#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 -4.35 3.17 0.02 -2.15 -3.49 113.55 106.75 2kb4 h SER 2 Ca 0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kb4 h SER 2 Cb 0.00 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.46 2kb4 h SER 2 CO 0.00 0.73 -1.06 -0.67 -1.14 0.00 0.00 176.83 174.70 2kb4 n ASP 3 N -3.67 -1.92 -4.33 3.07 2.03 -1.26 -5.06 116.55 105.42 2kb4 n ASP 3 Ca -0.01 1.01 -0.32 0.00 0.52 0.00 0.00 54.79 55.99 2kb4 n ASP 3 Cb 0.71 -3.98 -0.16 0.00 -0.72 0.00 0.00 41.12 36.97 2kb4 n ASP 3 CO 0.00 0.00 0.00 0.54 -1.92 0.00 0.00 177.20 175.82 2kb4 s ASN 4 N -0.46 3.28 0.07 1.67 4.22 -1.26 -5.13 114.94 117.33 2kb4 s ASN 4 Ca -0.17 -0.43 -0.14 0.00 -2.14 0.00 0.00 52.86 49.98 2kb4 s ASN 4 Cb 0.01 -0.65 0.02 0.00 1.28 0.00 0.00 41.25 41.91 2kb4 s ASN 4 CO 0.46 0.29 0.33 0.21 -2.04 0.00 0.00 177.10 176.35 2kb4 s ASN 5 N -0.44 -0.14 -0.50 3.54 2.47 -1.26 -5.10 114.94 113.50 2kb4 s ASN 5 Ca 0.05 -0.25 -0.28 0.00 0.42 0.00 0.00 52.86 52.80 2kb4 s ASN 5 Cb -0.12 0.39 0.00 0.00 -1.45 0.00 0.00 41.25 40.08 2kb4 s ASN 5 CO 0.01 -0.69 1.54 -0.83 -3.72 0.00 0.00 177.10 173.40 2kb4 s GLY 6 N -2.32 0.82 -0.21 1.21 0.00 -1.26 -4.98 107.32 100.58 2kb4 s GLY 6 Ca -0.02 -0.42 -0.12 0.00 0.00 0.00 0.00 44.72 44.16 2kb4 s GLY 6 CO -0.06 2.95 0.23 -1.08 0.00 0.00 0.00 173.10 175.15 2kb4 s THR 7 N 6.48 5.32 0.11 0.90 -1.32 -1.26 -5.05 115.64 120.83 2kb4 s THR 7 Ca 0.60 0.37 -0.31 0.00 -1.21 0.00 0.00 61.69 61.14 2kb4 s THR 7 Cb -0.13 -3.57 -0.09 0.00 -1.51 0.00 0.00 72.50 67.20 2kb4 s THR 7 CO 0.27 0.35 1.52 -2.16 -2.21 0.00 0.00 174.62 172.39 2kb4 s PRO 8 N 0.91 4.25 -0.08 7.08 0.04 -1.26 -4.99 135.00 140.94 2kb4 s PRO 8 Ca 0.12 2.24 -0.19 0.00 0.04 0.00 0.00 61.00 63.21 2kb4 s PRO 8 Cb -0.13 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 31.04 2kb4 s PRO 8 CO 0.04 -0.59 0.52 -1.21 0.04 0.00 0.00 177.00 175.80 2kb4 s GLU 9 N 1.61 4.32 0.07 4.56 2.02 -1.26 -4.99 118.70 125.03 2kb4 s GLU 9 Ca 0.69 0.55 -0.37 0.00 0.02 0.00 0.00 54.97 55.86 2kb4 s GLU 9 Cb -0.40 -3.40 -0.16 0.00 0.10 0.00 0.00 34.13 30.27 2kb4 s GLU 9 CO 0.31 0.23 1.40 -2.30 0.02 0.00 0.00 175.26 174.91 2kb4 n PRO 10 N 3.37 1.28 -3.75 0.39 -0.02 -1.26 -4.96 135.00 130.05 2kb4 n PRO 10 Ca -0.07 0.46 -0.38 0.00 -2.02 0.00 0.00 63.50 61.50 2kb4 n PRO 10 Cb 0.52 -2.13 -0.12 0.00 -0.02 0.00 0.00 33.50 31.75 2kb4 n PRO 10 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 2kb4 s GLN 11 N 0.74 2.52 -0.32 -0.52 -0.21 -1.26 -5.07 119.66 115.54 2kb4 s GLN 11 Ca 0.85 -1.31 -0.02 0.00 0.02 0.00 0.00 55.36 54.90 2kb4 s GLN 11 Cb -0.92 -3.49 0.06 0.00 1.00 0.00 0.00 33.01 29.66 2kb4 s GLN 11 CO 0.47 -0.76 0.04 0.54 -2.12 0.00 0.00 175.29 173.46 2kb4 s VAL 12 N 1.36 3.01 0.00 1.09 