#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 0.61 -3.94 6.12 0.87 -2.07 -3.41 113.55 111.74 2kb4 h SER 2 Ca 0.00 -0.64 -0.48 0.00 -1.23 0.00 0.00 61.79 59.43 2kb4 h SER 2 Cb 0.00 -0.20 0.02 0.00 -0.44 0.00 0.00 62.40 61.78 2kb4 h SER 2 CO 0.00 1.50 0.42 1.51 -0.53 0.00 0.00 176.83 179.72 2kb4 s ASP 3 N -7.33 6.84 -0.94 6.23 -4.77 -1.26 -3.83 116.67 111.62 2kb4 s ASP 3 Ca -0.06 2.06 -0.06 0.00 -3.30 0.00 0.00 52.55 51.18 2kb4 s ASP 3 Cb 0.06 -2.59 -0.03 0.00 -1.09 0.00 0.00 42.92 39.27 2kb4 s ASP 3 CO 0.91 -0.43 0.81 -3.20 0.70 0.00 0.00 175.17 173.95 2kb4 n ASN 4 N 0.11 -6.75 -4.69 2.11 2.85 -1.26 -4.97 115.26 102.65 2kb4 n ASN 4 Ca 0.04 -0.55 -0.29 0.00 -0.11 0.00 0.00 54.58 53.67 2kb4 n ASN 4 Cb 0.49 -4.76 0.16 0.00 1.24 0.00 0.00 39.78 36.91 2kb4 n ASN 4 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2kb4 s ASN 5 N -3.24 2.97 0.62 1.20 2.47 -1.25 -4.67 114.94 113.04 2kb4 s ASN 5 Ca 0.28 1.35 -0.18 0.00 0.42 0.00 0.00 52.86 54.73 2kb4 s ASN 5 Cb -0.05 -2.03 -0.03 0.00 -1.45 0.00 0.00 41.25 37.69 2kb4 s ASN 5 CO 0.77 -2.94 1.17 0.61 -3.72 0.00 0.00 177.10 173.00 2kb4 n GLY 6 N -1.02 0.24 3.69 1.21 0.00 -1.26 -4.90 105.19 103.14 2kb4 n GLY 6 Ca 0.06 -0.13 -0.42 0.00 0.00 0.00 0.00 46.02 45.53 2kb4 n GLY 6 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kb4 s THR 7 N -1.42 3.36 0.61 2.61 2.01 -1.26 -4.97 115.64 116.57 2kb4 s THR 7 Ca 0.79 0.76 -0.18 0.00 0.31 0.00 0.00 61.69 63.38 2kb4 s THR 7 Cb -0.40 -3.49 -0.03 0.00 0.01 0.00 0.00 72.50 68.60 2kb4 s THR 7 CO 0.44 -0.01 1.15 -2.16 -0.69 0.00 0.00 174.62 173.35 2kb4 s PRO 8 N 2.61 2.97 -0.30 4.92 0.04 -1.26 -4.96 135.00 139.01 2kb4 s PRO 8 Ca 0.69 1.63 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 2kb4 s PRO 8 Cb -0.36 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.22 2kb4 s PRO 8 CO 0.30 -1.16 1.65 -1.21 0.04 0.00 0.00 177.00 176.62 2kb4 s GLU 9 N -3.58 3.56 -0.31 4.56 0.41 -1.26 -4.87 118.70 117.21 2kb4 s GLU 9 Ca 0.73 1.43 -0.33 0.00 -0.41 0.00 0.00 54.97 56.38 2kb4 s GLU 9 Cb -0.25 -4.10 -0.09 0.00 -1.78 0.00 0.00 34.13 27.90 2kb4 s GLU 9 CO 0.34 -1.58 2.20 -0.35 -0.49 0.00 0.00 175.26 175.39 2kb4 n PRO 10 N 8.06 1.33 -3.01 0.39 -0.04 -1.26 -4.91 135.00 135.56 2kb4 n PRO 10 Ca 0.20 0.36 -0.43 0.00 -0.04 0.00 0.00 63.50 63.59 2kb4 n PRO 10 Cb 0.46 -2.69 -0.06 0.00 -0.04 0.00 0.00 33.50 31.18 2kb4 n PRO 10 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2kb4 s GLN 11 N 6.29 3.29 -0.81 0.54 0.74 -1.26 -4.94 119.66 123.50 2kb4 s GLN 11 Ca 1.07 -0.40 -0.20 0.00 0.05 0.00 0.00 55.36 55.89 2kb4 s GLN 11 Cb -0.70 -4.01 0.11 0.00 1.10 0.00 0.00 33.01 29.51 2kb4 s GLN 11 CO 0.45 -1.21 1.03 0.08 -0.55 0.00 0.00 175.29 175.09 2kb4 s VAL 12 N 3.19 4.62 0.19 1.34 1.01 -1.26 -4.90 120.40 124.59 2kb4 s VAL 12 Ca 0.25 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.77 2kb4 s VAL 12 Cb -0.14 -4.72 -0.09 0.00 0.00 0.00 0.00 36.38 31.43 2kb4 s VAL 12 CO 0.18 -1.45 1.30 -1.83 0.00 0.00 0.00 175.10 173.30 2kb4 s GLU 13 N 3.08 4.40 -0.24 2.72 -1.05 -1.26 -4.92 118.70 121.44 2kb4 s GLU 13 Ca 0.27 2.03 -0.29 0.00 -0.15 0.00 0.00 54.97 56.84 2kb4 s GLU 13 Cb -0.10 -3.20 -0.03 0.00 -0.44 0.00 0.00 34.13 30.35 2kb4 s GLU 13 CO -0.02 -0.24 1.86 0.99 0.95 0.00 0.00 175.26 178.81 2kb4 s THR 14 N 0.11 3.38 -0.17 1.83 2.01 -1.26 -4.87 115.64 116.67 2kb4 s THR 14 Ca 0.56 0.41 -0.41 0.00 0.31 0.00 0.00 61.69 62.56 2kb4 s THR 14 Cb -0.36 -3.45 -0.18 0.00 0.01 0.00 0.00 72.50 68.51 2kb4 s THR 14 CO 0.38 -0.24 1.42 0.41 -0.69 0.00 0.00 174.62 175.89 2kb4 n THR 15 N 7.05 0.07 -3.96 -0.82 -1.04 -1.26 -4.97 114.28 109.35 2kb4 n THR 15 Ca 0.23 -0.01 -0.32 0.00 -2.04 0.00 0.00 64.05 61.91 2kb4 n THR 15 Cb 0.45 -0.59 -0.14 0.00 -1.82 0.00 0.00 70.33 68.24 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2kb4 s SER 16 N 1.67 4.88 0.32 8.00 0.15 -1.25 -5.09 113.70 122.39 2kb4 s SER 16 Ca 0.95 -2.14 0.03 0.00 0.70 0.00 0.00 55.95 55.49 2kb4 s SER 16 Cb -1.21 -1.68 -0.06 0.00 -1.71 0.00 0.00 66.02 61.36 2kb4 s SER 16 CO 0.63 -0.42 0.07 0.68 1.20 0.00 0.00 173.24 175.41 2kb4 s VAL 17 N 0.94 1.00 -0.69 4.45 -7.23 -1.26 -4.25 120.40 113.36 2kb4 s VAL 17 Ca 0.10 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.12 2kb4 s VAL 17 Cb -0.20 -2.71 0.16 0.00 0.56 0.00 0.00 36.38 34.19 2kb4 s VAL 17 CO -0.07 0.00 0.68 0.72 -0.31 0.00 0.00 175.10 176.12 2kb4 s PHE 18 N -3.38 3.40 -0.17 2.82 -0.71 -1.26 -4.75 117.98 113.93 2kb4 s PHE 18 Ca 0.35 -1.52 -0.05 0.00 -1.04 0.00 0.00 56.93 54.67 2kb4 s PHE 18 Cb 0.08 -3.87 0.02 0.00 -1.21 0.00 0.00 43.02 38.04 2kb4 s PHE 18 CO 0.15 -1.08 0.11 -2.13 -1.34 0.00 0.00 175.22 170.92 2kb4 n ARG 19 N 5.00 -2.99 0.00 1.99 0.63 -1.26 -4.90 116.66 115.13 