.00 0.00 0.00 51.96 52.57 3knm s ALA 120 Cb -0.13 -3.01 -0.05 0.00 0.00 0.00 0.00 23.12 19.93 3knm s ALA 120 CO 0.23 0.27 0.34 0.15 0.00 0.00 0.00 175.76 176.76 3knm s LYS 121 N -1.21 3.77 -0.71 0.00 1.02 -1.26 -4.87 119.74 116.48 3knm s LYS 121 Ca 0.37 0.22 -0.28 0.00 0.02 0.00 0.00 55.97 56.31 3knm s LYS 121 Cb -0.23 -3.16 -0.28 0.00 -0.52 0.00 0.00 37.83 33.64 3knm s LYS 121 CO 0.27 0.68 1.92 -2.30 -0.92 0.00 0.00 175.35 175.00 3knm n PRO 122 N 1.61 0.21 -4.15 -1.68 -0.02 -1.22 -4.75 135.00 125.00 3knm n PRO 122 Ca -0.14 -1.52 -0.15 0.00 -2.02 0.00 0.00 63.50 59.67 3knm n PRO 122 Cb 0.53 -3.40 -0.13 0.00 -0.02 0.00 0.00 33.50 30.47 3knm n PRO 122 CO 0.00 0.00 0.00 -0.48 1.98 0.00 0.00 175.50 177.00 3knm s LEU 123 N 10.47 2.11 0.34 2.45 0.05 -1.26 -4.75 118.68 128.10 3knm s LEU 123 Ca 0.76 -0.30 -0.28 0.00 0.05 0.00 0.00 54.13 54.36 3knm s LEU 123 Cb 0.03 -0.27 -0.12 0.00 -2.05 0.00 0.00 46.19 43.78 3knm s LEU 123 CO 0.24 -0.03 1.35 1.17 -0.55 0.00 0.00 176.35 178.53 3knm n LYS 124 N 2.31 2.27 -3.53 1.48 4.81 -0.99 -4.42 118.16 120.08 3knm n LYS 124 Ca -0.17 0.80 -0.29 0.00 -0.87 0.00 0.00 58.31 57.78 3knm n LYS 124 Cb 0.56 -2.42 -0.15 0.00 0.02 0.00 0.00 35.03 33.04 3knm n LYS 124 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 3knm s VAL 125 N -0.98 -0.05 -0.38 3.15 0.11 -1.20 -1.73 120.40 119.32 3knm s VAL 125 Ca 0.56 -0.84 -0.24 0.00 -2.93 0.00 0.00 61.98 58.53 3knm s VAL 125 Cb -0.55 -0.99 0.01 0.00 -1.53 0.00 0.00 36.38 33.32 3knm s VAL 125 CO 0.61 -0.75 0.83 -0.69 -3.33 0.00 0.00 175.10 171.77 3knm s VAL 126 N 2.01 4.67 0.03 2.04 1.01 0.27 -3.41 120.40 127.02 3knm s VAL 126 Ca 0.10 0.89 0.00 0.00 0.00 0.00 0.00 61.98 62.97 3knm s VAL 126 Cb -0.17 -4.27 -0.00 0.00 0.00 0.00 0.00 36.38 31.95 3knm s VAL 126 CO -0.34 -0.52 0.01 0.00 0.00 0.00 0.00 175.10 174.26 3knm n ALA 127 N 6.59 0.05 0.35 5.51 0.00 -1.24 -3.67 120.51 128.09 3knm n ALA 127 Ca 0.04 -0.17 0.05 0.00 0.00 0.00 0.00 53.44 53.36 3knm n ALA 127 Cb 0.48 0.12 -0.06 0.00 0.00 0.00 0.00 19.45 19.99 3knm n ALA 127 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3knm n HIS 128 N -0.07 0.00 0.00 0.00 8.25 0.70 -4.43 115.22 119.67 3knm n HIS 128 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 3knm n HIS 128 Cb 0.05 -0.06 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3knm n HIS 128 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3knm n ALA 129 N -1.39 0.00 -2.44 -1.41 0.00 -1.20 -4.61 120.51 109.46 3knm n ALA 129 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 3knm n ALA 129 Cb 0.18 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.52 3knm n ALA 129 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 3knm s PHE 130 N -1.38 2.05 0.48 0.00 0.08 -1.25 -1.41 117.98 116.54 3knm s PHE 130 Ca 0.00 -0.42 -0.06 0.00 0.12 0.00 0.00 56.93 56.57 3knm s PHE 130 Cb 0.00 -0.98 -0.04 0.00 -0.57 0.00 0.00 43.02 41.43 3knm s PHE 130 CO 0.00 0.46 0.80 -1.54 -0.10 0.00 0.00 175.22 174.84 3knm s SER 131 N -2.90 6.29 0.08 1.36 1.04 -0.82 -4.88 113.70 113.88 3knm s SER 131 Ca 0.21 0.97 -0.22 0.00 0.48 0.00 0.00 55.95 57.39 3knm s SER 131 Cb -0.06 -2.27 -0.08 0.00 0.10 0.00 0.00 66.02 63.72 3knm s SER 131 CO 0.09 -0.58 1.37 0.11 0.98 0.00 0.00 173.24 175.22 3knm h LYS 132 N 0.30 -0.30 -0.40 4.02 1.57 -2.00 0.49 116.57 120.25 3knm h LYS 132 Ca -0.47 0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.45 3knm h LYS 132 Cb 1.20 0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.56 3knm h LYS 132 CO 0.62 -0.20 0.60 1.03 -0.57 0.00 0.00 179.45 180.93 3knm h SER 133 N -0.31 0.00 0.24 0.86 0.87 -1.99 -2.37 113.55 110.85 3knm h SER 133 Ca 0.04 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3knm h SER 133 Cb 0.42 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.38 3knm h SER 133 CO -0.37 0.00 -0.11 0.00 -0.53 0.00 0.00 176.83 175.82 3knm h ALA 134 N 1.17 -0.46 -1.00 6.23 0.00 -0.34 -2.98 119.26 121.90 3knm h ALA 134 Ca 0.19 -0.07 0.19 0.00 0.00 0.00 0.00 54.91 55.22 3knm h ALA 134 Cb 1.39 0.12 -0.18 0.00 0.00 0.00 0.00 17.79 19.12 3knm h ALA 134 CO -0.00 -0.44 -0.28 1.28 0.00 0.00 0.00 179.25 179.81 3knm n LEU 135 N -3.93 -0.43 0.25 0.00 7.99 -0.84 -1.81 117.00 118.22 3knm n LEU 135 Ca -0.04 1.72 -0.16 0.00 -0.01 0.00 0.00 56.01 57.52 3knm n LEU 135 Cb 0.13 -0.49 -0.08 0.00 -0.11 0.00 0.00 43.42 42.87 3knm n LEU 135 CO 0.10 -1.62 0.71 -0.33 -1.51 0.00 0.00 177.39 174.73 3knm h GLU 136 N 0.00 -0.60 0.00 3.23 4.39 -1.63 1.74 114.58 121.71 3knm h GLU 136 Ca 0.45 0.04 0.00 0.00 0.34 0.00 0.00 59.36 60.19 3knm h GLU 136 Cb 0.70 0.14 0.00 0.00 -0.10 0.00 0.00 28.75 29.48 3knm h GLU 136 CO -1.02 -0.40 0.00 1.63 -1.16 0.00 0.00 179.01 178.06 3knm n LYS 137 N -5.37 0.09 -0.02 2.33 5.02 -0.98 -1.15 118.16 118.07 3knm n LYS 137 Ca -0.11 0.51 0.07 0.00 -2.02 0.00 0.00 58.31 56.76 3knm n LYS 137 Cb 0.28 -1.75 -0.15 0.00 -0.02 0.00 0.00 35.03 33.40 3knm n LYS 137 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3knm n LEU 138 N -1.93 0.00 0.03 -0.35 7.94 -0.54 -3.49 117.00 118.66 3knm n LEU 138 Ca 0.00 0.00 0.04 0.00 -1.11 0.00 0.00 56.01 54.94 3knm n LEU 138 Cb 0.07 0.07 0.18 0.00 0.53 0.00 0.00 43.42 44.27 3knm n LEU 138 CO 0.09 0.07 0.61 1.17 -1.11 0.00 0.00 177.39 178.22 3knm n LYS 139 N -2.23 0.03 -0.50 1.96 4.81 0.58 -2.52 118.16 120.29 3knm n LYS 139 Ca -0.07 0.48 -0.03 0.00 -0.87 0.00 0.00 58.31 57.81 3knm n LYS 139 Cb 0.58 -1.60 -0.04 0.00 0.02 0.00 0.00 35.03 33.99 3knm n LYS 139 