#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kb4 h SER 2 N 0.00 0.00 -3.45 7.83 4.64 -2.11 -3.42 113.55 117.04 2kb4 h SER 2 Ca 0.00 0.00 -0.54 0.00 -0.47 0.00 0.00 61.79 60.78 2kb4 h SER 2 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.06 2kb4 h SER 2 CO 0.00 0.62 0.01 1.51 -0.87 0.00 0.00 176.83 178.10 2kb4 s ASP 3 N -6.57 6.93 0.14 4.97 -4.77 -1.26 -5.06 116.67 111.06 2kb4 s ASP 3 Ca 0.01 1.24 -0.25 0.00 -3.30 0.00 0.00 52.55 50.26 2kb4 s ASP 3 Cb 0.10 -2.35 0.07 0.00 -1.09 0.00 0.00 42.92 39.65 2kb4 s ASP 3 CO 0.75 0.06 1.02 0.54 0.70 0.00 0.00 175.17 178.25 2kb4 s ASN 4 N -1.69 -0.12 -0.45 2.11 2.20 -1.26 -5.07 114.94 110.67 2kb4 s ASN 4 Ca 0.40 -0.44 0.08 0.00 -0.94 0.00 0.00 52.86 51.97 2kb4 s ASN 4 Cb -0.16 0.45 0.29 0.00 -2.00 0.00 0.00 41.25 39.83 2kb4 s ASN 4 CO 0.20 -0.85 0.66 -3.20 -2.94 0.00 0.00 177.10 170.96 2kb4 n ASN 5 N -0.66 1.38 -4.25 3.54 2.85 -1.26 -5.01 115.26 111.86 2kb4 n ASN 5 Ca -0.06 -3.00 -0.44 0.00 -0.11 0.00 0.00 54.58 50.97 2kb4 n ASN 5 Cb 0.61 -0.63 0.00 0.00 1.24 0.00 0.00 39.78 41.00 2kb4 n ASN 5 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2kb4 n GLY 6 N 0.85 4.15 3.68 8.20 0.00 -1.26 -5.00 105.19 115.81 2kb4 n GLY 6 Ca 0.25 -2.29 -0.43 0.00 0.00 0.00 0.00 46.02 43.55 2kb4 n GLY 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kb4 s THR 7 N -0.12 4.46 0.50 2.61 -4.23 -1.26 -5.01 115.64 112.59 2kb4 s THR 7 Ca 0.37 1.76 -0.22 0.00 -1.18 0.00 0.00 61.69 62.42 2kb4 s THR 7 Cb -0.01 -4.13 -0.06 0.00 1.34 0.00 0.00 72.50 69.63 2kb4 s THR 7 CO -0.00 -0.04 1.25 -2.16 -0.54 0.00 0.00 174.62 173.13 2kb4 s PRO 8 N 2.47 3.48 -0.03 3.99 0.04 -1.26 -4.92 135.00 138.77 2kb4 s PRO 8 Ca 0.52 1.99 -0.30 0.00 0.04 0.00 0.00 61.00 63.25 2kb4 s PRO 8 Cb -0.21 -2.34 -0.06 0.00 0.04 0.00 0.00 34.50 31.93 2kb4 s PRO 8 CO 0.18 -0.84 1.53 -1.21 0.04 0.00 0.00 177.00 176.70 2kb4 s GLU 9 N -2.79 4.22 0.93 4.56 8.01 -1.26 -4.95 118.70 127.42 2kb4 s GLU 9 Ca 0.67 2.09 -0.14 0.00 0.01 0.00 0.00 54.97 57.60 2kb4 s GLU 9 Cb -0.34 -3.76 -0.00 0.00 -4.31 0.00 0.00 34.13 25.72 2kb4 s GLU 9 CO 0.41 -0.72 0.22 -2.30 0.01 0.00 0.00 175.26 172.87 2kb4 n PRO 10 N 6.24 -0.18 -1.47 0.39 -0.02 -1.26 -4.72 135.00 133.98 2kb4 n PRO 10 Ca 0.15 -0.02 -0.47 0.00 -2.02 0.00 0.00 63.50 61.15 2kb4 n PRO 10 Cb 0.43 -1.71 -0.07 0.00 -0.02 0.00 0.00 33.50 32.12 2kb4 n PRO 10 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2kb4 n GLN 11 N -0.91 0.94 -3.05 -0.52 -0.06 -1.26 -4.93 117.38 107.59 2kb4 n GLN 11 Ca 0.06 0.21 -0.35 0.00 -2.00 0.00 0.00 57.00 54.91 2kb4 n GLN 11 Cb 0.53 -2.51 -0.06 0.00 -4.06 0.00 0.00 30.24 24.14 2kb4 n GLN 11 CO 0.00 0.00 0.00 0.54 -0.20 0.00 0.00 177.06 177.40 2kb4 s VAL 12 N 8.38 4.55 -0.24 1.69 0.11 -1.26 -5.05 120.40 128.57 2kb4 s VAL 12 Ca 1.11 1.26 -0.08 0.00 -2.93 0.00 0.00 61.98 61.34 2kb4 s VAL 12 Cb -0.79 -3.77 -0.03 0.00 -1.53 0.00 0.00 36.38 30.25 2kb4 s VAL 12 CO 0.45 0.03 0.09 -0.70 -3.33 0.00 0.00 175.10 171.64 2kb4 s GLU 13 N -2.41 3.75 -0.09 1.54 -6.30 -1.26 -5.06 118.70 108.87 2kb4 s GLU 13 Ca 0.49 -0.43 -0.01 0.00 -2.50 0.00 0.00 54.97 52.52 2kb4 s GLU 13 Cb -0.14 -3.36 0.03 0.00 0.00 0.00 0.00 34.13 30.65 2kb4 s GLU 13 CO 0.19 -0.12 -0.03 0.99 0.02 0.00 0.00 175.26 176.31 2kb4 s THR 14 N 1.46 0.66 -0.10 -1.70 2.01 -1.26 -5.12 115.64 111.58 2kb4 s THR 14 Ca 0.06 -0.06 0.02 0.00 0.31 0.00 0.00 61.69 62.02 2kb4 s THR 14 Cb -0.15 -0.75 -0.02 0.00 0.01 0.00 0.00 72.50 71.59 2kb4 s THR 14 CO 0.05 0.31 -0.15 0.28 -0.69 0.00 0.00 174.62 174.41 2kb4 s THR 15 N 1.83 2.89 -0.16 -0.82 -1.32 -1.26 -5.09 115.64 111.71 2kb4 s THR 15 Ca 0.04 -0.74 -0.17 0.00 -1.21 0.00 0.00 61.69 59.61 2kb4 s THR 15 Cb -0.12 -2.17 -0.04 0.00 -1.51 0.00 0.00 72.50 68.65 2kb4 s THR 15 CO -0.06 0.55 0.45 -0.44 -2.21 0.00 0.00 174.62 172.90 2kb4 s SER 16 N 0.03 6.58 0.37 8.08 0.01 -1.26 -5.07 113.70 122.44 2kb4 s SER 16 Ca -0.05 0.68 0.08 0.00 1.31 0.00 0.00 55.95 57.97 2kb4 s SER 16 Cb -0.15 -2.26 -0.06 0.00 0.21 0.00 0.00 66.02 63.76 2kb4 s SER 16 CO 0.04 -0.04 0.04 0.68 0.41 0.00 0.00 173.24 174.37 2kb4 s VAL 17 N 0.96 2.36 -0.33 3.43 -7.23 -1.26 -5.08 120.40 113.26 2kb4 s VAL 17 Ca 0.23 -1.94 -0.28 0.00 -1.81 0.00 0.00 61.98 58.18 2kb4 s VAL 17 Cb -0.15 -2.88 0.02 0.00 0.56 0.00 0.00 36.38 33.93 2kb4 s VAL 17 CO 0.09 -0.11 1.03 0.12 -0.31 0.00 0.00 175.10 175.92 2kb4 s PHE 18 N -2.59 3.14 -0.22 2.82 5.36 -1.26 -4.96 117.98 120.27 2kb4 s PHE 18 Ca 0.36 1.10 -0.31 0.00 -0.96 0.00 0.00 56.93 57.12 2kb4 s PHE 18 Cb 0.03 -3.64 -0.08 0.00 -0.34 0.00 0.00 43.02 38.99 2kb4 s PHE 18 CO 0.20 -0.76 2.15 2.89 -1.46 0.00 0.00 175.22 178.24 2kb4 n ARG 19 N 6.80 1.77 -3.08 10.12 1.85 -1.26 -4.87 116.66 127.99 2kb4 n ARG 19 Ca 0.10 0.53 -0.29 0.00 -1.00 0.00 0.00 57.85 57.20 2kb4 n ARG 19 Cb 0.47 -2.90 -0.05 0.00 -1.05 0.00 0.00 32.46 28.93 2kb4 n ARG 19 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kb4 n ALA 20 N 10.17 4.60 0.06 2.89 0.00 -1.26 -4.71 120.51 132.26 2kb4 n ALA 20 Ca 0.32 -4.73 -0.09 0.00 0.00 0.00 0.00 53.44 48.94 2kb4 n ALA 20 Cb 0.36 -0.94 -0.13 0.00 0.00 0.00 0.00 19.45 18.74 2kb4 n ALA 20 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2kb4 h ASP 21 N 3.54 0.07 -6.12 0.00 3.32 -2.04 -3.49 116.42 111.70 2kb4 h ASP 21 Ca 0.18 -0.08 -0.26 0.00 0.02 0.00 0.00 57.03 56.89 2kb4 h ASP 21 Cb 0.55 -0.02 0.01 0.00 0.22 0.00 0.00 39.33 40.08 2kb4 h ASP 21 CO 0.87 1.07 -0.92 0.00 -1.72 0.00 0.00 179.24 178.53 2kb4 n LEU 22 N -3.36 -4.38 -4.86 1.55 -0.00 -1.26 -5.01 117.00 99.68 2kb4 n LEU 22 Ca -0.03 -0.01 -0.23 0.00 -0.00 0.00 0.00 56.01 55.74 2kb4 n LEU 22 Cb 0.96 -2.26 -0.04 0.00 -0.00 0.00 0.00 43.42 42.08 2kb4 n LEU 22 CO 0.48 -0.77 -0.15 -1.48 -0.00 0.00 0.00 177.39 175.47 2kb4 s LEU 23 N -2.80 3.96 -0.21 1.47 0.05 -1.26 -5.10 118.68 114.79 2kb4 s LEU 23 Ca 0.29 -0.12 -0.03 0.00 0.05 0.00 0.00 54.13 54.32 2kb4 s LEU 23 Cb -0.04 -2.51 -0.01 0.00 -2.05 0.00 0.00 46.19 41.57 2kb4 s LEU 23 CO 0.84 -0.02 -0.06 -0.54 -0.55 0.00 0.00 176.35 176.02 2kb4 s LYS 24 N -3.67 3.36 0.32 1.48 1.02 -1.26 -5.11 119.74 115.88 2kb4 s LYS 24 Ca 0.33 -0.64 -0.05 0.00 0.02 0.00 0.00 55.97 55.62 2kb4 s LYS 24 Cb -0.09 -2.94 -0.05 0.00 -0.52 0.00 0.00 37.83 34.23 2kb4 s LYS 24 CO 0.26 -0.15 0.60 -2.00 -0.92 0.00 0.00 175.35 173.14 2kb4 s GLU 25 N 1.33 3.64 0.44 1.68 2.56 -1.26 -5.08 118.70 122.01 2kb4 s GLU 25 Ca 0.04 0.07 -0.03 0.00 0.00 0.00 0.00 54.97 55.05 2kb4 s GLU 25 Cb -0.14 -2.59 -0.04 0.00 2.00 0.00 0.00 34.13 33.36 2kb4 s GLU 25 CO -0.03 0.15 0.71 0.00 -0.56 0.00 0.00 175.26 175.52 2kb4 s MET 26 N -3.71 3.52 0.03 4.30 0.23 -1.26 -5.09 119.30 117.32 2kb4 s MET 26 Ca 0.45 0.02 -0.27 0.00 -1.03 0.00 0.00 55.69 54.86 2kb4 s MET 26 Cb -0.11 -2.47 0.09 0.00 -1.53 0.00 0.00 34.83 30.81 2kb4 s MET 26 CO 0.31 -0.09 0.75 -2.00 -2.03 0.00 0.00 175.02 171.96 2kb4 s GLU 27 N -4.60 1.02 -0.05 3.16 2.56 -1.26 -5.07 118.70 114.46 2kb4 s GLU 27 Ca 0.45 -0.21 -0.23 0.00 0.00 0.00 0.00 54.97 54.98 2kb4 s GLU 27 Cb -0.10 0.47 -0.28 0.00 2.00 0.00 0.00 34.13 36.22 2kb4 s GLU 27 CO 0.42 -0.41 0.94 0.77 -0.56 0.00 0.00 175.26 176.41 2kb4 h SER 28 N 2.25 0.40 -0.81 -1.70 0.02 -2.04 -3.38 113.55 108.29 2kb4 h SER 28 Ca -0.27 -0.90 -0.71 0.00 -0.84 0.00 0.00 61.79 59.07 2kb4 h SER 28 Cb 1.24 -0.13 -0.09 0.00 0.14 0.00 0.00 62.40 63.56 2kb4 h SER 28 CO 0.35 1.27 2.38 -1.20 -1.14 0.00 0.00 176.83 178.49 2kb4 n SER 29 N -4.24 4.64 0.00 3.07 7.64 -1.26 -4.75 113.62 118.72 2kb4 n SER 29 Ca -0.12 -2.92 0.00 0.00 1.01 0.00 0.00 58.87 56.83 2kb4 n SER 29 Cb 0.72 -1.67 0.00 0.00 -1.01 0.00 0.00 64.21 62.25 2kb4 n SER 29 CO 0.00 0.00 0.00 1.07 -3.01 0.00 0.00 175.04 173.10 2kb4 n THR 30 N 5.38 0.00 0.00 0.44 5.66 -1.26 -5.15 114.28 119.35 2kb4 n THR 30 Ca 0.47 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.47 2kb4 n THR 30 Cb 0.42 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.20 2kb4 n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kb4 n GLY 31 N -0.05 0.72 3.79 1.09 0.00 -1.26 -4.97 105.19 104.50 2kb4 n GLY 31 Ca 0.00 -0.90 -0.39 0.00 0.00 0.00 0.00 46.02 44.73 2kb4 n GLY 31 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kb4 s THR 32 N 0.00 4.71 0.14 2.61 -1.32 -1.26 -5.06 115.64 115.46 2kb4 s THR 32 Ca 0.00 1.33 -0.14 0.00 -1.21 0.00 0.00 61.69 61.67 2kb4 s THR 32 Cb 0.00 -3.96 -0.07 0.00 -1.51 0.00 0.00 72.50 66.96 2kb4 s THR 32 CO 0.00 0.51 0.53 0.00 -2.21 0.00 0.00 174.62 173.45 2kb4 s ALA 33 N -0.85 3.59 -0.46 11.08 0.00 -1.26 -4.99 121.76 128.88 2kb4 s ALA 33 Ca 0.31 -0.16 -0.27 0.00 0.00 0.00 0.00 51.96 51.84 2kb4 s ALA 33 Cb -0.20 -2.49 -0.05 0.00 0.00 0.00 0.00 23.12 20.38 2kb4 s ALA 33 CO 0.20 0.47 2.14 -2.14 0.00 0.00 0.00 175.76 176.43 2kb4 s PRO 34 N -1.99 2.58 -0.64 0.00 0.02 -1.26 -4.90 135.00 128.81 2kb4 s PRO 34 Ca 0.38 1.29 -0.20 0.00 0.02 0.00 0.00 61.00 62.49 2kb4 s PRO 34 Cb -0.15 -4.44 0.10 0.00 0.02 0.00 0.00 34.50 30.03 2kb4 s PRO 34 CO 0.19 -2.74 0.80 0.00 -0.33 0.00 0.00 177.00 174.92 2kb4 s ALA 35 N 9.98 3.35 0.00 -1.55 0.00 -1.26 -4.20 121.76 128.09 2kb4 s ALA 35 Ca 0.87 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 50.63 2kb4 s ALA 35 Cb -0.19 -3.65 0.00 0.00 0.00 0.00 0.00 23.12 19.28 2kb4 s ALA 35 CO 0.27 -2.51 0.00 0.43 0.00 0.00 0.00 175.76 173.96 2kb4 n SER 36 N 6.63 0.00 -4.63 0.00 7.64 -1.26 -4.95 113.62 117.06 2kb4 n SER 36 Ca -0.05 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.40 2kb4 n SER 36 Cb 0.44 -0.28 -0.02 0.00 -1.01 0.00 0.00 64.21 63.33 2kb4 n SER 36 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb4 s THR 37 N -2.00 3.78 0.00 0.44 2.01 -1.26 -0.98 115.64 117.63 2kb4 s THR 37 Ca 0.00 0.87 0.00 0.00 0.31 0.00 0.00 61.69 62.87 2kb4 s THR 37 Cb 0.00 -3.81 0.00 0.00 0.01 0.00 0.00 72.50 68.70 2kb4 s THR 37 CO 0.00 -0.35 0.00 0.61 -0.69 0.00 0.00 174.62 174.19 2kb4 n GLY 38 N 4.65 2.39 0.16 4.40 0.00 -1.26 -4.84 105.19 110.69 2kb4 n GLY 38 Ca 0.18 -0.27 0.03 0.00 0.00 0.00 0.00 46.02 45.97 2kb4 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 h ALA 39 N 0.00 0.81 -0.45 4.61 0.00 -1.44 -2.71 119.26 120.08 2kb4 h ALA 39 Ca 0.00 -0.43 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2kb4 h ALA 39 Cb 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 2kb4 h ALA 39 CO 0.00 0.59 -0.07 1.05 0.00 0.00 0.00 179.25 180.82 2kb4 h GLU 40 N 0.00 0.79 0.00 0.00 9.09 -1.73 -1.88 114.58 120.84 2kb4 h GLU 40 Ca -0.00 -0.25 -0.09 0.00 0.05 0.00 0.00 59.36 59.07 2kb4 h GLU 40 Cb 1.16 -0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 28.17 2kb4 h GLU 40 CO 0.06 0.84 -0.44 -0.97 0.05 0.00 0.00 179.01 178.56 2kb4 h ASN 41 N 0.72 0.00 -4.73 3.06 -1.24 -1.82 -3.48 115.58 108.09 2kb4 h ASN 41 Ca 0.13 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.14 2kb4 h ASN 41 Cb 0.54 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.59 2kb4 h ASN 41 CO 0.03 0.44 -0.74 -0.11 -1.29 0.00 0.00 177.43 175.76 2kb4 n LEU 42 N -3.31 -6.84 -4.91 0.34 -0.00 -0.71 -5.00 117.00 96.56 2kb4 n LEU 42 Ca 0.01 1.05 -0.27 0.00 -0.00 0.00 0.00 56.01 56.81 2kb4 n LEU 42 Cb 0.64 -2.90 -0.00 0.00 -0.00 0.00 0.00 43.42 41.16 2kb4 n LEU 42 CO 0.39 -2.49 0.39 -2.16 -0.00 0.00 0.00 177.39 173.52 2kb4 s PRO 43 N -1.45 3.51 -0.88 1.96 0.04 -1.16 -4.98 135.00 132.03 2kb4 s PRO 43 Ca 0.03 0.09 -0.22 0.00 0.04 0.00 0.00 61.00 60.93 2kb4 s PRO 43 Cb -0.01 -2.43 0.07 0.00 0.04 0.00 0.00 34.50 32.18 2kb4 s PRO 43 CO 0.63 -0.16 1.24 0.00 0.04 0.00 0.00 177.00 178.76 2kb4 s ALA 44 N -2.67 2.97 -0.41 8.56 0.00 0.14 -4.81 121.76 125.54 2kb4 s ALA 44 Ca 0.46 -2.18 0.05 0.00 0.00 0.00 0.00 51.96 50.30 2kb4 s ALA 44 Cb -0.10 -4.23 0.19 0.00 0.00 0.00 0.00 23.12 18.98 2kb4 s ALA 44 CO 0.43 -3.24 0.40 0.41 0.00 0.00 0.00 175.76 173.76 2kb4 n GLY 45 N 5.96 2.36 3.95 0.00 0.00 -1.26 -1.94 105.19 114.27 2kb4 n GLY 45 Ca 0.19 -1.40 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 2kb4 n GLY 45 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kb4 s SER 46 N -0.32 5.51 0.30 1.61 0.01 -1.26 -4.95 113.70 114.59 2kb4 s SER 46 Ca 0.34 0.31 -0.06 0.00 1.31 0.00 0.00 55.95 57.85 2kb4 s SER 46 Cb 0.08 -1.34 -0.05 0.00 0.21 0.00 0.00 66.02 64.92 2kb4 s SER 46 CO -0.17 -1.00 0.57 0.00 0.41 0.00 0.00 173.24 173.05 2kb4 s ALA 47 N -2.79 3.59 0.06 1.44 0.00 -1.26 -4.46 121.76 118.35 2kb4 s ALA 47 Ca 0.53 -0.51 0.05 0.00 0.00 0.00 0.00 51.96 52.03 2kb4 s ALA 47 Cb -0.10 -2.35 -0.03 0.00 0.00 0.00 0.00 23.12 20.64 2kb4 s ALA 47 CO 0.40 0.24 -0.13 -0.48 0.00 0.00 0.00 175.76 175.79 2kb4 s LEU 48 N -3.53 2.24 -0.07 0.00 2.34 0.80 -0.30 118.68 120.16 2kb4 s LEU 48 Ca 0.45 -0.55 0.02 0.00 0.06 0.00 0.00 54.13 54.11 2kb4 s LEU 48 Cb -0.11 -0.49 -0.03 0.00 -0.56 0.00 0.00 46.19 45.01 2kb4 s LEU 48 CO 0.29 -0.06 -0.11 -1.48 -1.06 0.00 0.00 176.35 173.94 2kb4 s LEU 49 N -1.50 2.90 -0.21 1.48 0.05 -0.86 -1.28 118.68 119.27 2kb4 s LEU 49 Ca -0.02 -0.15 -0.02 0.00 0.05 0.00 0.00 54.13 53.99 2kb4 s LEU 49 Cb -0.09 -1.62 0.00 0.00 -2.05 0.00 0.00 46.19 42.43 2kb4 s LEU 49 CO 0.02 0.33 -0.09 -0.69 -0.55 0.00 0.00 176.35 175.36 2kb4 s VAL 50 N -0.61 2.95 -0.34 1.48 1.01 0.48 -2.13 120.40 123.24 2kb4 s VAL 50 Ca 0.09 -0.64 -0.18 0.00 0.00 0.00 0.00 61.98 61.25 2kb4 s VAL 50 Cb -0.11 -2.32 -0.01 0.00 0.00 0.00 0.00 36.38 33.94 2kb4 s VAL 50 CO 0.01 0.46 0.53 -0.69 0.00 0.00 0.00 175.10 175.41 2kb4 s VAL 51 N 1.42 5.01 -0.05 2.92 1.01 -0.12 -0.38 120.40 130.21 2kb4 s VAL 51 Ca 0.06 0.44 -0.11 0.00 0.00 0.00 0.00 61.98 62.36 2kb4 s VAL 51 Cb -0.14 -3.96 -0.31 0.00 0.00 0.00 0.00 36.38 31.98 2kb4 s VAL 51 CO -0.06 -0.18 0.67 0.50 0.00 0.00 0.00 175.10 176.02 2kb4 h LYS 52 N 8.40 0.40 -3.71 2.72 3.64 -1.70 -3.29 116.57 123.03 2kb4 h LYS 52 Ca -0.28 -0.68 -0.13 0.00 -1.27 0.00 0.00 60.65 58.30 2kb4 h LYS 52 Cb 1.13 0.25 -0.18 0.00 -0.41 0.00 0.00 32.23 33.01 2kb4 h LYS 52 CO 0.77 1.32 -0.50 1.03 -2.27 0.00 0.00 179.45 179.80 2kb4 s ARG 53 N -2.57 0.58 0.00 1.90 1.81 -1.14 -4.95 118.95 114.58 2kb4 s ARG 53 Ca -0.16 -0.66 0.00 0.00 -1.72 0.00 0.00 55.73 53.19 2kb4 s ARG 53 Cb 0.05 0.23 0.00 0.00 -0.45 0.00 0.00 34.95 34.78 2kb4 s ARG 53 CO 0.85 -0.15 0.00 0.41 -0.68 0.00 0.00 175.30 175.74 2kb4 n GLY 54 N 0.92 4.41 0.14 -3.53 0.00 -1.26 -3.64 105.19 102.23 2kb4 n GLY 54 Ca -0.20 -1.19 0.12 0.00 0.00 0.00 0.00 46.02 44.76 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kb4 n PRO 55 N -1.20 0.20 -0.01 1.61 -0.02 -1.26 -3.22 135.00 