2kb4 n ARG 19 Ca 0.00 2.44 0.14 0.00 -0.92 0.00 0.00 57.85 59.51 2kb4 n ARG 19 Cb 0.44 -4.03 0.54 0.00 0.45 0.00 0.00 32.46 29.86 2kb4 n ARG 19 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kb4 n ALA 20 N 0.92 2.84 -0.00 5.13 0.00 -1.26 -3.71 120.51 124.43 2kb4 n ALA 20 Ca -0.18 -0.32 -0.12 0.00 0.00 0.00 0.00 53.44 52.82 2kb4 n ALA 20 Cb 0.28 -1.26 -0.08 0.00 0.00 0.00 0.00 19.45 18.39 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 0.89 0.06 -2.12 0.00 5.19 -2.00 -3.42 116.42 115.01 2kb4 h ASP 21 Ca 0.00 -0.25 -0.17 0.00 -0.62 0.00 0.00 57.03 56.00 2kb4 h ASP 21 Cb 0.40 -0.01 -0.30 0.00 0.18 0.00 0.00 39.33 39.60 2kb4 h ASP 21 CO 0.00 0.29 -0.49 -0.22 -3.12 0.00 0.00 179.24 175.70 2kb4 s LEU 22 N -9.70 -0.55 -0.27 1.55 2.96 -1.24 -5.12 118.68 106.31 2kb4 s LEU 22 Ca -0.14 0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.98 2kb4 s LEU 22 Cb 0.04 1.03 -0.03 0.00 0.50 0.00 0.00 46.19 47.74 2kb4 s LEU 22 CO 0.68 -0.29 0.12 -0.22 -1.32 0.00 0.00 176.35 175.32 2kb4 s LEU 23 N 2.52 3.78 -0.15 -0.68 1.98 -1.26 -4.87 118.68 120.00 2kb4 s LEU 23 Ca 0.09 -0.25 -0.14 0.00 -2.89 0.00 0.00 54.13 50.94 2kb4 s LEU 23 Cb -0.15 -2.00 -0.05 0.00 0.66 0.00 0.00 46.19 44.66 2kb4 s LEU 23 CO -0.14 -0.09 0.32 -0.54 -1.89 0.00 0.00 176.35 174.01 2kb4 s LYS 24 N 1.65 4.23 -0.82 1.98 -0.14 -1.26 -5.00 119.74 120.38 2kb4 s LYS 24 Ca 0.06 0.15 -0.25 0.00 -1.36 0.00 0.00 55.97 54.57 2kb4 s LYS 24 Cb -0.16 -3.41 -0.02 0.00 -1.68 0.00 0.00 37.83 32.56 2kb4 s LYS 24 CO 0.06 0.26 1.82 -1.21 -0.76 0.00 0.00 175.35 175.52 2kb4 s GLU 25 N 0.38 2.74 -0.50 1.68 8.01 -1.26 -4.93 118.70 124.82 2kb4 s GLU 25 Ca 0.18 -0.13 -0.29 0.00 0.01 0.00 0.00 54.97 54.75 2kb4 s GLU 25 Cb -0.13 -4.85 0.03 0.00 -4.31 0.00 0.00 34.13 24.87 2kb4 s GLU 25 CO 0.05 -2.98 1.14 -1.64 0.01 0.00 0.00 175.26 171.84 2kb4 s MET 26 N 6.70 3.66 -0.04 1.61 -1.94 -1.26 -5.00 119.30 123.04 2kb4 s MET 26 Ca 0.64 0.47 0.04 0.00 -1.71 0.00 0.00 55.69 55.13 2kb4 s MET 26 Cb -0.08 -3.93 -0.03 0.00 2.01 0.00 0.00 34.83 32.80 2kb4 s MET 26 CO 0.05 -1.44 -0.15 -1.83 -0.01 0.00 0.00 175.02 171.64 2kb4 s GLU 27 N 4.53 2.45 -0.53 2.03 -1.05 -1.26 -5.08 118.70 119.78 2kb4 s GLU 27 Ca 0.46 -0.73 -0.19 0.00 -0.15 0.00 0.00 54.97 54.36 2kb4 s GLU 27 Cb -0.07 -2.35 0.07 0.00 -0.44 0.00 0.00 34.13 31.33 2kb4 s GLU 27 CO 0.30 0.61 0.66 -1.54 0.95 0.00 0.00 175.26 176.25 2kb4 s SER 28 N -0.84 6.22 0.42 0.83 1.04 -1.26 -4.85 113.70 115.27 2kb4 s SER 28 Ca 0.12 -0.98 0.27 0.00 0.48 0.00 0.00 55.95 55.84 2kb4 s SER 28 Cb -0.11 -2.30 0.80 0.00 0.10 0.00 0.00 66.02 64.51 2kb4 s SER 28 CO 0.01 -0.96 1.76 -1.28 0.98 0.00 0.00 173.24 173.75 2kb4 h SER 29 N 9.06 0.00 -3.19 7.02 0.87 -1.98 -3.43 113.55 121.90 2kb4 h SER 29 Ca -0.28 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.30 2kb4 h SER 29 Cb 1.09 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.83 2kb4 h SER 29 CO 1.00 0.00 0.09 0.28 -0.53 0.00 0.00 176.83 177.68 2kb4 s THR 30 N -3.35 0.00 -5.00 2.23 -1.32 -1.26 -5.15 115.64 101.79 2kb4 s THR 30 Ca 0.05 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.53 2kb4 s THR 30 Cb 0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 70.07 2kb4 s THR 30 CO 0.59 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.61 2kb4 n GLY 31 N 3.82 0.61 3.63 6.08 0.00 -1.26 -5.09 105.19 112.97 2kb4 n GLY 31 Ca -0.18 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.99 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 -3.77 3.71 -0.28 2.61 -1.32 -1.26 -5.09 115.64 110.24 2kb4 s THR 32 Ca 0.00 -1.05 -0.19 0.00 -1.21 0.00 0.00 61.69 59.24 2kb4 s THR 32 Cb 0.00 -2.73 -0.02 0.00 -1.51 0.00 0.00 72.50 68.24 2kb4 s THR 32 CO 0.00 0.17 0.56 0.00 -2.21 0.00 0.00 174.62 173.14 2kb4 s ALA 33 N -1.22 3.57 -0.16 11.08 0.00 -1.26 -4.89 121.76 128.88 2kb4 s ALA 33 Ca 0.22 -0.61 -0.29 0.00 0.00 0.00 0.00 51.96 51.29 2kb4 s ALA 33 Cb -0.11 -2.98 -0.03 0.00 0.00 0.00 0.00 23.12 20.00 2kb4 s ALA 33 CO 0.15 -0.86 1.57 -2.14 0.00 0.00 0.00 175.76 174.47 2kb4 s PRO 34 N 2.42 3.98 -0.01 0.00 0.02 -1.26 -4.80 135.00 135.35 2kb4 s PRO 34 Ca 0.23 1.81 0.21 0.00 0.02 0.00 0.00 61.00 63.27 2kb4 s PRO 34 Cb -0.15 -3.98 0.35 0.00 0.02 0.00 0.00 34.50 30.74 2kb4 s PRO 34 CO 0.10 -1.07 1.14 0.00 -0.33 0.00 0.00 177.00 176.84 2kb4 n ALA 35 N 7.76 2.64 1.82 -1.55 0.00 -1.26 -4.90 120.51 125.02 2kb4 n ALA 35 Ca 0.17 -2.04 0.13 0.00 0.00 0.00 0.00 53.44 51.71 2kb4 n ALA 35 Cb 0.44 -0.67 0.77 0.00 0.00 0.00 0.00 19.45 20.00 2kb4 n ALA 35 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2kb4 n SER 36 N 0.35 0.00 -3.59 0.00 3.41 -1.26 -4.75 113.62 107.78 2kb4 n SER 36 Ca -0.01 -1.01 -0.26 0.00 -0.26 0.00 0.00 58.87 57.34 2kb4 n SER 36 Cb 