0.11 -1.26 -5.05 120.40 119.66 2kb4 s VAL 12 Ca -0.00 -1.56 0.00 0.00 -2.93 0.00 0.00 61.98 57.48 2kb4 s VAL 12 Cb -0.21 -2.82 -0.00 0.00 -1.53 0.00 0.00 36.38 31.82 2kb4 s VAL 12 CO 0.01 -0.25 -0.01 -0.70 -3.33 0.00 0.00 175.10 170.83 2kb4 s GLU 13 N 1.21 0.07 -0.33 1.54 -6.30 -1.26 -5.12 118.70 108.51 2kb4 s GLU 13 Ca -0.02 -0.08 0.03 0.00 -2.50 0.00 0.00 54.97 52.40 2kb4 s GLU 13 Cb -0.20 -0.03 0.16 0.00 0.00 0.00 0.00 34.13 34.05 2kb4 s GLU 13 CO -0.02 0.01 0.40 0.99 0.02 0.00 0.00 175.26 176.66 2kb4 s THR 14 N -0.15 -0.53 -0.37 -1.70 2.01 -1.26 -5.10 115.64 108.54 2kb4 s THR 14 Ca -0.01 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.41 2kb4 s THR 14 Cb -0.01 -0.78 0.08 0.00 0.01 0.00 0.00 72.50 71.80 2kb4 s THR 14 CO -0.00 -0.39 0.13 0.42 -0.69 0.00 0.00 174.62 174.08 2kb4 s THR 15 N 2.05 3.23 -0.30 -0.82 -4.23 -1.26 -5.02 115.64 109.30 2kb4 s THR 15 Ca 0.13 -1.75 -0.09 0.00 -1.18 0.00 0.00 61.69 58.80 2kb4 s THR 15 Cb -0.13 -3.07 0.17 0.00 1.34 0.00 0.00 72.50 70.81 2kb4 s THR 15 CO -0.19 -0.45 0.79 -0.55 -0.54 0.00 0.00 174.62 173.68 2kb4 s SER 16 N 1.59 -0.95 -0.01 3.99 0.15 -1.26 -5.17 113.70 112.04 2kb4 s SER 16 Ca 0.03 0.94 -0.02 0.00 0.70 0.00 0.00 55.95 57.60 2kb4 s SER 16 Cb -0.21 1.94 -0.00 0.00 -1.71 0.00 0.00 66.02 66.03 2kb4 s SER 16 CO -0.03 -0.18 0.05 0.54 1.20 0.00 0.00 173.24 174.82 2kb4 s VAL 17 N 2.78 0.05 0.16 4.45 0.11 -1.26 -5.16 120.40 121.53 2kb4 s VAL 17 Ca 0.04 -0.39 0.06 0.00 -2.93 0.00 0.00 61.98 58.76 2kb4 s VAL 17 Cb -0.11 -0.20 -0.04 0.00 -1.53 0.00 0.00 36.38 34.49 2kb4 s VAL 17 CO -0.18 -0.22 -0.13 -0.36 -3.33 0.00 0.00 175.10 170.88 2kb4 s PHE 18 N -0.66 1.48 -0.02 1.54 0.08 -1.26 -5.16 117.98 113.97 2kb4 s PHE 18 Ca -0.07 -0.62 0.05 0.00 0.12 0.00 0.00 56.93 56.40 2kb4 s PHE 18 Cb -0.05 -0.73 -0.01 0.00 -0.57 0.00 0.00 43.02 41.67 2kb4 s PHE 18 CO 0.00 0.20 -0.16 -0.98 -0.10 0.00 0.00 175.22 174.18 2kb4 s ARG 19 N -3.33 1.44 -0.70 0.44 1.70 -1.26 -5.03 118.95 112.20 2kb4 s ARG 19 Ca 0.16 -0.57 -0.02 0.00 -0.47 0.00 0.00 55.73 54.83 2kb4 s ARG 19 Cb -0.01 -1.33 0.43 0.00 -0.57 0.00 0.00 34.95 33.46 2kb4 s ARG 19 CO 0.04 0.30 2.04 0.00 -1.08 0.00 0.00 175.30 176.59 2kb4 n ALA 20 N 2.88 6.38 0.37 7.88 0.00 -1.26 -4.63 120.51 132.14 2kb4 n ALA 20 Ca -0.16 -3.60 0.13 0.00 0.00 0.00 0.00 53.44 49.81 2kb4 n ALA 20 Cb 0.54 -1.82 0.53 0.00 0.00 0.00 0.00 19.45 18.70 2kb4 n ALA 20 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2kb4 h ASP 21 N 2.20 0.00 -4.26 0.00 2.03 -2.05 -3.43 116.42 110.91 2kb4 h ASP 21 Ca 0.60 0.00 -0.49 0.00 -0.73 0.00 0.00 57.03 56.41 2kb4 h ASP 21 Cb 0.65 0.00 0.04 0.00 -0.83 0.00 0.00 39.33 39.19 2kb4 h ASP 21 CO 1.56 0.00 0.39 -0.22 -1.03 0.00 0.00 179.24 179.94 2kb4 s LEU 22 N -4.83 