131.10 2kb4 n PRO 55 Ca 0.00 0.45 -0.11 0.00 -2.02 0.00 0.00 63.50 61.82 2kb4 n PRO 55 Cb 0.00 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.52 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 1.98 0.00 0.00 175.50 174.53 2kb4 h ASN 56 N 0.00 0.14 -5.34 2.55 -1.07 -1.77 -3.35 115.58 106.74 2kb4 h ASN 56 Ca 0.00 -0.09 0.18 0.00 0.07 0.00 0.00 56.30 56.46 2kb4 h ASN 56 Cb 0.34 -0.04 -0.07 0.00 -2.07 0.00 0.00 38.32 36.48 2kb4 h ASN 56 CO 0.00 0.19 0.50 0.00 0.07 0.00 0.00 177.43 178.19 2kb4 s ALA 57 N -5.85 -1.64 -0.01 4.14 0.00 -1.20 -4.55 121.76 112.66 2kb4 s ALA 57 Ca -0.13 0.07 0.07 0.00 0.00 0.00 0.00 51.96 51.96 2kb4 s ALA 57 Cb 0.07 0.65 0.12 0.00 0.00 0.00 0.00 23.12 23.95 2kb4 s ALA 57 CO 0.68 -1.05 1.05 0.41 0.00 0.00 0.00 175.76 176.86 2kb4 n GLY 58 N -0.50 0.66 0.00 0.00 0.00 -1.26 -4.17 105.19 99.93 2kb4 n GLY 58 Ca -0.06 -0.22 0.00 0.00 0.00 0.00 0.00 46.02 45.75 2kb4 n GLY 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kb4 n ALA 59 N 0.08 0.00 -2.99 4.61 0.00 -1.24 -4.85 120.51 116.13 2kb4 n ALA 59 Ca -0.19 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.07 2kb4 n ALA 59 Cb 0.81 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 20.11 2kb4 n ALA 59 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 2kb4 s ARG 60 N -1.55 0.58 0.04 0.00 1.70 -1.26 -0.95 118.95 117.51 2kb4 s ARG 60 Ca 0.00 -0.19 0.02 0.00 -0.47 0.00 0.00 55.73 55.10 2kb4 s ARG 60 Cb 0.00 -0.58 -0.02 0.00 -0.57 0.00 0.00 34.95 33.78 2kb4 s ARG 60 CO 0.00 0.08 -0.08 -0.59 -1.08 0.00 0.00 175.30 173.62 2kb4 s PHE 61 N 0.14 0.71 -0.20 5.89 -0.12 -0.90 -4.97 117.98 118.54 2kb4 s PHE 61 Ca -0.01 -0.43 -0.23 0.00 -0.05 0.00 0.00 56.93 56.20 2kb4 s PHE 61 Cb -0.06 -0.43 -0.02 0.00 -0.63 0.00 0.00 43.02 41.89 2kb4 s PHE 61 CO -0.00 -0.06 0.74 -1.17 -0.05 0.00 0.00 175.22 174.68 2kb4 s LEU 62 N -1.37 4.14 -0.36 -1.99 2.96 -1.26 -2.03 118.68 118.77 2kb4 s LEU 62 Ca -0.07 0.99 -0.26 0.00 -0.22 0.00 0.00 54.13 54.57 2kb4 s LEU 62 Cb -0.09 -3.07 0.01 0.00 0.50 0.00 0.00 46.19 43.55 2kb4 s LEU 62 CO 0.01 -0.36 0.93 -0.76 -1.32 0.00 0.00 176.35 174.84 2kb4 s LEU 63 N 2.17 4.00 0.00 -0.68 1.02 0.59 -4.74 118.68 121.04 2kb4 s LEU 63 Ca 0.33 0.61 0.00 0.00 0.02 0.00 0.00 54.13 55.09 2kb4 s LEU 63 Cb -0.16 -3.27 0.00 0.00 0.02 0.00 0.00 46.19 42.78 2kb4 s LEU 63 CO 0.11 -0.85 0.61 0.47 0.02 0.00 0.00 176.35 176.71 2kb4 n ASP 64 N 6.75 0.89 -4.66 2.29 8.00 -1.26 -4.29 116.55 124.27 2kb4 n ASP 64 Ca 0.07 -1.37 -0.40 0.00 0.71 0.00 0.00 54.79 53.80 2kb4 n ASP 64 Cb 0.48 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.52 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2kb4 s GLN 65 N -0.37 4.22 0.24 -1.24 0.74 -1.26 -4.96 119.66 117.03 2kb4 s GLN 65 Ca 0.00 0.64 -0.05 0.00 0.05 0.00 0.00 55.36 56.00 2kb4 s GLN 65 Cb 0.00 -3.58 0.42 0.00 1.10 0.00 0.00 33.01 30.95 2kb4 s GLN 65 CO 0.00 -0.24 1.72 -1.00 -0.55 0.00 0.00 175.29 175.22 2kb4 h PRO 66 N 7.46 0.39 -3.13 1.67 0.13 -1.89 -3.33 132.00 133.30 2kb4 h PRO 66 Ca -0.31 -0.02 -0.56 0.00 -0.87 0.00 0.00 66.00 64.24 2kb4 h PRO 66 Cb 1.14 -0.09 -0.40 0.00 0.13 0.00 0.00 31.00 31.79 2kb4 h PRO 66 CO 0.78 0.26 -0.77 0.99 -0.23 0.00 0.00 178.00 179.02 2kb4 s THR 67 N -6.04 0.40 -0.29 1.56 2.01 -1.26 -0.83 115.64 111.19 2kb4 s THR 67 Ca -0.13 -1.12 -0.29 0.00 0.31 0.00 0.00 61.69 60.46 2kb4 s THR 67 Cb 0.20 -1.32 0.01 0.00 0.01 0.00 0.00 72.50 71.40 2kb4 s THR 67 CO 0.76 -0.72 1.19 -0.89 -0.69 0.00 0.00 174.62 174.27 2kb4 s THR 68 N 1.80 4.34 -0.83 -0.82 2.01 0.12 -4.91 115.64 117.36 2kb4 s THR 68 Ca 0.10 1.54 -0.18 0.00 0.31 0.00 0.00 61.69 63.46 2kb4 s THR 68 Cb -0.17 -4.25 0.14 0.00 0.01 0.00 0.00 72.50 68.23 2kb4 s THR 68 CO -0.29 -0.42 0.96 -0.89 -0.69 0.00 0.00 174.62 173.28 2kb4 s THR 69 N 3.91 4.92 -0.16 -0.82 2.01 -1.26 -2.01 115.64 122.22 2kb4 s THR 69 Ca 0.51 -1.60 -0.12 0.00 0.31 0.00 0.00 61.69 60.80 2kb4 s THR 69 Cb -0.15 -4.65 -0.05 0.00 0.01 0.00 0.00 72.50 67.66 2kb4 s THR 69 CO 0.18 -1.32 0.22 0.00 -0.69 0.00 0.00 174.62 173.00 2kb4 s ALA 70 N 2.19 3.67 0.00 7.40 0.00 -0.84 -3.22 121.76 130.97 2kb4 s ALA 70 Ca 0.25 -0.55 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2kb4 s ALA 70 Cb -0.10 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.76 2kb4 s ALA 70 CO -0.05 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.32 2kb4 n GLY 71 N 3.17 -0.29 0.00 0.00 0.00 -1.23 -1.23 105.19 105.61 2kb4 n GLY 71 Ca -0.15 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.33 2kb4 n GLY 71 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2kb4 n ARG 72 N 0.00 0.00 -0.97 1.61 3.00 -1.25 -1.35 116.66 117.70 2kb4 n ARG 72 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 2kb4 n ARG 72 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 32.46 32.40 2kb4 