1.05 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.20 2kb4 n SER 36 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2kb4 n THR 37 N -0.95 0.00 -2.08 6.66 5.66 -1.26 -4.90 114.28 117.42 2kb4 n THR 37 Ca 0.20 -0.70 -0.42 0.00 -3.05 0.00 0.00 64.05 60.07 2kb4 n THR 37 Cb 0.09 -1.43 -0.00 0.00 -1.55 0.00 0.00 70.33 67.43 2kb4 n THR 37 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2kb4 n GLY 38 N -3.18 3.53 0.16 1.09 0.00 -1.26 -4.65 105.19 100.87 2kb4 n GLY 38 Ca 0.14 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.55 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 6.78 0.56 0.00 4.61 0.00 -1.90 -1.83 119.26 127.48 2kb4 h ALA 39 Ca 0.51 -0.65 -0.06 0.00 0.00 0.00 0.00 54.91 54.71 2kb4 h ALA 39 Cb 0.74 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2kb4 h ALA 39 CO 1.70 0.81 -0.29 1.05 0.00 0.00 0.00 179.25 182.52 2kb4 h GLU 40 N 0.20 0.00 -0.01 0.00 9.09 -1.97 -2.84 114.58 119.06 2kb4 h GLU 40 Ca -0.04 0.00 -0.21 0.00 0.05 0.00 0.00 59.36 59.16 2kb4 h GLU 40 Cb 1.39 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.49 2kb4 h GLU 40 CO 0.13 0.29 -0.90 -0.91 0.05 0.00 0.00 179.01 177.67 2kb4 h ASN 41 N 0.00 0.45 -3.83 3.06 4.21 -1.89 -3.50 115.58 114.08 2kb4 h ASN 41 Ca -0.00 -0.35 0.00 0.00 1.21 0.00 0.00 56.30 57.15 2kb4 h ASN 41 Cb 1.08 -0.14 0.00 0.00 -1.12 0.00 0.00 38.32 38.15 2kb4 h ASN 41 CO 0.04 1.15 -0.53 -0.11 -1.29 0.00 0.00 177.43 176.69 2kb4 n LEU 42 N -3.73 -4.33 -4.55 1.61 7.94 -0.70 -4.83 117.00 108.41 2kb4 n LEU 42 Ca -0.06 1.73 -0.46 0.00 -1.11 0.00 0.00 56.01 56.11 2kb4 n LEU 42 Cb 0.81 -2.19 -0.05 0.00 0.53 0.00 0.00 43.42 42.52 2kb4 n LEU 42 CO 0.50 -1.15 1.80 -0.81 -1.11 0.00 0.00 177.39 176.62 2kb4 n PRO 43 N 1.03 1.67 -4.30 1.96 -0.04 -1.26 -4.96 135.00 129.10 2kb4 n PRO 43 Ca 0.00 0.48 -0.28 0.00 -0.04 0.00 0.00 63.50 63.66 2kb4 n PRO 43 Cb 0.00 -2.90 -0.10 0.00 -0.04 0.00 0.00 33.50 30.46 2kb4 n PRO 43 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kb4 s ALA 44 N 7.51 2.84 0.00 0.55 0.00 -1.26 -4.63 121.76 126.77 2kb4 s ALA 44 Ca 1.03 -1.45 0.00 0.00 0.00 0.00 0.00 51.96 51.55 2kb4 s ALA 44 Cb -0.56 -0.68 0.00 0.00 0.00 0.00 0.00 23.12 21.88 2kb4 s ALA 44 CO 0.42 0.51 0.00 0.41 0.00 0.00 0.00 175.76 177.10 2kb4 n GLY 45 N 0.30 0.60 3.95 0.00 0.00 -0.72 -4.92 105.19 104.40 2kb4 n GLY 45 Ca -0.12 -0.78 -0.23 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.93 5.29 0.64 1.61 0.01 -1.21 -4.27 113.70 112.84 2kb4 s SER 46 Ca 0.00 0.23 0.04 0.00 1.31 0.00 0.00 55.95 57.52 2kb4 s SER 46 Cb 0.00 -1.12 0.10 0.00 0.21 0.00 0.00 66.02 65.21 2kb4 s SER 46 CO 0.00 -1.17 0.88 0.00 0.41 0.00 0.00 173.24 173.36 2kb4 s ALA 47 N -2.87 4.15 0.12 1.44 0.00 -1.26 -0.41 121.76 122.93 2kb4 s ALA 47 Ca 0.56 -1.86 0.03 0.00 0.00 0.00 0.00 51.96 50.69 2kb4 s ALA 47 Cb -0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 23.12 21.19 2kb4 s ALA 47 CO 0.41 -1.13 -0.08 -0.48 0.00 0.00 0.00 175.76 174.48 2kb4 s LEU 48 N -4.89 2.50 0.02 0.00 -0.00 -0.69 -2.45 118.68 113.16 2kb4 s LEU 48 Ca 0.63 -1.02 0.04 0.00 -0.00 0.00 0.00 54.13 53.78 2kb4 s LEU 48 Cb -0.06 -0.19 -0.02 0.00 -0.00 0.00 0.00 46.19 45.93 2kb4 s LEU 48 CO 0.41 -0.42 -0.12 -1.48 -0.00 0.00 0.00 176.35 174.75 2kb4 s LEU 49 N -3.10 2.12 -0.02 1.48 0.05 -0.79 -0.96 118.68 117.46 2kb4 s LEU 49 Ca 0.15 -0.36 0.06 0.00 0.05 0.00 0.00 54.13 54.02 2kb4 s LEU 49 Cb 0.04 -0.52 -0.01 0.00 -2.05 0.00 0.00 46.19 43.65 2kb4 s LEU 49 CO -0.02 0.04 -0.20 -0.69 -0.55 0.00 0.00 176.35 174.93 2kb4 s VAL 50 N -0.68 1.57 -0.32 1.48 1.01 0.34 -1.32 120.40 122.48 2kb4 s VAL 50 Ca 0.01 -0.84 -0.19 0.00 0.00 0.00 0.00 61.98 60.96 2kb4 s VAL 50 Cb -0.07 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 35.00 2kb4 s VAL 50 CO 0.01 0.44 0.56 -0.69 0.00 0.00 0.00 175.10 175.41 2kb4 s VAL 51 N -0.43 4.99 -0.03 2.92 1.01 0.28 -0.18 120.40 128.96 2kb4 s VAL 51 Ca 0.07 0.59 -0.22 0.00 0.00 0.00 0.00 61.98 62.41 2kb4 s VAL 51 Cb -0.08 -3.96 -0.25 0.00 0.00 0.00 0.00 36.38 32.09 2kb4 s VAL 51 CO -0.00 -0.16 1.02 0.50 0.00 0.00 0.00 175.10 176.46 2kb4 h LYS 52 N 8.32 0.28 -1.95 2.72 3.64 -1.45 -3.41 116.57 124.72 2kb4 h LYS 52 Ca -0.28 -0.33 -0.14 0.00 -1.27 0.00 0.00 60.65 58.64 2kb4 h LYS 52 Cb 1.12 0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 32.75 2kb4 h LYS 52 CO 0.78 1.05 -0.46 0.50 -2.27 0.00 0.00 179.45 179.04 2kb4 s ARG 53 N -3.00 0.35 0.00 1.90 6.06 -0.86 -4.99 118.95 118.41 2kb4 s ARG 53 Ca -0.15 0.61 0.00 0.00 -2.50 0.00 0.00 55.73 53.70 2kb4 s ARG 53 Cb 0.02 -0.34 0.00 0.00 0.06 0.00 0.00 34.95 34.68 2kb4 s ARG 53 CO 0.78 -0.59 0.00 0.41 -2.50 0.00 0.00 175.30 173.40 2kb4 n GLY 54 N 5.37 2.21 0.00 8.12 0.00 -1.26 -0.85 105.19 118.77 2kb4 n