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3knm n ALA 140 N -1.56 3.96 -0.16 3.14 0.00 -1.24 -4.72 120.51 119.92 3knm n ALA 140 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.00 3knm n ALA 140 Cb 0.05 -1.58 0.00 0.00 0.00 0.00 0.00 19.45 17.92 3knm n ALA 140 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3knm n ALA 141 N 1.94 -2.66 0.00 0.00 0.00 -1.05 -4.53 120.51 114.21 3knm n ALA 141 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.54 3knm n ALA 141 Cb 0.48 -0.44 0.00 0.00 0.00 0.00 0.00 19.45 19.49 3knm n ALA 141 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3knm n GLY 142 N 0.06 0.50 0.00 0.00 0.00 -1.23 -3.40 105.19 101.11 3knm n GLY 142 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3knm n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3knm n GLY 143 N 0.00 2.52 2.60 -0.02 0.00 -1.26 -2.35 105.19 106.67 3knm n GLY 143 Ca 0.00 -1.98 -0.10 0.00 0.00 0.00 0.00 46.02 43.94 3knm n GLY 143 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3knm n GLU 144 N 0.50 1.10 -0.37 1.61 2.13 -1.26 -4.64 120.64 119.71 3knm n GLU 144 Ca 0.00 -2.53 -0.04 0.00 0.66 0.00 0.00 57.16 55.24 3knm n GLU 144 Cb 0.00 -0.91 -0.06 0.00 0.27 0.00 0.00 31.44 30.74 3knm n GLU 144 CO 0.00 0.00 0.00 -2.30 -0.41 0.00 0.00 177.13 174.42 3knm n PRO 145 N -0.07 0.73 0.00 5.31 -0.02 -1.22 -4.80 135.00 134.93 3knm n PRO 145 Ca 0.08 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.20 3knm n PRO 145 Cb 0.77 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.58 3knm n PRO 145 CO 0.00 0.00 0.00 1.55 1.98 0.00 0.00 175.50 179.03 3knm n VAL 146 N 2.77 0.00 -0.67 -1.45 3.14 -1.26 -3.64 118.33 117.21 3knm n VAL 146 Ca 0.15 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.53 3knm n VAL 146 Cb 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.12 3knm n VAL 146 CO 0.00 0.00 0.00 -0.11 -6.46 0.00 0.00 176.83 170.26 3knm n LEU 147 N 0.00 0.00 0.00 6.55 7.94 -1.26 -4.77 117.00 125.46 3knm n LEU 147 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 3knm n LEU 147 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 3knm n LEU 147 CO 0.00 0.00 0.00 0.18 -1.11 0.00 0.00 177.39 176.46 3knm n LEU 148 N 0.00 0.00 0.00 -1.96 4.77 -1.26 -4.62 117.00 113.93 3knm n LEU 148 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3knm n LEU 148 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 3knm n LEU 148 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.39 175.44 3knm n GLU 149 N -1.33 0.00 0.00 3.23 -0.58 -1.26 -5.12 120.64 115.58 3knm n GLU 149 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 3knm n GLU 149 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 3knm n GLU 149 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65