3.43 -0.35 0.15 2.96 -1.26 -4.03 118.68 114.74 2kb4 s LEU 22 Ca 0.04 1.54 -0.01 0.00 -0.22 0.00 0.00 54.13 55.48 2kb4 s LEU 22 Cb 0.09 -4.50 0.00 0.00 0.50 0.00 0.00 46.19 42.29 2kb4 s LEU 22 CO 0.42 -0.80 0.12 0.18 -1.32 0.00 0.00 176.35 174.96 2kb4 n LEU 23 N -2.16 -1.73 -4.59 -0.68 4.32 -1.26 -5.01 117.00 105.89 2kb4 n LEU 23 Ca 0.07 -0.06 -0.42 0.00 -0.02 0.00 0.00 56.01 55.58 2kb4 n LEU 23 Cb 0.54 -1.06 -0.05 0.00 -1.62 0.00 0.00 43.42 41.23 2kb4 n LEU 23 CO 0.51 0.04 0.53 -0.75 -1.22 0.00 0.00 177.39 176.51 2kb4 s LYS 24 N -4.73 3.83 0.46 3.23 2.36 -1.26 -5.03 119.74 118.60 2kb4 s LYS 24 Ca 0.06 0.36 0.05 0.00 -2.55 0.00 0.00 55.97 53.90 2kb4 s LYS 24 Cb -0.03 -3.77 0.05 0.00 -1.05 0.00 0.00 37.83 33.03 2kb4 s LYS 24 CO 0.08 -0.74 0.45 0.39 1.55 0.00 0.00 175.35 177.07 2kb4 n GLU 25 N 6.23 0.77 -3.81 4.03 -0.58 -1.26 -5.15 120.64 120.87 2kb4 n GLU 25 Ca 0.02 -2.73 -0.12 0.00 -0.42 0.00 0.00 57.16 53.91 2kb4 n GLU 25 Cb 0.48 0.13 -0.12 0.00 -0.57 0.00 0.00 31.44 31.36 2kb4 n GLU 25 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kb4 s MET 26 N -3.96 0.20 0.14 3.49 0.23 -1.26 -5.13 119.30 113.01 2kb4 s MET 26 Ca 0.34 0.24 -0.30 0.00 -1.03 0.00 0.00 55.69 54.94 2kb4 s MET 26 Cb -0.03 0.09 -0.07 0.00 -1.53 0.00 0.00 34.83 33.30 2kb4 s MET 26 CO 0.22 -0.03 1.02 -2.00 -2.03 0.00 0.00 175.02 172.20 2kb4 s GLU 27 N 0.12 4.66 0.55 3.16 2.56 -1.26 -5.01 118.70 123.47 2kb4 s GLU 27 Ca -0.00 1.57 -0.15 0.00 0.00 0.00 0.00 54.97 56.38 2kb4 s GLU 27 Cb -0.01 -3.33 -0.06 0.00 2.00 0.00 0.00 34.13 32.72 2kb4 s GLU 27 CO 0.00 0.16 1.01 -1.12 -0.56 0.00 0.00 175.26 174.74 2kb4 s SER 28 N -0.05 6.40 0.15 -1.70 0.01 -1.26 -5.05 113.70 112.19 2kb4 s SER 28 Ca 0.48 1.58 -0.07 0.00 1.31 0.00 0.00 55.95 59.25 2kb4 s SER 28 Cb -0.26 -2.50 -0.06 0.00 0.21 0.00 0.00 66.02 63.41 2kb4 s SER 28 CO 0.32 -0.75 0.42 -0.44 0.41 0.00 0.00 173.24 173.20 2kb4 s SER 29 N -3.27 6.55 0.43 2.44 0.01 -1.26 -5.05 113.70 113.55 2kb4 s SER 29 Ca 0.59 0.70 0.04 0.00 1.31 0.00 0.00 55.95 58.59 2kb4 s SER 29 Cb -0.11 -2.14 0.04 0.00 0.21 0.00 0.00 66.02 64.02 2kb4 s SER 29 CO 0.37 0.05 0.33 1.07 0.41 0.00 0.00 173.24 175.47 2kb4 n THR 30 N 0.22 0.00 -4.45 1.44 5.66 -1.26 -4.97 114.28 110.92 2kb4 n THR 30 Ca -0.03 -1.68 -0.31 0.00 -3.05 0.00 0.00 64.05 58.99 2kb4 n THR 30 Cb 0.52 -0.15 -0.05 0.00 -1.55 0.00 0.00 70.33 69.10 2kb4 n THR 30 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 2kb4 s GLY 31 N -3.64 2.81 0.22 1.09 0.00 -1.26 -4.37 107.32 102.17 2kb4 s GLY 31 Ca 0.25 -0.64 -0.30 0.00 0.00 0.00 0.00 44.72 44.03 2kb4 s GLY 31 CO 0.16 -2.11 1.05 -1.59 0.00 0.00 0.00 173.10 170.60 2kb4 s THR 32 N -2.84 3.85 0.32 0.90 2.01 -1.26 -5.02 115.64 113.58 2kb4 s THR 32 Ca 0.15 1.74 -0.27 0.00 0.31 0.00 0.00 61.69 63.62 2kb4 s THR 32 Cb 0.00 -4.11 -0.10 0.00 0.01 0.00 0.00 72.50 68.31 2kb4 s THR 32 CO 0.09 0.37 0.98 0.00 -0.69 0.00 0.00 174.62 175.37 2kb4 s ALA 33 N -0.78 3.24 -0.26 7.40 0.00 -1.26 -4.96 121.76 125.14 2kb4 s ALA 33 Ca 0.45 0.62 -0.28 0.00 0.00 0.00 0.00 51.96 52.75 2kb4 s ALA 33 Cb -0.29 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.57 2kb4 s ALA 33 CO 0.36 0.07 2.06 -2.14 0.00 0.00 0.00 175.76 176.11 2kb4 s PRO 34 N -1.90 3.22 -0.28 0.00 0.02 -1.26 -4.89 135.00 129.91 2kb4 s PRO 34 Ca 0.49 1.81 -0.07 0.00 0.02 0.00 0.00 61.00 63.25 2kb4 s PRO 34 Cb -0.22 -4.30 0.14 0.00 0.02 0.00 0.00 34.50 30.13 2kb4 s PRO 34 CO 0.28 -2.00 0.58 0.00 -0.33 0.00 0.00 177.00 175.54 2kb4 s ALA 35 N 7.73 -1.90 0.33 -1.55 0.00 -1.26 -5.14 121.76 119.96 2kb4 s ALA 35 Ca 0.93 2.00 -0.26 0.00 0.00 0.00 0.00 51.96 54.63 2kb4 s ALA 35 Cb -0.29 -1.80 -0.10 0.00 0.00 0.00 0.00 23.12 20.93 2kb4 s ALA 35 CO 0.35 -1.03 0.94 -1.54 0.00 0.00 0.00 175.76 174.48 2kb4 s SER 36 N 2.82 7.30 0.22 0.00 1.04 -1.26 -5.03 113.70 118.79 2kb4 s SER 36 Ca 0.03 1.82 0.08 0.00 0.48 0.00 0.00 55.95 58.36 2kb4 s SER 36 Cb -0.13 -2.58 -0.04 0.00 0.10 0.00 0.00 66.02 63.37 2kb4 s SER 36 CO -0.18 -0.09 0.06 0.28 0.98 0.00 0.00 173.24 174.28 2kb4 s THR 37 N -1.67 3.87 -0.36 2.02 -1.32 -1.26 -5.01 115.64 111.91 2kb4 s THR 37 Ca 0.51 -1.54 0.14 0.00 -1.21 0.00 0.00 61.69 59.59 2kb4 s THR 37 Cb -0.18 -3.02 0.44 0.00 -1.51 0.00 0.00 72.50 68.23 2kb4 s THR 37 CO 0.23 -0.25 0.98 0.61 -2.21 0.00 0.00 174.62 173.98 2kb4 n GLY 38 N -0.62 3.00 0.23 6.08 0.00 -1.26 -4.89 105.19 107.74 2kb4 n GLY 38 Ca -0.08 -1.77 0.06 0.00 0.00 0.00 0.00 46.02 44.23 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 2.88 1.70 0.00 4.61 0.00 -1.94 -1.60 119.26 124.92 2kb4 h ALA 39 Ca 0.03 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2kb4 h ALA 39 Cb 1.08 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.84 2kb4 h ALA 39 CO 0.61 0.19 0.00 1.05 0.00 0.00 0.00 179.25 181.10 2kb4 h GLU 40 N 0.00 0.00 0.00 0.00 4.11 -1.90 -2.26 114.58 114.53 2kb4 h GLU 40 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.36 59.31 2kb4 h GLU 40 Cb 0.27 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.51 2kb4 h GLU 40 CO 0.02 0.00 -0.56 -0.97 0.07 0.00 0.00 179.01 177.57 2kb4 h ASN 41 N 0.00 0.00 -3.83 3.06 -0.73 -1.69 -3.43 115.58 108.96 2kb4 h ASN 41 Ca 0.00 0.00 -0.48 0.00 1.87 0.00 0.00 56.30 57.69 2kb4 h ASN 41 Cb 0.46 0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.04 2kb4 h ASN 41 CO 0.00 0.56 0.17 -0.76 -0.37 0.00 0.00 177.43 177.03 2kb4 s LEU 42 N -7.73 3.94 1.21 0.34 2.01 -0.85 -5.06 118.68 112.53 2kb4 s LEU 42 Ca -0.02 1.35 -0.19 0.00 0.01 0.00 0.00 54.13 55.28 2kb4 s