GLY 54 Ca -0.04 0.34 0.03 0.00 0.00 0.00 0.00 46.02 46.35 2kb4 n GLY 54 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kb4 n PRO 55 N 0.00 0.04 -0.32 1.61 -0.04 -1.26 -2.00 135.00 133.03 2kb4 n PRO 55 Ca 0.00 0.31 0.20 0.00 -0.04 0.00 0.00 63.50 63.97 2kb4 n PRO 55 Cb 0.00 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.37 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 -0.04 0.00 0.00 175.50 174.49 2kb4 h ASN 56 N 0.00 0.25 0.00 3.54 -0.00 -1.82 -3.40 115.58 114.16 2kb4 h ASN 56 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 56.30 56.51 2kb4 h ASN 56 Cb 0.07 0.22 0.00 0.00 -0.00 0.00 0.00 38.32 38.61 2kb4 h ASN 56 CO 0.00 -0.19 0.00 0.00 -0.00 0.00 0.00 177.43 177.24 2kb4 n ALA 57 N -2.49 0.87 -2.23 1.57 0.00 -1.00 -4.19 120.51 113.04 2kb4 n ALA 57 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.72 2kb4 n ALA 57 Cb 0.90 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.35 2kb4 n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kb4 n GLY 58 N -0.63 0.66 0.00 0.00 0.00 -0.85 -5.03 105.19 99.34 2kb4 n GLY 58 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 -1.73 0.00 -2.51 4.61 0.00 -1.26 -4.90 120.51 114.71 2kb4 n ALA 59 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 2kb4 n ALA 59 Cb 0.50 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.83 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 -0.41 1.14 -0.05 0.00 1.70 -1.26 -0.56 118.95 119.51 2kb4 s ARG 60 Ca 0.00 -1.25 -0.25 0.00 -0.47 0.00 0.00 55.73 53.75 2kb4 s ARG 60 Cb 0.00 -1.22 0.05 0.00 -0.57 0.00 0.00 34.95 33.21 2kb4 s ARG 60 CO 0.00 0.26 0.56 -0.59 -1.08 0.00 0.00 175.30 174.45 2kb4 s PHE 61 N -1.71 -0.51 0.12 5.89 -0.12 -0.43 -5.00 117.98 116.22 2kb4 s PHE 61 Ca 0.10 0.88 -0.22 0.00 -0.05 0.00 0.00 56.93 57.64 2kb4 s PHE 61 Cb -0.07 0.30 -0.07 0.00 -0.63 0.00 0.00 43.02 42.54 2kb4 s PHE 61 CO 0.05 -0.52 0.66 -1.17 -0.05 0.00 0.00 175.22 174.18 2kb4 s LEU 62 N -1.15 4.54 -0.34 -1.99 2.96 -1.26 -1.89 118.68 119.55 2kb4 s LEU 62 Ca -0.11 1.42 -0.29 0.00 -0.22 0.00 0.00 54.13 54.93 2kb4 s LEU 62 Cb -0.02 -3.10 0.01 0.00 0.50 0.00 0.00 46.19 43.59 2kb4 s LEU 62 CO 0.08 0.23 1.18 -0.76 -1.32 0.00 0.00 176.35 175.76 2kb4 s LEU 63 N -1.18 3.85 0.00 -0.68 2.01 -1.03 -4.77 118.68 116.89 2kb4 s LEU 63 Ca 0.33 1.00 0.00 0.00 0.01 0.00 0.00 54.13 55.47 2kb4 s LEU 63 Cb -0.21 -3.54 0.00 0.00 0.01 0.00 0.00 46.19 42.45 2kb4 s LEU 63 CO 0.22 -1.03 0.24 -0.90 1.01 0.00 0.00 176.35 175.89 2kb4 n ASP 64 N 7.35 0.48 -4.27 2.29 5.75 -1.26 -4.71 116.55 122.18 2kb4 n ASP 64 Ca 0.13 -0.83 -0.36 0.00 -0.01 0.00 0.00 54.79 53.72 2kb4 n ASP 64 Cb 0.47 0.16 -0.13 0.00 -1.03 0.00 0.00 41.12 40.58 2kb4 n ASP 64 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2kb4 s GLN 65 N -0.16 2.90 0.43 0.11 0.00 -1.26 -4.48 119.66 117.21 2kb4 s GLN 65 Ca 0.00 -0.96 0.21 0.00 -0.00 0.00 0.00 55.36 54.61 2kb4 s GLN 65 Cb 0.00 -3.22 1.17 0.00 0.00 0.00 0.00 33.01 30.95 2kb4 s GLN 65 CO 0.00 -0.46 1.81 -1.00 0.00 0.00 0.00 175.29 175.64 2kb4 h PRO 66 N 8.13 0.32 -3.52 9.60 0.13 -1.93 -3.33 132.00 141.40 2kb4 h PRO 66 Ca -0.30 -0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.26 2kb4 h PRO 66 Cb 1.11 -0.07 -0.40 0.00 0.13 0.00 0.00 31.00 31.77 2kb4 h PRO 66 CO 0.59 0.21 -0.76 0.99 -0.23 0.00 0.00 178.00 178.80 2kb4 s THR 67 N -5.38 0.65 -0.35 1.56 2.01 -1.26 -2.21 115.64 110.66 2kb4 s THR 67 Ca -0.08 -0.92 -0.12 0.00 0.31 0.00 0.00 61.69 60.88 2kb4 s THR 67 Cb 0.24 -1.30 0.00 0.00 0.01 0.00 0.00 72.50 71.45 2kb4 s THR 67 CO 0.79 -0.42 0.22 -0.89 -0.69 0.00 0.00 174.62 173.63 2kb4 s THR 68 N 1.77 4.93 0.02 -0.82 2.01 -0.09 -4.94 115.64 118.51 2kb4 s THR 68 Ca 0.04 -0.51 -0.13 0.00 0.31 0.00 0.00 61.69 61.39 2kb4 s THR 68 Cb -0.17 -3.62 -0.06 0.00 0.01 0.00 0.00 72.50 68.66 2kb4 s THR 68 CO -0.17 -0.10 0.40 -0.89 -0.69 0.00 0.00 174.62 173.17 2kb4 s THR 69 N 1.65 5.05 -0.12 -0.82 2.01 -1.26 -0.08 115.64 122.07 2kb4 s THR 69 Ca 0.05 0.73 0.03 0.00 0.31 0.00 0.00 61.69 62.80 2kb4 s THR 69 Cb -0.18 -3.69 0.01 0.00 0.01 0.00 0.00 72.50 68.65 2kb4 s THR 69 CO 0.08 0.50 -0.21 0.00 -0.69 0.00 0.00 174.62 174.30 2kb4 s ALA 70 N -1.17 2.13 0.00 7.40 0.00 0.69 -0.12 121.76 130.69 2kb4 s ALA 70 Ca 0.26 -0.99 0.00 0.00 0.00 0.00 0.00 51.96 51.23 2kb4 s ALA 70 Cb -0.16 -0.91 0.00 0.00 0.00 0.00 0.00 23.12 22.05 2kb4 s ALA 70 CO 0.14 0.06 0.00 0.41 0.00 0.00 0.00 175.76 176.38 2kb4 n GLY 71 N 3.92 1.45 0.02 0.00 0.00 -1.14 -1.62 105.19 107.82 2kb4 n GLY 71 Ca -0.20 0.02 -0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 1.87 -3.91 1.61 0.63 -1.04 -2.34 116.66 113.48 2kb4 n ARG 72 Ca 0.00 -0.03 -0.24 0.00 -0.92 0.00 0.00 57.85 56.67 2kb4 n ARG 72 Cb 0.00 -1.15 -0.02 