n ARG 72 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 2kb4 n HIS 73 N -0.94 -2.59 0.27 -0.14 8.25 -1.26 -3.42 115.22 115.40 2kb4 n HIS 73 Ca 0.00 1.42 0.16 0.00 -0.26 0.00 0.00 57.72 59.04 2kb4 n HIS 73 Cb 0.00 -2.35 0.74 0.00 1.12 0.00 0.00 29.99 29.50 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.00 0.64 0.00 0.00 176.34 175.98 2kb4 h PRO 74 N -0.95 0.00 -2.91 -0.41 0.13 -2.01 -3.35 132.00 122.50 2kb4 h PRO 74 Ca -0.13 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.39 2kb4 h PRO 74 Cb 0.92 0.00 -0.42 0.00 0.13 0.00 0.00 31.00 31.64 2kb4 h PRO 74 CO 0.05 0.07 -0.59 0.39 -0.23 0.00 0.00 178.00 177.69 2kb4 n GLU 75 N -3.29 1.89 -2.59 0.86 1.02 -1.26 -5.05 120.64 112.22 2kb4 n GLU 75 Ca -0.01 -4.47 -0.43 0.00 -0.02 0.00 0.00 57.16 52.23 2kb4 n GLU 75 Cb 0.27 -2.26 -0.02 0.00 -0.02 0.00 0.00 31.44 29.41 2kb4 n GLU 75 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 2kb4 s SER 76 N -1.59 6.62 0.09 1.62 0.01 -1.22 -4.86 113.70 114.37 2kb4 s SER 76 Ca 0.28 0.46 -0.16 0.00 1.31 0.00 0.00 55.95 57.84 2kb4 s SER 76 Cb -0.01 -2.55 -0.09 0.00 0.21 0.00 0.00 66.02 63.58 2kb4 s SER 76 CO -0.15 -1.27 1.41 -0.78 0.41 0.00 0.00 173.24 172.87 2kb4 h ASP 77 N 9.28 0.70 -4.63 2.44 3.58 -1.84 -3.44 116.42 122.52 2kb4 h ASP 77 Ca -0.23 -0.47 -0.18 0.00 0.42 0.00 0.00 57.03 56.57 2kb4 h ASP 77 Cb 1.06 -0.20 -0.23 0.00 1.72 0.00 0.00 39.33 41.69 2kb4 h ASP 77 CO 1.13 1.03 -0.67 0.27 -2.88 0.00 0.00 179.24 178.12 2kb4 s ILE 78 N -4.36 0.08 -0.14 2.25 -0.00 -1.26 -5.07 121.20 112.71 2kb4 s ILE 78 Ca -0.13 -0.62 0.01 0.00 -0.00 0.00 0.00 60.65 59.91 2kb4 s ILE 78 Cb 0.08 -0.22 -0.00 0.00 -0.00 0.00 0.00 42.46 42.31 2kb4 s ILE 78 CO 0.82 -0.34 -0.17 0.72 -0.00 0.00 0.00 174.94 175.97 2kb4 s PHE 79 N -1.03 2.73 -0.64 1.37 -0.71 -1.26 -3.52 117.98 114.93 2kb4 s PHE 79 Ca -0.11 -0.97 -0.25 0.00 -1.04 0.00 0.00 56.93 54.56 2kb4 s PHE 79 Cb -0.07 -1.83 0.05 0.00 -1.21 0.00 0.00 43.02 39.95 2kb4 s PHE 79 CO -0.00 -0.41 1.06 -0.51 -1.34 0.00 0.00 175.22 174.01 2kb4 s LEU 80 N 0.60 3.91 -1.53 -1.99 1.02 -0.46 -4.41 118.68 115.81 2kb4 s LEU 80 Ca -0.10 -0.56 -0.12 0.00 0.02 0.00 0.00 54.13 53.38 2kb4 s LEU 80 Cb -0.16 -2.65 -0.02 0.00 0.02 0.00 0.00 46.19 43.38 2kb4 s LEU 80 CO 0.03 -1.48 2.59 -0.67 0.02 0.00 0.00 176.35 176.84 2kb4 n ASP 81 N 8.11 6.45 -4.11 2.29 2.03 -1.26 -4.73 116.55 125.34 2kb4 n ASP 81 Ca 0.01 -2.73 -0.18 0.00 0.52 0.00 0.00 54.79 52.41 2kb4 n ASP 81 Cb 0.47 -1.60 -0.13 0.00 -0.72 0.00 0.00 41.12 39.15 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 2kb4 s ASP 82 N 2.53 1.39 0.00 1.67 2.15 -1.26 -4.42 116.67 118.73 2kb4 s ASP 82 Ca 0.58 -0.45 0.25 0.00 0.43 0.00 0.00 52.55 53.37 2kb4 s ASP 82 Cb 0.16 -0.07 1.40 0.00 -0.30 0.00 0.00 42.92 44.11 2kb4 s ASP 82 CO -0.07 -0.02 1.91 1.33 -0.17 0.00 0.00 175.17 178.15 2kb4 n VAL 83 N 1.88 0.02 -0.41 1.11 0.24 -1.26 -3.01 118.33 116.89 2kb4 n VAL 83 Ca -0.19 -0.06 0.07 0.00 -2.04 0.00 0.00 64.34 62.13 2kb4 n VAL 83 Cb 0.55 -0.23 0.21 0.00 -1.47 0.00 0.00 33.84 32.90 2kb4 n VAL 83 CO 0.00 0.00 0.00 0.41 -2.14 0.00 0.00 176.83 175.10 2kb4 n THR 84 N -0.67 1.36 -2.88 3.34 -1.04 -1.26 -4.98 114.28 108.14 2kb4 n THR 84 Ca 0.19 -1.20 -0.41 0.00 -2.04 0.00 0.00 64.05 60.59 2kb4 n THR 84 Cb 0.14 0.31 -0.04 0.00 -1.82 0.00 0.00 70.33 68.91 2kb4 n THR 84 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2kb4 s VAL 85 N -1.47 4.82 0.34 12.58 1.01 -1.16 -2.99 120.40 133.53 2kb4 s VAL 85 Ca 0.32 1.78 0.07 0.00 0.00 0.00 0.00 61.98 64.15 2kb4 s VAL 85 Cb 0.20 -4.19 -0.02 0.00 0.00 0.00 0.00 36.38 32.37 2kb4 s VAL 85 CO 0.17 0.27 0.37 -0.44 0.00 0.00 0.00 175.10 175.47 2kb4 s SER 86 N 0.49 5.55 0.12 3.32 0.01 -1.26 -4.86 113.70 117.08 2kb4 s SER 86 Ca 0.44 -0.39 -0.30 0.00 1.31 0.00 0.00 55.95 57.01 2kb4 s SER 86 Cb -0.20 -1.05 -0.07 0.00 0.21 0.00 0.00 66.02 64.91 2kb4 s SER 86 CO 0.24 -0.40 1.17 0.00 0.41 0.00 0.00 173.24 174.66 2kb4 s ARG 87 N -4.08 4.49 -0.35 12.44 1.04 -1.26 -3.70 118.95 127.52 2kb4 s ARG 87 Ca 0.43 1.78 -0.09 0.00 -1.04 0.00 0.00 55.73 56.81 2kb4 s ARG 87 Cb -0.07 -3.30 0.01 0.00 -2.04 0.00 0.00 34.95 29.55 2kb4 s ARG 87 CO 0.28 -0.13 0.35 0.54 -0.04 0.00 0.00 175.30 176.30 2kb4 n ARG 88 N 3.19 -2.56 0.00 3.89 5.12 -1.26 -4.90 116.66 120.14 2kb4 n ARG 88 Ca 0.06 2.21 0.00 0.00 -1.93 0.00 0.00 57.85 58.20 2kb4 n ARG 88 Cb 0.46 -5.23 0.00 0.00 -1.16 0.00 0.00 32.46 26.53 2kb4 n ARG 88 CO 0.00 0.00 0.00 1.58 -1.93 0.00 0.00 177.63 177.28 2kb4 n HIS 89 N 0.02 0.00 -4.02 -1.55 -0.00 -1.18 -3.49 115.22 105.00 2kb4 n HIS 89 Ca 0.07 0.00 -0.31 0.00 0.46 0.00 0.00 57.72 57.94 2kb4 n HIS 89 Cb 0.27 0.00 -0.15 0.00 -0.12 0.00 0.00 29.99 29.99 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2kb4 s ALA 90 N -3.30 2.42 -0.23 1.57 0.00 -0.37 -0.51 121.76 121.35 2kb4 s ALA 90 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 51.96 50.12 2kb4 s ALA 90 Cb 0.00 -1.58 -0.05 0.00 0.00 0.00 0.00 23.12 21.49 2kb4 s ALA 90 CO 0.00 -1.25 0.17 -1.21 0.00 0.00 0.00 175.76 173.46 2kb4 s GLU 91 N 1.17 4.10 -0.33 0.00 2.02 0.50 -1.98 118.70 124.18 2kb4 s GLU 91 Ca -0.06 -0.24 -0.08 0.00 0.02 0.00 0.00 54.97 54.61 2kb4 s GLU 91 Cb -0.20 -3.51 0.02 0.00 0.10 0.00 0.00 34.13 30.54 2kb4 s GLU 91 CO -0.06 0.11 0.13 -0.06 0.02 0.00 0.00 175.26 175.40 2kb4 s PHE 92 N 0.92 3.20 -0.11 1.61 0.08 -0.85 -0.75 117.98 122.08 2kb4 s PHE 92 Ca 0.08 -1.03 0.00 0.00 0.12 0.00 0.00 56.93 56.11 2kb4 s PHE 92 Cb -0.13 -2.32 -0.02 0.00 -0.57 0.00 0.00 43.02 39.98 2kb4 s PHE 92 CO 0.03 -0.61 -0.11 1.03 -0.10 0.00 0.00 175.22 175.46 2kb4 s ARG 93 N 1.50 3.20 -0.05 0.44 0.52 0.41 0.14 118.95 125.11 2kb4 s ARG 93 Ca 0.02 -0.64 0.05 0.00 -0.52 0.00 0.00 55.73 54.64 2kb4 s ARG 93 Cb -0.18 -2.63 -0.02 0.00 0.52 0.00 0.00 34.95 32.64 2kb4 s ARG 93 CO 0.04 0.35 -0.19 0.96 0.02 0.00 0.00 175.30 176.48 2kb4 s ILE 94 N 0.01 2.61 0.07 1.52 -4.36 -0.01 -0.12 121.20 120.92 2kb4 s ILE 94 Ca -0.03 -0.88 0.09 0.00 -0.26 0.00 0.00 60.65 59.57 2kb4 s ILE 94 Cb -0.14 -1.99 -0.03 0.00 1.25 0.00 0.00 42.46 41.55 2kb4 s ILE 94 CO 0.04 0.58 -0.25 0.21 0.24 0.00 0.00 174.94 175.75 2kb4 s ASN 95 N -0.49 3.02 0.48 4.36 3.84 -0.47 -4.73 114.94 120.96 2kb4 s ASN 95 Ca 0.06 -0.63 0.32 0.00 0.21 0.00 0.00 52.86 52.83 2kb4 s ASN 95 Cb -0.12 -0.24 1.76 0.00 -0.55 0.00 0.00 41.25 42.10 2kb4 s ASN 95 CO 0.01 0.20 1.99 1.05 -2.79 0.00 0.00 177.10 177.57 2kb4 h GLU 96 N 4.52 0.00 0.08 0.43 4.11 -2.00 -2.50 114.58 119.21 2kb4 h GLU 96 Ca -0.47 0.00 -0.35 0.00 0.07 0.00 0.00 59.36 58.62 2kb4 h GLU 96 Cb 1.16 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2kb4 h GLU 96 CO 0.42 0.00 -1.96 0.41 0.07 0.00 0.00 179.01 177.95 2kb4 n GLY 97 N -1.19 -0.69 3.56 1.06 0.00 -1.26 -5.04 105.19 101.63 2kb4 n GLY 97 Ca -0.02 -0.21 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 2kb4 n GLY 97 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2kb4 s GLU 98 N -2.56 0.74 -0.08 1.61 2.56 -0.94 -5.17 118.70 114.86 2kb4 s GLU 98 Ca -0.18 -0.30 -0.11 0.00 0.00 0.00 0.00 54.97 54.39 2kb4 s GLU 98 Cb 0.07 0.32 -0.05 0.00 2.00 0.00 0.00 34.13 36.47 2kb4 s GLU 98 CO 0.78 -0.33 0.26 -0.06 -0.56 0.00 0.00 175.26 175.35 2kb4 s PHE 99 N -2.96 3.64 -0.04 5.30 0.08 -1.26 -1.37 117.98 121.36 2kb4 s PHE 99 Ca 0.07 0.72 0.04 0.00 0.12 0.00 0.00 56.93 57.89 2kb4 s PHE 99 Cb -0.01 -2.11 -0.00 0.00 -0.57 0.00 0.00 43.02 40.33 2kb4 s PHE 99 CO -0.07 0.66 -0.18 -2.00 -0.10 0.00 0.00 175.22 173.54 2kb4 s GLU 100 N -0.93 1.86 -0.16 0.44 2.12 0.84 -0.50 118.70 122.37 2kb4 s GLU 100 Ca 0.18 -0.64 -0.01 0.00 0.36 0.00 0.00 54.97 54.87 2kb4 s GLU 100 Cb -0.14 -1.61 -0.01 0.00 0.26 0.00 0.00 34.13 32.63 2kb4 s GLU 100 CO 0.08 0.26 -0.13 0.54 -0.54 0.00 0.00 175.26 175.47 2kb4 s VAL 101 N 0.01 2.88 -0.14 3.70 0.11 0.10 -0.45 120.40 126.62 2kb4 s VAL 101 Ca -0.04 -0.69 0.02 0.00 -2.93 0.00 0.00 61.98 58.34 2kb4 s VAL 101 Cb -0.12 -2.24 0.01 0.00 -1.53 0.00 0.00 36.38 32.50 2kb4 s VAL 101 CO 0.02 0.50 -0.21 -0.69 -3.33 0.00 0.00 175.10 171.40 2kb4 s VAL 102 N 0.83 2.17 -0.24 2.04 1.01 0.07 -0.94 120.40 125.35 2kb4 s VAL 102 Ca -0.04 -0.94 -0.08 0.00 0.00 0.00 0.00 61.98 60.92 2kb4 s VAL 102 Cb -0.15 -1.87 -0.03 0.00 0.00 0.00 0.00 36.38 34.32 2kb4 s VAL 102 CO 0.00 0.54 0.08 -0.62 0.00 0.00 0.00 175.10 175.11 2kb4 s ASP 103 N 0.78 5.33 -0.01 3.32 2.15 0.87 -0.37 116.67 128.74 2kb4 s ASP 103 Ca -0.08 -0.13 0.01 0.00 0.43 0.00 0.00 52.55 52.79 2kb4 s ASP 103 Cb -0.16 -1.95 0.01 0.00 -0.30 0.00 0.00 42.92 40.53 2kb4 s ASP 103 CO -0.01 0.01 0.75 1.33 -0.17 0.00 0.00 175.17 177.08 2kb4 n VAL 104 N 4.64 0.47 -1.94 1.11 0.24 0.34 -4.61 118.33 118.58 2kb4 n VAL 104 Ca -0.16 -0.48 -0.31 0.00 -2.04 0.00 0.00 64.34 61.34 2kb4 n VAL 104 Cb 0.52 0.72 0.03 0.00 -1.47 0.00 0.00 33.84 33.64 2kb4 n VAL 104 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kb4 n GLY 105 N -0.26 5.96 0.00 7.63 0.00 -0.07 -4.62 105.19 113.84 2kb4 n GLY 105 Ca 0.01 -2.56 0.06 0.00 0.00 0.00 0.00 46.02 43.53 2kb4 n GLY 105 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kb4 n SER 106 N -0.66 0.00 -0.16 1.61 7.64 -1.26 -1.23 113.62 119.56 2kb4 n SER 106 Ca 0.50 -0.09 -0.11 0.00 1.01 0.00 0.00 58.87 60.17 2kb4 n SER 106 Cb 0.64 -0.16 -0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2kb4 n SER 106 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 2kb4 h LEU 107 N 0.00 1.01 0.12 -3.43 5.85 -1.85 -3.24 115.31 113.77 2kb4 h LEU 107 Ca 0.00 -0.40 -0.35 0.00 0.84 0.00 0.00 57.88 57.97 2kb4 h LEU 107 Cb 0.06 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.80 2kb4 h LEU 107 CO 0.00 