LEU 42 Cb 0.13 -4.19 0.29 0.00 0.01 0.00 0.00 46.19 42.43 2kb4 s LEU 42 CO 0.75 -0.32 1.08 -2.84 1.01 0.00 0.00 176.35 176.03 2kb4 s PRO 43 N -3.34 -1.28 -0.38 1.29 0.02 -1.26 -4.89 135.00 125.15 2kb4 s PRO 43 Ca 0.55 0.07 -0.28 0.00 0.02 0.00 0.00 61.00 61.37 2kb4 s PRO 43 Cb -0.10 -1.58 -0.01 0.00 0.02 0.00 0.00 34.50 32.83 2kb4 s PRO 43 CO 0.21 -3.78 1.74 0.00 -0.33 0.00 0.00 177.00 174.85 2kb4 s ALA 44 N -2.86 2.80 -0.39 -1.55 0.00 -1.26 -4.67 121.76 113.83 2kb4 s ALA 44 Ca 0.70 0.06 0.10 0.00 0.00 0.00 0.00 51.96 52.82 2kb4 s ALA 44 Cb -0.12 -4.04 0.40 0.00 0.00 0.00 0.00 23.12 19.35 2kb4 s ALA 44 CO 0.57 -2.77 1.35 0.41 0.00 0.00 0.00 175.76 175.33 2kb4 n GLY 45 N 5.40 1.42 3.94 0.00 0.00 -1.24 -0.84 105.19 113.87 2kb4 n GLY 45 Ca 0.21 -0.21 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.34 5.70 0.46 1.61 0.01 -1.25 -4.71 113.70 114.18 2kb4 s SER 46 Ca 0.21 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.95 2kb4 s SER 46 Cb 0.41 -1.59 -0.00 0.00 0.21 0.00 0.00 66.02 65.05 2kb4 s SER 46 CO -0.09 -0.88 0.68 0.00 0.41 0.00 0.00 173.24 173.36 2kb4 s ALA 47 N -2.77 3.74 0.09 1.44 0.00 -1.26 -1.03 121.76 121.98 2kb4 s ALA 47 Ca 0.51 -1.05 0.03 0.00 0.00 0.00 0.00 51.96 51.46 2kb4 s ALA 47 Cb -0.10 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.82 2kb4 s ALA 47 CO 0.41 -0.40 -0.09 -0.48 0.00 0.00 0.00 175.76 175.20 2kb4 s LEU 48 N -4.58 2.42 -0.13 0.00 2.34 -0.17 -0.45 118.68 118.10 2kb4 s LEU 48 Ca 0.49 -0.83 -0.03 0.00 0.06 0.00 0.00 54.13 53.82 2kb4 s LEU 48 Cb -0.10 -0.24 -0.03 0.00 -0.56 0.00 0.00 46.19 45.26 2kb4 s LEU 48 CO 0.38 -0.30 -0.03 -1.48 -1.06 0.00 0.00 176.35 173.86 2kb4 s LEU 49 N -2.51 3.30 -0.24 1.48 2.34 -0.61 -1.97 118.68 120.48 2kb4 s LEU 49 Ca 0.06 -0.07 0.00 0.00 0.06 0.00 0.00 54.13 54.18 2kb4 s LEU 49 Cb -0.02 -1.78 0.04 0.00 -0.56 0.00 0.00 46.19 43.87 2kb4 s LEU 49 CO -0.01 0.23 -0.11 -0.69 -1.06 0.00 0.00 176.35 174.71 2kb4 s VAL 50 N 0.02 2.49 -0.33 1.48 1.01 0.39 -2.12 120.40 123.34 2kb4 s VAL 50 Ca 0.01 -1.19 -0.18 0.00 0.00 0.00 0.00 61.98 60.61 2kb4 s VAL 50 Cb -0.13 -2.28 -0.01 0.00 0.00 0.00 0.00 36.38 33.96 2kb4 s VAL 50 CO 0.03 0.20 0.53 -0.69 0.00 0.00 0.00 175.10 175.17 2kb4 s VAL 51 N 1.25 5.01 0.00 2.92 1.01 -0.37 -0.00 120.40 130.21 2kb4 s VAL 51 Ca -0.01 0.50 -0.12 0.00 0.00 0.00 0.00 61.98 62.35 2kb4 s VAL 51 Cb -0.17 -3.95 -0.33 0.00 0.00 0.00 0.00 36.38 31.94 2kb4 s VAL 51 CO -0.07 -0.16 0.87 0.11 0.00 0.00 0.00 175.10 175.85 2kb4 h LYS 52 N 8.36 0.44 -2.56 2.72 1.79 -1.80 -3.36 116.57 122.17 2kb4 h LYS 52 Ca -0.28 -0.75 -0.22 0.00 -2.18 0.00 0.00 60.65 57.23 2kb4 h LYS 52 Cb 1.13 0.28 -0.32 0.00 -1.58 0.00 0.00 32.23 31.73 2kb4 h LYS 52 CO 0.77 1.35 -0.53 0.50 -1.08 0.00 0.00 179.45 