0.00 0.45 0.00 0.00 32.46 31.73 2kb4 n ARG 72 CO 0.00 0.00 0.00 -1.01 -2.51 0.00 0.00 177.63 174.11 2kb4 s HIS 73 N -2.27 3.47 0.65 -0.14 3.76 -1.26 -4.97 115.29 114.53 2kb4 s HIS 73 Ca -0.03 0.08 0.27 0.00 -0.15 0.00 0.00 55.06 55.24 2kb4 s HIS 73 Cb 0.03 -1.65 1.46 0.00 1.11 0.00 0.00 32.58 33.53 2kb4 s HIS 73 CO 0.25 0.46 1.84 -1.35 -0.85 0.00 0.00 174.74 175.08 2kb4 h PRO 74 N 1.63 0.00 0.00 8.40 0.11 -1.97 0.19 132.00 140.37 2kb4 h PRO 74 Ca -0.50 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.61 2kb4 h PRO 74 Cb 1.21 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kb4 h PRO 74 CO 0.65 0.00 -0.00 0.93 -0.21 0.00 0.00 178.00 179.36 2kb4 h GLU 75 N 0.00 0.00 -6.34 1.05 4.39 -1.96 -3.40 114.58 108.32 2kb4 h GLU 75 Ca 0.05 0.00 -0.55 0.00 0.34 0.00 0.00 59.36 59.20 2kb4 h GLU 75 Cb 0.91 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 2kb4 h GLU 75 CO -0.00 0.00 0.06 -1.12 -1.16 0.00 0.00 179.01 176.80 2kb4 s SER 76 N -5.53 7.20 0.11 1.42 0.01 0.68 -4.56 113.70 113.02 2kb4 s SER 76 Ca -0.05 1.42 0.06 0.00 1.31 0.00 0.00 55.95 58.69 2kb4 s SER 76 Cb 0.14 -2.42 -0.22 0.00 0.21 0.00 0.00 66.02 63.72 2kb4 s SER 76 CO 0.47 0.22 1.25 -0.78 0.41 0.00 0.00 173.24 174.81 2kb4 h ASP 77 N 4.59 0.06 -3.99 2.44 3.58 -0.74 -3.44 116.42 118.91 2kb4 h ASP 77 Ca -0.48 -0.06 -0.54 0.00 0.42 0.00 0.00 57.03 56.37 2kb4 h ASP 77 Cb 1.21 -0.02 -0.31 0.00 1.72 0.00 0.00 39.33 41.93 2kb4 h ASP 77 CO 0.65 1.05 -0.83 0.27 -2.88 0.00 0.00 179.24 177.50 2kb4 s ILE 78 N -2.70 1.33 -0.29 2.25 -0.00 -1.19 -5.05 121.20 115.54 2kb4 s ILE 78 Ca 0.00 -0.68 -0.10 0.00 -0.00 0.00 0.00 60.65 59.88 2kb4 s ILE 78 Cb 0.10 -1.14 -0.02 0.00 -0.00 0.00 0.00 42.46 41.39 2kb4 s ILE 78 CO 0.83 0.38 0.15 -0.36 -0.00 0.00 0.00 174.94 175.95 2kb4 s PHE 79 N -0.05 3.17 -0.20 1.37 0.08 -1.26 -2.86 117.98 118.23 2kb4 s PHE 79 Ca -0.01 -0.32 -0.29 0.00 0.12 0.00 0.00 56.93 56.43 2kb4 s PHE 79 Cb -0.10 -2.35 -0.03 0.00 -0.57 0.00 0.00 43.02 39.97 2kb4 s PHE 79 CO 0.01 -0.35 1.58 -0.51 -0.10 0.00 0.00 175.22 175.86 2kb4 s LEU 80 N 1.66 3.97 -1.36 -0.37 1.02 -0.99 -4.23 118.68 118.38 2kb4 s LEU 80 Ca 0.06 1.68 -0.07 0.00 0.02 0.00 0.00 54.13 55.82 2kb4 s LEU 80 Cb -0.16 -3.53 0.09 0.00 0.02 0.00 0.00 46.19 42.61 2kb4 s LEU 80 CO 0.07 -1.17 2.40 -0.67 0.02 0.00 0.00 176.35 177.00 2kb4 n ASP 81 N 8.11 7.68 -4.66 2.29 2.03 -1.26 -4.86 116.55 125.87 2kb4 n ASP 81 Ca 0.18 -3.05 -0.26 0.00 0.52 0.00 0.00 54.79 52.19 2kb4 n ASP 81 Cb 0.45 -1.41 -0.08 0.00 -0.72 0.00 0.00 41.12 39.36 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 0.75 4.73 0.35 1.67 2.15 -1.26 -4.61 116.67 120.45 2kb4 s ASP 82 Ca 0.54 -0.45 0.18 0.00 0.43 0.00 0.00 52.55 53.25 2kb4 s ASP 82 Cb 0.17 -0.98 0.52 0.00 -0.30 0.00 0.00 42.92 42.33 2kb4 s ASP 82 CO -0.08 0.06 1.66 1.62 -0.17 0.00 0.00 175.17 178.26 2kb4 h VAL 83 N 2.31 0.85 -2.50 1.11 3.04 -2.04 -3.36 116.25 115.66 2kb4 h VAL 83 Ca -0.46 -1.70 -0.64 0.00 -1.01 0.00 0.00 66.70 62.88 2kb4 h VAL 83 Cb 1.21 2.06 -0.39 0.00 -2.01 0.00 0.00 31.29 32.17 2kb4 h VAL 83 CO 0.58 0.40 -0.34 0.41 -1.01 0.00 0.00 177.57 177.61 2kb4 n THR 84 N -3.42 2.80 -4.78 3.17 -1.04 -1.26 -5.04 114.28 104.71 2kb4 n THR 84 Ca 0.00 -5.29 -0.33 0.00 -2.04 0.00 0.00 64.05 56.39 2kb4 n THR 84 Cb 0.57 -2.13 -0.12 0.00 -1.82 0.00 0.00 70.33 66.83 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 -2.33 3.32 0.92 12.58 1.01 -1.26 -3.94 120.40 130.70 2kb4 s VAL 85 Ca 0.36 -0.62 -0.12 0.00 0.00 0.00 0.00 61.98 61.60 2kb4 s VAL 85 Cb 0.09 -2.33 0.20 0.00 0.00 0.00 0.00 36.38 34.34 2kb4 s VAL 85 CO -0.02 0.59 1.25 -0.55 0.00 0.00 0.00 175.10 176.37 2kb4 s SER 86 N -0.71 3.27 -0.11 3.32 0.15 -1.26 -4.86 113.70 113.50 2kb4 s SER 86 Ca 0.11 -0.02 -0.18 0.00 0.70 0.00 0.00 55.95 56.56 2kb4 s SER 86 Cb -0.11 -0.04 -0.16 0.00 -1.71 0.00 0.00 66.02 64.01 2kb4 s SER 86 CO 0.01 -2.61 0.55 0.03 1.20 0.00 0.00 173.24 172.42 2kb4 h ARG 87 N -1.40 -0.04 -4.26 5.44 3.08 -1.92 -2.76 114.38 112.51 2kb4 h ARG 87 Ca -0.41 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 58.91 2kb4 h ARG 87 Cb 1.23 0.01 -0.28 0.00 0.08 0.00 0.00 29.97 31.01 2kb4 h ARG 87 CO 0.34 0.51 -0.36 -0.98 -1.07 0.00 0.00 179.97 178.42 2kb4 s ARG 88 N -2.28 2.60 -0.19 0.04 1.70 -1.26 -3.35 118.95 116.21 2kb4 s ARG 88 Ca -0.12 -1.73 -0.17 0.00 -0.47 0.00 0.00 55.73 53.24 2kb4 s ARG 88 Cb -0.01 -4.00 -0.06 0.00 -0.57 0.00 0.00 34.95 30.31 2kb4 s ARG 88 CO 0.43 -1.21 -0.34 1.58 -1.08 0.00 0.00 175.30 174.68 2kb4 n HIS 89 N 4.98 0.04 -4.07 5.89 -0.00 -0.64 -3.95 115.22 117.47 2kb4 n HIS 89 Ca -0.09 0.02 -0.12 0.00 0.46 0.00 0.00 57.72 57.99 2kb4 n HIS 89 Cb 0.41 -0.55 -0.11 0.00 -0.12 0.00 0.00 29.99 29.62 