1.18 -1.89 -1.13 -0.34 0.00 0.00 178.44 176.26 2kb4 h ASN 108 N 0.84 0.40 -0.55 1.25 -0.73 -1.17 -3.49 115.58 112.13 2kb4 h ASN 108 Ca 0.11 -0.92 0.00 0.00 1.87 0.00 0.00 56.30 57.36 2kb4 h ASN 108 Cb 0.79 -0.13 0.00 0.00 0.27 0.00 0.00 38.32 39.25 2kb4 h ASN 108 CO 0.07 1.82 0.00 0.61 -0.37 0.00 0.00 177.43 179.55 2kb4 n GLY 109 N 1.93 -0.60 3.62 1.57 0.00 -0.36 -4.20 105.19 107.15 2kb4 n GLY 109 Ca -0.31 -0.68 -0.41 0.00 0.00 0.00 0.00 46.02 44.62 2kb4 n GLY 109 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 110 N 0.00 4.95 -0.10 2.61 2.01 -1.26 -0.86 115.64 122.99 2kb4 s THR 110 Ca 0.00 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.17 2kb4 s THR 110 Cb 0.00 -3.98 -0.02 0.00 0.01 0.00 0.00 72.50 68.51 2kb4 s THR 110 CO 0.00 -0.02 -0.11 -0.31 -0.69 0.00 0.00 174.62 173.49 2kb4 s TYR 111 N 2.59 2.84 -0.10 4.92 2.02 0.93 -4.02 117.35 126.52 2kb4 s TYR 111 Ca 0.28 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.64 2kb4 s TYR 111 Cb -0.15 -1.77 -0.03 0.00 -0.40 0.00 0.00 41.96 39.60 2kb4 s TYR 111 CO 0.09 0.04 -0.04 0.54 -1.57 0.00 0.00 175.55 174.61 2kb4 s VAL 112 N -0.19 3.93 0.00 0.71 0.11 0.70 0.06 120.40 125.72 2kb4 s VAL 112 Ca 0.01 -0.38 0.00 0.00 -2.93 0.00 0.00 61.98 58.69 2kb4 s VAL 112 Cb -0.13 -2.66 0.00 0.00 -1.53 0.00 0.00 36.38 32.06 2kb4 s VAL 112 CO 0.03 0.56 0.00 0.59 -3.33 0.00 0.00 175.10 172.95 2kb4 n ASN 113 N 2.69 0.00 -0.14 3.54 4.13 0.31 -0.17 115.26 125.61 2kb4 n ASN 113 Ca -0.18 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.08 2kb4 n ASN 113 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 2kb4 n ASN 113 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2kb4 n ARG 114 N 0.00 0.00 -4.60 3.52 5.12 -1.26 -4.64 116.66 114.79 2kb4 n ARG 114 Ca 0.00 -0.16 -0.26 0.00 -1.93 0.00 0.00 57.85 55.50 2kb4 n ARG 114 Cb 0.00 -0.13 -0.14 0.00 -1.16 0.00 0.00 32.46 31.04 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2kb4 s GLU 115 N 0.00 1.41 -0.21 5.56 2.02 0.76 -5.04 118.70 123.20 2kb4 s GLU 115 Ca 0.00 -1.04 -0.29 0.00 0.02 0.00 0.00 54.97 53.66 2kb4 s GLU 115 Cb 0.00 -1.59 -0.00 0.00 0.10 0.00 0.00 34.13 32.64 2kb4 s GLU 115 CO 0.00 0.40 1.17 -2.14 0.02 0.00 0.00 175.26 174.70 2kb4 s PRO 116 N -1.38 4.20 0.03 0.39 0.02 -1.26 -0.22 135.00 136.79 2kb4 s PRO 116 Ca 0.08 1.46 0.02 0.00 0.02 0.00 0.00 61.00 62.59 2kb4 s PRO 116 Cb -0.09 -3.72 -0.02 0.00 0.02 0.00 0.00 34.50 30.68 2kb4 s PRO 116 CO 0.03 -0.73 -0.07 1.03 -0.33 0.00 0.00 177.00 176.92 2kb4 s ARG 117 N 3.46 0.50 -0.08 5.54 1.81 -1.26 -4.97 118.95 123.95 2kb4 s ARG 117 Ca 0.50 -0.66 -0.11 0.00 -1.72 0.00 0.00 55.73 53.75 2kb4 s ARG 117 Cb -0.18 -0.30 -0.29 0.00 -0.45 0.00 0.00 34.95 33.73 2kb4 s ARG 117 CO 0.12 0.06 0.57 -2.95 -0.68 0.00 0.00 175.30 172.42 2kb4 h ASN 118 N 4.76 0.53 -3.68 0.23 -1.07 -1.91 -3.37 115.58 111.07 2kb4 h ASN 118 Ca -0.34 -0.93 -0.22 0.00 0.07 0.00 0.00 56.30 54.88 2kb4 h ASN 118 Cb 1.20 -0.17 -0.28 0.00 -2.07 0.00 0.00 38.32 36.99 2kb4 h ASN 118 CO 0.42 1.79 -0.62 0.00 0.07 0.00 0.00 177.43 179.10 2kb4 s ALA 119 N -2.56 -0.21 -0.00 4.14 0.00 -1.26 -0.09 121.76 121.78 2kb4 s ALA 119 Ca -0.18 0.35 -0.04 0.00 0.00 0.00 0.00 51.96 52.09 2kb4 s ALA 119 Cb 0.06 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.95 2kb4 s ALA 119 CO 0.82 -0.07 0.07 -1.14 0.00 0.00 0.00 175.76 175.43 2kb4 s GLN 120 N 0.34 0.31 -0.40 0.00 -0.44 -0.12 -5.00 119.66 114.35 2kb4 s GLN 120 Ca -0.02 -0.32 -0.25 0.00 -2.50 0.00 0.00 55.36 52.26 2kb4 s GLN 120 Cb -0.04 0.13 0.02 0.00 -1.64 0.00 0.00 33.01 31.48 2kb4 s GLN 120 CO -0.01 -0.06 0.92 0.54 0.50 0.00 0.00 175.29 177.17 2kb4 s VAL 121 N -0.99 4.55 0.39 1.34 0.11 -1.26 -0.72 120.40 123.82 2kb4 s VAL 121 Ca -0.11 1.02 -0.26 0.00 -2.93 0.00 0.00 61.98 59.70 2kb4 s VAL 121 Cb -0.06 -4.36 -0.11 0.00 -1.53 0.00 0.00 36.38 30.31 2kb4 s VAL 121 CO 0.00 -0.64 1.15 0.23 -3.33 0.00 0.00 175.10 172.51 2kb4 n MET 122 N 6.89 1.68 -5.11 1.54 0.00 0.34 -4.95 117.12 117.51 2kb4 n MET 122 Ca 0.06 0.60 -0.30 0.00 0.00 0.00 0.00 57.70 58.07 2kb4 n MET 122 Cb 0.48 -2.18 -0.16 0.00 0.00 0.00 0.00 33.22 31.36 2kb4 n MET 122 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 175.97 174.83 2kb4 s GLN 123 N -1.99 2.27 0.06 0.03 2.00 -1.26 -4.71 119.66 116.07 2kb4 s GLN 123 Ca 0.60 -0.80 -0.30 0.00 -2.00 0.00 0.00 55.36 52.86 2kb4 s GLN 123 Cb -0.56 -1.94 -0.05 0.00 0.80 0.00 0.00 33.01 31.26 2kb4 s GLN 123 CO 0.59 0.34 0.97 -0.08 -0.50 0.00 0.00 175.29 176.61 2kb4 s THR 124 N -0.10 4.65 0.00 -0.34 -1.32 -1.26 -3.70 115.64 113.57 2kb4 s THR 124 Ca -0.03 2.06 0.00 0.00 -1.21 0.00 0.00 61.69 62.50 2kb4 s THR 124 Cb -0.13 -4.32 0.00 0.00 -1.51 0.00 0.00 72.50 66.55 2kb4 s THR 124 CO 0.03 0.24 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 2kb4 n GLY 125 N 2.55 0.87 