180.46 2kb4 s ARG 53 N -2.60 0.21 0.00 3.15 3.52 -1.22 -5.04 118.95 116.99 2kb4 s ARG 53 Ca -0.11 0.61 0.00 0.00 -0.13 0.00 0.00 55.73 56.09 2kb4 s ARG 53 Cb 0.05 -0.37 0.00 0.00 -1.56 0.00 0.00 34.95 33.07 2kb4 s ARG 53 CO 0.90 -0.44 0.00 0.41 -0.81 0.00 0.00 175.30 175.36 2kb4 n GLY 54 N 5.35 1.57 0.00 8.12 0.00 -1.26 -2.47 105.19 116.50 2kb4 n GLY 54 Ca -0.06 0.18 0.07 0.00 0.00 0.00 0.00 46.02 46.21 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 -0.09 0.04 -0.25 1.61 -0.04 -1.26 -2.18 135.00 132.83 2kb4 n PRO 55 Ca 0.00 0.24 0.06 0.00 -0.04 0.00 0.00 63.50 63.76 2kb4 n PRO 55 Cb 0.00 -1.50 0.18 0.00 -0.04 0.00 0.00 33.50 32.14 2kb4 n PRO 55 CO 0.00 0.00 0.00 -2.95 -0.04 0.00 0.00 175.50 172.51 2kb4 h ASN 56 N 0.00 -0.05 0.00 3.54 7.08 -1.83 -3.43 115.58 120.89 2kb4 h ASN 56 Ca 0.00 0.16 0.00 0.00 -3.08 0.00 0.00 56.30 53.38 2kb4 h ASN 56 Cb 0.22 0.23 0.00 0.00 -2.08 0.00 0.00 38.32 36.69 2kb4 h ASN 56 CO 0.00 -0.07 0.00 0.00 -2.08 0.00 0.00 177.43 175.28 2kb4 n ALA 57 N -2.71 0.00 -3.19 4.14 0.00 -1.23 -3.72 120.51 113.79 2kb4 n ALA 57 Ca 0.14 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.43 2kb4 n ALA 57 Cb 0.48 0.00 0.07 0.00 0.00 0.00 0.00 19.45 19.99 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 -0.95 -0.19 2.70 0.00 0.00 -0.93 -5.00 105.19 100.83 2kb4 n GLY 58 Ca 0.00 -0.01 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.79 0.28 -3.60 4.61 0.00 -1.26 -4.91 120.51 111.84 2kb4 n ALA 59 Ca -0.14 -1.51 -0.14 0.00 0.00 0.00 0.00 53.44 51.65 2kb4 n ALA 59 Cb 0.60 1.22 -0.15 0.00 0.00 0.00 0.00 19.45 21.12 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 -2.95 0.03 0.05 0.00 1.70 -1.26 -1.24 118.95 115.27 2kb4 s ARG 60 Ca 0.30 0.23 -0.20 0.00 -0.47 0.00 0.00 55.73 55.59 2kb4 s ARG 60 Cb 0.01 -0.17 0.04 0.00 -0.57 0.00 0.00 34.95 34.26 2kb4 s ARG 60 CO 0.21 -0.14 0.45 -0.59 -1.08 0.00 0.00 175.30 174.16 2kb4 s PHE 61 N 0.91 -0.32 0.21 5.89 -0.71 -0.90 -4.97 117.98 118.09 2kb4 s PHE 61 Ca -0.07 0.30 -0.29 0.00 -1.04 0.00 0.00 56.93 55.83 2kb4 s PHE 61 Cb -0.10 0.27 -0.09 0.00 -1.21 0.00 0.00 43.02 41.89 2kb4 s PHE 61 CO -0.03 -0.60 0.90 -1.17 -1.34 0.00 0.00 175.22 172.97 2kb4 s LEU 62 N -2.03 4.63 -0.32 -1.99 0.20 -1.26 -1.57 118.68 116.33 2kb4 s LEU 62 Ca -0.05 1.86 -0.11 0.00 0.69 0.00 0.00 54.13 56.52 2kb4 s LEU 62 Cb -0.01 -3.53 -0.02 0.00 -0.43 0.00 0.00 46.19 42.21 2kb4 s LEU 62 CO -0.03 0.16 0.20 -0.76 -0.29 0.00 0.00 176.35 175.64 2kb4 s LEU 63 N -1.10 4.33 0.00 -0.68 2.01 0.41 -4.88 118.68 118.76 2kb4 s LEU 63 Ca 0.40 -0.44 0.10 0.00 0.01 0.00 0.00 54.13 54.20 2kb4 s LEU 63 Cb -0.25 -2.08 0.00 0.00 0.01 0.00 0.00 46.19 43.87 2kb4 s LEU 63 CO 0.30 -0.21 0.63 -0.67 1.01 0.00 0.00 176.35 177.42 2kb4 n ASP 64 