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 -2.88 0.58 -0.04 1.57 0.00 -0.67 -2.40 121.76 117.93 2kb4 s ALA 90 Ca -0.29 -0.89 0.01 0.00 0.00 0.00 0.00 51.96 50.79 2kb4 s ALA 90 Cb 0.05 0.10 0.02 0.00 0.00 0.00 0.00 23.12 23.29 2kb4 s ALA 90 CO 0.43 -0.11 -0.02 -2.00 0.00 0.00 0.00 175.76 174.05 2kb4 s GLU 91 N -2.18 0.64 -0.32 0.00 2.12 -0.15 -0.22 118.70 118.59 2kb4 s GLU 91 Ca -0.05 -0.02 -0.11 0.00 0.36 0.00 0.00 54.97 55.14 2kb4 s GLU 91 Cb -0.06 -0.75 -0.02 0.00 0.26 0.00 0.00 34.13 33.56 2kb4 s GLU 91 CO -0.02 -0.13 0.20 -0.06 -0.54 0.00 0.00 175.26 174.71 2kb4 s PHE 92 N 1.10 3.21 -0.08 5.30 0.40 0.89 -0.26 117.98 128.53 2kb4 s PHE 92 Ca -0.08 -0.33 -0.01 0.00 -0.60 0.00 0.00 56.93 55.91 2kb4 s PHE 92 Cb -0.14 -2.42 -0.03 0.00 0.51 0.00 0.00 43.02 40.95 2kb4 s PHE 92 CO -0.01 -0.38 -0.03 1.03 0.70 0.00 0.00 175.22 176.53 2kb4 s ARG 93 N 1.68 2.89 -0.23 0.44 1.81 -0.02 -0.92 118.95 124.61 2kb4 s ARG 93 Ca 0.06 -0.46 -0.01 0.00 -1.72 0.00 0.00 55.73 53.59 2kb4 s ARG 93 Cb -0.17 -2.71 0.02 0.00 -0.45 0.00 0.00 34.95 31.64 2kb4 s ARG 93 CO 0.09 0.69 -0.09 0.96 -0.68 0.00 0.00 175.30 176.26 2kb4 s ILE 94 N -0.86 2.74 0.03 1.52 -5.25 -0.94 -1.46 121.20 116.98 2kb4 s ILE 94 Ca 0.13 -0.94 0.03 0.00 -0.99 0.00 0.00 60.65 58.88 2kb4 s ILE 94 Cb -0.11 -2.32 -0.04 0.00 2.95 0.00 0.00 42.46 42.94 2kb4 s ILE 94 CO 0.02 0.31 -0.02 0.21 -1.79 0.00 0.00 174.94 173.67 2kb4 s ASN 95 N 1.33 4.96 0.43 4.36 3.84 -0.85 -4.90 114.94 124.11 2kb4 s ASN 95 Ca 0.02 -0.10 0.28 0.00 0.21 0.00 0.00 52.86 53.28 2kb4 s ASN 95 Cb -0.16 -1.22 1.54 0.00 -0.55 0.00 0.00 41.25 40.86 2kb4 s ASN 95 CO -0.06 0.25 1.86 1.05 -2.79 0.00 0.00 177.10 177.41 2kb4 h GLU 96 N 4.12 0.00 0.05 0.43 4.11 -1.98 -1.96 114.58 119.35 2kb4 h GLU 96 Ca -0.48 0.00 -0.23 0.00 0.07 0.00 0.00 59.36 58.72 2kb4 h GLU 96 Cb 1.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 2kb4 h GLU 96 CO 0.57 0.00 -1.21 0.78 0.07 0.00 0.00 179.01 179.22 2kb4 h GLY 97 N 0.00 0.11 -2.75 1.06 0.00 -1.94 -3.47 103.07 96.08 2kb4 h GLY 97 Ca 0.00 -0.29 0.28 0.00 0.00 0.00 0.00 47.33 47.32 2kb4 h GLY 97 CO 0.00 0.26 0.74 1.85 0.00 0.00 0.00 176.54 179.39 2kb4 s GLU 98 N -2.40 0.58 -0.16 4.80 2.12 -0.74 -3.74 118.70 119.16 2kb4 s GLU 98 Ca -0.24 -0.31 -0.06 0.00 0.36 0.00 0.00 54.97 54.71 2kb4 s GLU 98 Cb 0.04 0.20 -0.04 0.00 0.26 0.00 0.00 34.13 34.60 2kb4 s GLU 98 CO 0.67 -0.27 0.05 -0.06 -0.54 0.00 0.00 175.26 175.12 2kb4 s PHE 99 N -2.63 3.24 -0.02 5.30 0.08 -1.26 -2.01 117.98 120.67 2kb4 s PHE 99 Ca 0.13 0.07 0.03 0.00 0.12 0.00 0.00 56.93 57.28 2kb4 s PHE 99 Cb 0.03 -2.02 -0.00 0.00 -0.57 0.00 0.00 43.02 40.45 2kb4 s PHE 99 CO -0.03 0.21 -0.10 -1.83 -0.10 0.00 0.00 175.22 173.37 2kb4 s GLU 100 N 0.13 0.94 -0.19 0.44 1.03 -0.53 -0.69 118.70 119.84 2kb4 s GLU 100 Ca 0.04 -0.36 -0.08 0.00 0.03 0.00 0.00 54.97 54.60 2kb4 s GLU 100 Cb -0.12 -0.89 -0.04 0.00 -0.80 0.00 0.00 34.13 32.27 2kb4 s GLU 100 CO 0.01 0.18 0.08 0.08 -1.33 0.00 0.00 175.26 174.29 2kb4 s VAL 101 N -0.06 4.98 -0.06 1.83 1.01 0.13 -0.84 120.40 127.39 2kb4 s VAL 101 Ca 0.01 0.03 0.05 0.00 0.00 0.00 0.00 61.98 62.08 2kb4 s VAL 101 Cb -0.06 -3.25 -0.01 0.00 0.00 0.00 0.00 36.38 33.05 2kb4 s VAL 101 CO 0.00 0.45 -0.23 -0.69 0.00 0.00 0.00 175.10 174.63 2kb4 s VAL 102 N 0.39 2.27 -0.46 2.92 1.01 0.64 -0.07 120.40 127.09 2kb4 s VAL 102 Ca 0.05 -0.99 -0.27 0.00 0.00 0.00 0.00 61.98 60.76 2kb4 s VAL 102 Cb -0.12 -1.84 0.03 0.00 0.00 0.00 0.00 36.38 34.45 2kb4 s VAL 102 CO -0.00 0.57 1.02 -0.62 0.00 0.00 0.00 175.10 176.07 2kb4 s ASP 103 N -0.25 6.58 0.00 3.32 2.15 -0.29 -0.98 116.67 127.22 2kb4 s ASP 103 Ca -0.01 0.33 0.23 0.00 0.43 0.00 0.00 52.55 53.53 2kb4 s ASP 103 Cb -0.13 -2.50 0.51 0.00 -0.30 0.00 0.00 42.92 40.50 2kb4 s ASP 103 CO 0.03 -1.12 1.45 1.33 -0.17 0.00 0.00 175.17 176.69 2kb4 n VAL 104 N 6.55 0.70 0.00 1.11 0.24 -1.17 -4.81 118.33 120.96 2kb4 n VAL 104 Ca 0.09 -0.85 0.00 0.00 -2.04 0.00 0.00 64.34 61.54 2kb4 n VAL 104 Cb 0.49 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 1.54 0.19 3.70 7.63 0.00 -1.19 -4.84 105.19 112.21 2kb4 n GLY 105 Ca 0.21 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 3.89 0.06 1.61 7.64 -1.01 -4.41 113.62 121.40 2kb4 n SER 106 Ca 0.00 1.04 -0.13 0.00 1.01 0.00 0.00 58.87 60.79 2kb4 n SER 106 Cb 0.00 -1.54 -0.08 0.00 -1.01 0.00 0.00 64.21 61.57 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 7.29 -0.10 0.05 -3.43 6.46 -1.87 -3.35 115.31 120.36 2kb4 h LEU 107 Ca -0.44 -0.21 -0.31 0.00 -0.12 0.00 0.00 57.88 56.79 2kb4 h LEU 107 Cb 1.22 0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 41.14 2kb4 h LEU 107 CO 0.95 0.16 -1.74 -0.46 -0.62 0.00 0.00 178.44 176.72 2kb4 n ASN 108 N -5.03 1.98 0.00 1.25 0.23 -1.25 -5.04 115.26 107.40 2kb4 n ASN 108 Ca -0.08 0.30 0.00 0.00 -0.53 0.00 0.00 54.58 54.27 2kb4 n ASN 108 Cb 0.17 -0.88 0.00 0.00 -2.08 0.00 0.00 39.78 36.99 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2kb4 n GLY 109 N 1.68 4.78 3.47 4.83 0.00 -1.26 -5.02 105.19 113.66 2kb4 n GLY 109 Ca -0.35 -0.80 -0.37 0.00 0.00 0.00 0.00 46.02 44.51 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 -0.96 4.46 -0.03 2.61 2.01 -1.26 -1.54 115.64 120.92 2kb4 s THR 110 Ca 0.00 -0.12 0.06 0.00 0.31 0.00 0.00 61.69 61.94 2kb4 s THR 110 Cb 0.00 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.41 2kb4 s THR 110 CO 0.00 0.33 -0.23 -0.31 -0.69 0.00 0.00 174.62 173.72 2kb4 s TYR 111 N 1.62 2.14 -0.32 4.92 2.02 0.19 -3.70 117.35 124.21 2kb4 s TYR 111 Ca 0.06 -0.51 -0.13 0.00 -0.37 0.00 0.00 57.07 56.13 2kb4 s TYR 111 Cb -0.15 -1.39 -0.03 0.00 -0.40 0.00 0.00 41.96 39.99 2kb4 s TYR 111 CO 0.05 -0.11 0.26 0.08 -1.57 0.00 0.00 175.55 174.25 2kb4 s VAL 112 N -0.35 5.26 0.00 0.71 1.01 0.12 0.59 120.40 127.74 2kb4 s VAL 112 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 61.98 62.02 2kb4 s VAL 112 Cb -0.11 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.59 2kb4 s VAL 112 CO 0.01 0.07 0.00 -3.20 0.00 0.00 0.00 175.10 171.97 2kb4 n ASN 113 N 5.16 0.00 0.00 3.32 2.85 0.56 -0.80 115.26 126.35 2kb4 n ASN 113 Ca -0.12 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.35 2kb4 n ASN 113 Cb 0.50 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.52 2kb4 n ASN 113 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 2kb4 n ARG 114 N 0.00 0.00 -4.85 1.20 0.63 -1.26 -4.77 116.66 107.61 2kb4 n ARG 114 Ca 0.00 -0.04 -0.33 0.00 -0.92 0.00 0.00 57.85 56.56 2kb4 n ARG 114 Cb 0.00 -0.06 -0.14 0.00 0.45 0.00 0.00 32.46 32.71 2kb4 n ARG 114 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2kb4 s GLU 115 N 0.00 3.19 0.14 -0.14 2.02 0.02 -4.98 118.70 118.95 2kb4 s GLU 115 Ca 0.00 -0.71 -0.31 0.00 0.02 0.00 0.00 54.97 53.97 2kb4 s GLU 115 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 34.13 31.60 2kb4 s GLU 115 CO 0.00 0.28 1.38 -1.25 0.02 0.00 0.00 175.26 175.69 2kb4 s PRO 116 N 0.16 4.33 0.05 0.39 0.04 -1.26 0.11 135.00 138.82 2kb4 s PRO 116 Ca -0.08 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.14 2kb4 s PRO 116 Cb -0.15 -3.22 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2kb4 s PRO 116 CO 0.05 -0.39 -0.24 1.03 0.04 0.00 0.00 177.00 177.49 2kb4 s ARG 117 N 0.72 1.57 -0.07 4.56 1.81 -1.24 -4.89 118.95 121.40 2kb4 s ARG 117 Ca 0.62 -1.05 -0.24 0.00 -1.72 0.00 0.00 55.73 53.35 2kb4 s ARG 117 Cb -0.37 -1.74 -0.28 0.00 -0.45 0.00 0.00 34.95 32.11 2kb4 s ARG 117 CO 0.33 0.44 0.91 -0.97 -0.68 0.00 0.00 175.30 175.33 2kb4 h ASN 118 N 4.75 0.30 -4.18 0.23 -0.00 -1.94 -3.43 115.58 111.32 2kb4 h ASN 118 Ca -0.45 -0.91 -0.25 0.00 -0.00 0.00 0.00 56.30 54.69 2kb4 h ASN 118 Cb 1.15 -0.10 -0.26 0.00 -0.00 0.00 0.00 38.32 39.12 2kb4 h ASN 118 CO 0.43 1.19 -0.73 0.00 -0.00 0.00 0.00 177.43 178.33 2kb4 s ALA 119 N -2.59 0.22 0.01 1.57 0.00 -1.26 -1.13 121.76 118.58 2kb4 s ALA 119 Ca -0.15 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.56 2kb4 s ALA 119 Cb 0.00 0.01 -0.01 0.00 0.00 0.00 0.00 23.12 23.11 2kb4 s ALA 119 CO 0.78 -0.01 -0.14 -1.14 0.00 0.00 0.00 175.76 175.25 2kb4 s GLN 120 N -0.56 1.05 -0.28 0.00 -0.44 0.90 -4.99 119.66 115.34 2kb4 s GLN 120 Ca -0.04 -0.57 -0.09 0.00 -2.50 0.00 0.00 55.36 52.15 2kb4 s GLN 120 Cb -0.04 -1.03 -0.03 0.00 -1.64 0.00 0.00 33.01 30.27 2kb4 s GLN 120 CO -0.00 0.27 0.14 0.54 0.50 0.00 0.00 175.29 176.74 2kb4 s VAL 121 N -0.49 4.80 -0.47 1.34 0.11 -1.26 0.19 120.40 124.62 2kb4 s VAL 121 Ca 0.04 -0.08 -0.43 0.00 -2.93 0.00 0.00 61.98 58.58 2kb4 s VAL 121 Cb -0.06 -3.31 -0.18 0.00 -1.53 0.00 0.00 36.38 31.30 2kb4 s VAL 121 CO 0.00 0.24 2.05 0.23 -3.33 0.00 0.00 175.10 174.29 2kb4 n MET 122 N 5.00 0.20 -4.90 1.54 0.00 0.14 -4.90 117.12 114.19 2kb4 n MET 122 Ca -0.15 0.06 -0.33 0.00 0.00 0.00 0.00 57.70 57.28 2kb4 n MET 122 Cb 0.51 -1.66 -0.14 0.00 0.00 0.00 0.00 33.22 31.94 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 5.48 2.78 -0.05 0.03 0.74 -1.26 -4.90 119.66 122.47 2kb4 s GLN 123 Ca 1.15 -0.72 -0.30 0.00 0.05 0.00 0.00 55.36 55.55 2kb4 s GLN 123 Cb -1.39 -2.43 -0.02 0.00 1.10 0.00 0.00 33.01 30.26 2kb4 s GLN 123 CO 0.66 0.47 1.02 -0.08 -0.55 0.00 0.00 175.29 176.81 2kb4 s THR 124 N -0.32 4.75 0.00 -0.34 -1.32 -1.26 -3.82 115.64 113.32 2kb4 s THR 124 Ca 0.03 1.99 0.00 0.00 -1.21 0.00 0.00 61.69 62.50 2kb4 s THR 124 Cb -0.13 -4.28 0.00 0.00 -1.51 0.00 0.00 72.50 66.59 2kb4 s THR 124 CO 0.02 0.08 0.00 0.61 -2.21 0.00 0.00 174.62 173.12 2kb4 n GLY 125 N 3.04 0.63 3.10 6.08 0.00 0.14 -4.87 