0.36 6.08 0.00 0.14 -4.95 105.19 110.24 2kb4 n GLY 125 Ca 0.04 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2kb4 n GLY 125 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kb4 n ASP 126 N 0.30 1.60 -4.12 1.61 -0.08 -1.19 -4.97 116.55 109.71 2kb4 n ASP 126 Ca 0.00 -1.23 -0.15 0.00 -1.51 0.00 0.00 54.79 51.90 2kb4 n ASP 126 Cb 0.00 0.07 -0.12 0.00 2.34 0.00 0.00 41.12 43.41 2kb4 n ASP 126 CO 0.00 0.00 0.00 -1.83 0.12 0.00 0.00 177.20 175.49 2kb4 s GLU 127 N -2.18 0.68 -0.16 -0.67 -1.05 -1.26 -0.89 118.70 113.18 2kb4 s GLU 127 Ca 0.01 -0.89 -0.02 0.00 -0.15 0.00 0.00 54.97 53.92 2kb4 s GLU 127 Cb 0.00 -0.53 -0.01 0.00 -0.44 0.00 0.00 34.13 33.15 2kb4 s GLU 127 CO 0.01 0.10 -0.10 0.42 0.95 0.00 0.00 175.26 176.64 2kb4 s ILE 128 N -1.51 3.20 -0.37 1.83 1.01 0.11 -0.53 121.20 124.94 2kb4 s ILE 128 Ca -0.05 -0.59 -0.12 0.00 0.00 0.00 0.00 60.65 59.89 2kb4 s ILE 128 Cb -0.09 -2.38 0.01 0.00 0.01 0.00 0.00 42.46 40.01 2kb4 s ILE 128 CO 0.01 0.50 0.24 -1.58 0.00 0.00 0.00 174.94 174.10 2kb4 s GLN 129 N 0.68 3.08 -0.56 2.79 2.00 0.11 -0.58 119.66 127.18 2kb4 s GLN 129 Ca -0.05 -0.92 -0.13 0.00 -2.00 0.00 0.00 55.36 52.25 2kb4 s GLN 129 Cb -0.15 -3.80 0.14 0.00 0.80 0.00 0.00 33.01 30.00 2kb4 s GLN 129 CO 0.02 -0.62 0.49 0.96 -0.50 0.00 0.00 175.29 175.63 2kb4 s ILE 130 N 1.64 4.93 0.00 -2.34 -4.36 0.62 -0.05 121.20 121.63 2kb4 s ILE 130 Ca 0.04 -1.75 0.00 0.00 -0.26 0.00 0.00 60.65 58.68 2kb4 s ILE 130 Cb -0.18 -4.17 0.00 0.00 1.25 0.00 0.00 42.46 39.36 2kb4 s ILE 130 CO 0.08 -0.86 0.00 0.61 0.24 0.00 0.00 174.94 175.01 2kb4 n GLY 131 N 4.94 0.81 0.00 6.27 0.00 -0.04 -0.72 105.19 116.45 2kb4 n GLY 131 Ca -0.08 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.43 2kb4 n GLY 131 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kb4 n LYS 132 N 0.00 -0.12 -4.17 1.61 4.76 -1.26 -5.03 118.16 113.95 2kb4 n LYS 132 Ca 0.00 -0.31 -0.25 0.00 -2.87 0.00 0.00 58.31 54.88 2kb4 n LYS 132 Cb 0.00 -0.79 -0.06 0.00 -1.84 0.00 0.00 35.03 32.34 2kb4 n LYS 132 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 2kb4 s PHE 133 N -0.07 2.95 -0.04 2.13 0.08 0.10 -5.01 117.98 118.12 2kb4 s PHE 133 Ca 0.00 -0.11 0.05 0.00 0.12 0.00 0.00 56.93 56.99 2kb4 s PHE 133 Cb 0.00 -1.39 -0.01 0.00 -0.57 0.00 0.00 43.02 41.05 2kb4 s PHE 133 CO 0.00 0.53 -0.19 -0.98 -0.10 0.00 0.00 175.22 174.48 2kb4 s ARG 134 N -3.24 1.89 -0.02 0.44 1.70 -1.24 -0.28 118.95 118.21 2kb4 s ARG 134 Ca 0.30 -0.67 0.06 0.00 -0.47 0.00 0.00 55.73 54.95 2kb4 s ARG 134 Cb -0.09 -1.66 -0.02 0.00 -0.57 0.00 0.00 34.95 32.62 2kb4 s ARG 134 CO 0.21 0.29 -0.20 -1.17 -1.08 0.00 0.00 175.30 173.35 2kb4 s LEU 135 N -0.07 2.04 -0.06 -1.89 0.20 0.25 -1.95 118.68 117.20 2kb4 s LEU 135 Ca -0.02 -0.37 0.03 0.00 0.69 0.00 0.00 54.13 54.45 2kb4 s LEU 135 Cb -0.11 -1.06 -0.03 0.00 -0.43 0.00 0.00 46.19 44.56 2kb4 s LEU 135 CO 0.02 0.25 -0.12 0.54 -0.29 0.00 0.00 176.35 176.75 2kb4 s VAL 136 N -0.46 3.24 -0.19 1.68 0.11 0.49 0.04 120.40 125.31 2kb4 s VAL 136 Ca 0.07 -0.65 -0.01 0.00 -2.93 0.00 0.00 61.98 58.46 2kb4 s VAL 136 Cb -0.08 -2.29 0.00 0.00 -1.53 0.00 0.00 36.38 32.48 2kb4 s VAL 136 CO -0.01 0.59 -0.13 0.12 -3.33 0.00 0.00 175.10 172.34 2kb4 s PHE 137 N -0.67 2.85 0.02 1.54 5.36 -0.07 -0.39 117.98 126.62 2kb4 s PHE 137 Ca 0.10 -1.23 0.05 0.00 -0.96 0.00 0.00 56.93 54.89 2kb4 s PHE 137 Cb -0.11 -1.98 -0.02 0.00 -0.34 0.00 0.00 43.02 40.57 2kb4 s PHE 137 CO 0.01 -0.63 -0.15 -0.51 -1.46 0.00 0.00 175.22 172.48 2kb4 s LEU 138 N 1.24 2.11 -0.68 6.12 2.01 -0.40 -0.69 118.68 128.39 2kb4 s LEU 138 Ca 0.03 -0.38 -0.01 0.00 0.01 0.00 0.00 54.13 53.78 2kb4 s LEU 138 Cb -0.14 -0.72 0.41 0.00 0.01 0.00 0.00 46.19 45.76 2kb4 s LEU 138 CO -0.06 0.11 1.89 0.00 1.01 0.00 0.00 176.35 179.30 2kb4 n ALA 139 N 2.25 6.19 0.27 4.21 0.00 -1.26 -0.14 120.51 132.03 2kb4 n ALA 139 Ca -0.16 -3.79 -0.11 0.00 0.00 0.00 0.00 53.44 49.38 2kb4 n ALA 139 Cb 0.55 -1.62 -0.05 0.00 0.00 0.00 0.00 19.45 18.32 2kb4 n ALA 139 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 2kb4 h GLY 140 N 2.41 -0.72 -5.06 0.00 0.00 -1.91 -3.44 103.07 94.35 2kb4 h GLY 140 Ca 0.55 0.27 -0.57 0.00 0.00 0.00 0.00 47.33 47.58 2kb4 h GLY 140 CO 1.41 -0.26 0.83 2.56 0.00 0.00 0.00 176.54 181.08 2kb4 s PRO 141 N -4.49 4.26 -0.40 4.80 0.05 -1.26 -4.99 135.00 132.98 2kb4 s PRO 141 Ca -0.10 1.57 -0.05 0.00 0.05 0.00 0.00 61.00 62.47 2kb4 s PRO 141 Cb 0.01 -3.69 0.09 0.00 0.05 0.00 0.00 34.50 30.95 2kb4 s PRO 141 CO 0.30 -0.63 0.20 0.00 0.05 0.00 0.00 177.00 176.91 2kb4 s ALA 142 N 3.18 3.16 -1.19 8.56 0.00 -1.26 -4.04 121.76 130.16 2kb4 s ALA 142 Ca 0.52 -2.26 0.10 0.00 0.00 0.00 0.00 51.96 50.31 2kb4 s ALA 142 Cb -0.20 -2.44 0.08 0.00 0.00 0.00 0.00 23.12 20.55 2kb4 s ALA 142 CO 0.13 -1.66 0.80 0.39 0.00 0.00 0.00 175.76 175.43