N 5.05 1.23 -4.68 2.29 2.03 -1.26 -4.26 116.55 116.95 2kb4 n ASP 64 Ca -0.13 -1.12 -0.43 0.00 0.52 0.00 0.00 54.79 53.64 2kb4 n ASP 64 Cb 0.50 0.45 -0.02 0.00 -0.72 0.00 0.00 41.12 41.32 2kb4 n ASP 64 CO 0.00 0.00 0.00 -1.10 -1.92 0.00 0.00 177.20 174.18 2kb4 s GLN 65 N -1.31 4.35 0.54 -0.67 1.11 -1.26 -4.88 119.66 117.54 2kb4 s GLN 65 Ca 0.08 1.46 0.22 0.00 0.01 0.00 0.00 55.36 57.13 2kb4 s GLN 65 Cb 0.08 -3.59 1.46 0.00 -1.01 0.00 0.00 33.01 29.95 2kb4 s GLN 65 CO 0.24 -0.45 2.16 -1.00 0.01 0.00 0.00 175.29 176.25 2kb4 h PRO 66 N 7.35 0.00 -3.67 2.91 0.13 -1.93 -3.35 132.00 133.43 2kb4 h PRO 66 Ca -0.28 0.00 -0.47 0.00 -0.87 0.00 0.00 66.00 64.38 2kb4 h PRO 66 Cb 1.12 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.87 2kb4 h PRO 66 CO 0.90 0.04 -0.77 0.99 -0.23 0.00 0.00 178.00 178.93 2kb4 s THR 67 N -4.76 0.45 -0.32 1.56 2.01 -1.26 -1.55 115.64 111.78 2kb4 s THR 67 Ca -0.05 -0.13 -0.09 0.00 0.31 0.00 0.00 61.69 61.74 2kb4 s THR 67 Cb 0.16 -0.73 0.00 0.00 0.01 0.00 0.00 72.50 71.95 2kb4 s THR 67 CO 0.62 0.11 0.15 -0.89 -0.69 0.00 0.00 174.62 173.91 2kb4 s THR 68 N 1.92 4.45 -0.02 -0.82 2.01 0.12 -4.95 115.64 118.35 2kb4 s THR 68 Ca 0.03 -0.57 -0.27 0.00 0.31 0.00 0.00 61.69 61.19 2kb4 s THR 68 Cb -0.14 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.02 2kb4 s THR 68 CO -0.06 0.01 0.87 0.42 -0.69 0.00 0.00 174.62 175.16 2kb4 s THR 69 N 1.58 4.93 -0.29 -0.82 -4.23 -1.26 -0.46 115.64 115.08 2kb4 s THR 69 Ca 0.04 1.81 -0.06 0.00 -1.18 0.00 0.00 61.69 62.29 2kb4 s THR 69 Cb -0.17 -4.21 0.01 0.00 1.34 0.00 0.00 72.50 69.46 2kb4 s THR 69 CO 0.05 0.21 0.07 0.00 -0.54 0.00 0.00 174.62 174.41 2kb4 s ALA 70 N 0.87 3.05 0.00 3.99 0.00 -0.19 -2.17 121.76 127.31 2kb4 s ALA 70 Ca 0.46 -1.41 0.00 0.00 0.00 0.00 0.00 51.96 51.01 2kb4 s ALA 70 Cb -0.20 -2.11 0.00 0.00 0.00 0.00 0.00 23.12 20.82 2kb4 s ALA 70 CO 0.24 -0.86 0.00 0.41 0.00 0.00 0.00 175.76 175.55 2kb4 n GLY 71 N 4.86 -0.52 2.74 0.00 0.00 -1.25 -1.73 105.19 109.29 2kb4 n GLY 71 Ca -0.15 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 44.90 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 0.57 0.00 1.61 0.63 -1.26 -1.55 116.66 116.66 2kb4 n ARG 72 Ca 0.00 -2.02 0.00 0.00 -0.92 0.00 0.00 57.85 54.91 2kb4 n ARG 72 Cb 0.00 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 31.44 2kb4 n ARG 72 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 2kb4 n HIS 73 N 2.70 -0.11 -0.16 -0.14 -0.00 -1.26 -5.02 115.22 111.23 2kb4 n HIS 73 Ca 0.17 0.00 -0.10 0.00 0.46 0.00 0.00 57.72 58.25 2kb4 n HIS 73 Cb 0.57 0.02 -0.00 0.00 -0.12 0.00 0.00 29.99 30.46 2kb4 n HIS 73 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 2kb4 h PRO 74 N 0.00 0.87 -0.97 1.57 0.13 -1.97 -3.42 132.00 128.21 2kb4 