105.19 113.30 2kb4 n GLY 125 Ca 0.08 -0.78 -0.10 0.00 0.00 0.00 0.00 46.02 45.22 2kb4 n GLY 125 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kb4 s ASP 126 N -2.95 0.82 -0.06 1.61 2.15 -1.17 -4.98 116.67 112.08 2kb4 s ASP 126 Ca 0.00 -0.81 0.05 0.00 0.43 0.00 0.00 52.55 52.23 2kb4 s ASP 126 Cb 0.00 0.10 -0.01 0.00 -0.30 0.00 0.00 42.92 42.71 2kb4 s ASP 126 CO 0.00 -0.39 -0.23 -1.83 -0.17 0.00 0.00 175.17 172.55 2kb4 s GLU 127 N -2.88 2.60 -0.14 4.34 -1.05 -1.26 -0.91 118.70 119.40 2kb4 s GLU 127 Ca 0.01 -0.86 -0.02 0.00 -0.15 0.00 0.00 54.97 53.95 2kb4 s GLU 127 Cb -0.01 -2.22 -0.02 0.00 -0.44 0.00 0.00 34.13 31.44 2kb4 s GLU 127 CO -0.04 0.40 -0.08 0.42 0.95 0.00 0.00 175.26 176.91 2kb4 s ILE 128 N -0.20 3.51 -0.41 1.83 1.01 0.12 -0.32 121.20 126.73 2kb4 s ILE 128 Ca -0.02 -0.50 -0.20 0.00 0.00 0.00 0.00 60.65 59.93 2kb4 s ILE 128 Cb -0.13 -2.51 0.02 0.00 0.01 0.00 0.00 42.46 39.84 2kb4 s ILE 128 CO 0.03 0.51 0.62 -1.58 0.00 0.00 0.00 174.94 174.53 2kb4 s GLN 129 N 0.30 3.39 -0.63 2.79 0.74 0.20 -0.30 119.66 126.15 2kb4 s GLN 129 Ca -0.07 -0.27 -0.19 0.00 0.05 0.00 0.00 55.36 54.88 2kb4 s GLN 129 Cb -0.15 -3.91 0.11 0.00 1.10 0.00 0.00 33.01 30.16 2kb4 s GLN 129 CO 0.04 -0.91 0.76 0.96 -0.55 0.00 0.00 175.29 175.59 2kb4 s ILE 130 N 2.74 4.80 0.00 -2.34 -4.36 0.13 -0.64 121.20 121.53 2kb4 s ILE 130 Ca 0.22 -1.04 0.00 0.00 -0.26 0.00 0.00 60.65 59.57 2kb4 s ILE 130 Cb -0.14 -4.53 0.00 0.00 1.25 0.00 0.00 42.46 39.04 2kb4 s ILE 130 CO 0.17 -1.18 0.00 0.61 0.24 0.00 0.00 174.94 174.78 2kb4 n GLY 131 N 5.24 1.91 0.00 6.27 0.00 -0.59 -2.10 105.19 115.92 2kb4 n GLY 131 Ca -0.06 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.81 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 0.91 -4.25 1.61 4.76 -1.26 -4.59 118.16 115.34 2kb4 n LYS 132 Ca 0.00 -0.89 -0.28 0.00 -2.87 0.00 0.00 58.31 54.27 2kb4 n LYS 132 Cb 0.00 -0.91 -0.09 0.00 -1.84 0.00 0.00 35.03 32.19 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 -0.43 2.72 -0.15 2.13 0.08 -0.89 -5.03 117.98 116.41 2kb4 s PHE 133 Ca 0.00 -0.18 -0.01 0.00 0.12 0.00 0.00 56.93 56.86 2kb4 s PHE 133 Cb 0.00 -1.36 -0.01 0.00 -0.57 0.00 0.00 43.02 41.07 2kb4 s PHE 133 CO 0.00 0.48 -0.11 1.03 -0.10 0.00 0.00 175.22 176.52 2kb4 s ARG 134 N -2.61 3.39 -0.08 0.44 0.52 -0.03 0.17 118.95 120.75 2kb4 s ARG 134 Ca 0.24 -0.67 0.05 0.00 -0.52 0.00 0.00 55.73 54.83 2kb4 s ARG 134 Cb -0.10 -2.70 -0.01 0.00 0.52 0.00 0.00 34.95 32.66 2kb4 s ARG 134 CO 0.15 0.15 -0.23 -1.17 0.02 0.00 0.00 175.30 174.22 2kb4 s LEU 135 N 0.53 2.14 -0.14 2.53 2.96 0.58 -1.13 118.68 126.16 2kb4 s LEU 135 Ca -0.08 -0.51 -0.03 0.00 -0.22 0.00 0.00 54.13 53.29 2kb4 s LEU 135 Cb -0.15 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 45.09 2kb4 s LEU 135 CO 0.04 0.20 -0.02 0.54 -1.32 0.00 0.00 176.35 175.79 2kb4 s VAL 136 N 0.09 4.05 -0.14 1.68 0.11 0.75 0.15 120.40 127.09 2kb4 s VAL 136 Ca -0.11 -0.31 -0.03 0.00 -2.93 0.00 0.00 61.98 58.60 2kb4 s VAL 136 Cb -0.16 -2.76 -0.03 0.00 -1.53 0.00 0.00 36.38 31.90 2kb4 s VAL 136 CO 0.06 0.52 -0.04 0.12 -3.33 0.00 0.00 175.10 172.43 2kb4 s PHE 137 N 0.07 3.03 -0.12 1.54 2.19 -0.09 -0.50 117.98 124.09 2kb4 s PHE 137 Ca 0.01 -0.24 0.01 0.00 0.33 0.00 0.00 56.93 57.04 2kb4 s PHE 137 Cb -0.13 -1.93 0.02 0.00 -1.31 0.00 0.00 43.02 39.67 2kb4 s PHE 137 CO 0.02 0.03 -0.16 -0.51 1.83 0.00 0.00 175.22 176.43 2kb4 s LEU 138 N 0.19 1.76 -1.08 6.12 1.02 -0.14 0.29 118.68 126.83 2kb4 s LEU 138 Ca -0.02 -0.46 -0.13 0.00 0.02 0.00 0.00 54.13 53.54 2kb4 s LEU 138 Cb -0.14 -1.15 0.21 0.00 0.02 0.00 0.00 46.19 45.13 2kb4 s LEU 138 CO 0.03 0.01 1.19 0.00 0.02 0.00 0.00 176.35 177.59 2kb4 s ALA 139 N 1.08 4.18 -0.37 4.21 0.00 -1.26 -1.70 121.76 127.90 2kb4 s ALA 139 Ca -0.04 -3.44 0.02 0.00 0.00 0.00 0.00 51.96 48.49 2kb4 s ALA 139 Cb -0.14 -3.84 0.11 0.00 0.00 0.00 0.00 23.12 19.25 2kb4 s ALA 139 CO -0.04 -2.54 0.13 0.20 0.00 0.00 0.00 175.76 173.52 2kb4 s GLY 140 N 2.32 1.57 -0.26 0.00 0.00 -1.26 -4.93 107.32 104.76 2kb4 s GLY 140 Ca 0.34 -2.26 -0.38 0.00 0.00 0.00 0.00 44.72 42.42 2kb4 s GLY 140 CO -0.05 1.36 1.90 -1.05 0.00 0.00 0.00 173.10 175.25 2kb4 n PRO 141 N 4.24 1.34 -3.72 2.90 -0.02 -1.25 -4.50 135.00 133.99 2kb4 n PRO 141 Ca 0.03 0.47 -0.38 0.00 -2.02 0.00 0.00 63.50 61.59 2kb4 n PRO 141 Cb 0.39 -2.30 -0.11 0.00 -0.02 0.00 0.00 33.50 31.46 2kb4 n PRO 141 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2kb4 s ALA 142 N 4.66 3.13 0.00 3.55 0.00 0.45 -4.54 121.76 129.01 2kb4 s ALA 142 Ca 1.00 -2.07 0.00 0.00 0.00 0.00 0.00 51.96 50.89 2kb4 s ALA 142 Cb -0.95 -2.40 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2kb4 s ALA 142 CO 0.59 -1.55 0.47 -1.91 0.00 0.00 0.00 175.76 173.36