h PRO 74 Ca 0.00 -0.30 0.15 0.00 -0.87 0.00 0.00 66.00 64.99 2kb4 h PRO 74 Cb 0.00 -0.07 -0.22 0.00 0.13 0.00 0.00 31.00 30.85 2kb4 h PRO 74 CO 0.00 0.93 0.01 -1.21 -0.23 0.00 0.00 178.00 177.50 2kb4 s GLU 75 N -4.92 0.38 -0.26 0.86 2.02 -1.26 -5.13 118.70 110.38 2kb4 s GLU 75 Ca -0.12 0.81 -0.03 0.00 0.02 0.00 0.00 54.97 55.65 2kb4 s GLU 75 Cb 0.11 0.47 0.09 0.00 0.10 0.00 0.00 34.13 34.90 2kb4 s GLU 75 CO 0.83 -0.29 0.10 -1.12 0.02 0.00 0.00 175.26 174.80 2kb4 s SER 76 N 2.77 3.45 0.21 -0.19 0.01 -1.26 -4.75 113.70 113.93 2kb4 s SER 76 Ca 0.04 -1.24 0.05 0.00 1.31 0.00 0.00 55.95 56.11 2kb4 s SER 76 Cb -0.11 -0.55 0.15 0.00 0.21 0.00 0.00 66.02 65.72 2kb4 s SER 76 CO -0.17 -0.40 1.49 0.44 0.41 0.00 0.00 173.24 175.01 2kb4 h ASP 77 N 8.27 0.19 -4.31 2.44 3.32 -1.78 -3.41 116.42 121.14 2kb4 h ASP 77 Ca -0.17 -0.13 -0.70 0.00 0.02 0.00 0.00 57.03 56.06 2kb4 h ASP 77 Cb 1.05 -0.06 -0.30 0.00 0.22 0.00 0.00 39.33 40.24 2kb4 h ASP 77 CO 0.41 0.85 -0.88 0.27 -1.72 0.00 0.00 179.24 178.17 2kb4 s ILE 78 N -3.46 2.10 -0.17 0.35 -4.36 -0.99 -4.94 121.20 109.73 2kb4 s ILE 78 Ca -0.03 -1.07 -0.24 0.00 -0.26 0.00 0.00 60.65 59.05 2kb4 s ILE 78 Cb 0.11 -1.74 -0.02 0.00 1.25 0.00 0.00 42.46 42.07 2kb4 s ILE 78 CO 0.80 0.58 0.77 -0.36 0.24 0.00 0.00 174.94 176.97 2kb4 s PHE 79 N -0.41 3.42 0.20 1.37 0.40 -1.26 -3.86 117.98 117.84 2kb4 s PHE 79 Ca 0.04 1.18 0.10 0.00 -0.60 0.00 0.00 56.93 57.65 2kb4 s PHE 79 Cb -0.12 -2.94 -0.04 0.00 0.51 0.00 0.00 43.02 40.42 2kb4 s PHE 79 CO 0.01 -0.20 -0.21 -1.17 0.70 0.00 0.00 175.22 174.36 2kb4 s LEU 80 N 1.97 2.46 -0.16 -0.37 2.96 -0.60 -4.06 118.68 120.89 2kb4 s LEU 80 Ca 0.36 -0.89 -0.30 0.00 -0.22 0.00 0.00 54.13 53.07 2kb4 s LEU 80 Cb -0.16 -1.02 0.13 0.00 0.50 0.00 0.00 46.19 45.63 2kb4 s LEU 80 CO 0.12 0.04 1.00 -0.62 -1.32 0.00 0.00 176.35 175.58 2kb4 s ASP 81 N -2.81 -0.36 0.01 3.68 -1.08 -1.26 -4.38 116.67 110.47 2kb4 s ASP 81 Ca 0.20 0.39 -0.29 0.00 -0.52 0.00 0.00 52.55 52.33 2kb4 s ASP 81 Cb -0.06 0.30 0.10 0.00 -1.46 0.00 0.00 42.92 41.79 2kb4 s ASP 81 CO 0.09 -0.34 1.01 -0.62 0.52 0.00 0.00 175.17 175.83 2kb4 s ASP 82 N -1.15 -0.23 0.57 -0.34 2.15 -1.26 -3.37 116.67 113.03 2kb4 s ASP 82 Ca -0.01 -0.14 0.31 0.00 0.43 0.00 0.00 52.55 53.14 2kb4 s ASP 82 Cb -0.00 0.35 1.71 0.00 -0.30 0.00 0.00 42.92 44.67 2kb4 s ASP 82 CO 0.01 -0.60 2.17 -0.37 -0.17 0.00 0.00 175.17 176.21 2kb4 h VAL 83 N 2.00 0.42 -1.62 1.11 -1.51 -1.99 -3.22 116.25 111.43 2kb4 h VAL 83 Ca -0.22 -0.30 -0.49 0.00 -1.23 0.00 0.00 66.70 64.46 2kb4 h VAL 83 Cb 1.22 1.21 -0.34 0.00 -2.13 0.00 0.00 31.29 31.25 2kb4 h VAL 83 CO 0.28 0.06 -0.97 0.41 -1.23 0.00 0.00 177.57 176.11 2kb4 n THR 84 N -3.55 -0.59 -3.65 7.19 -1.04 -1.26 -5.12 114.28 106.26 2kb4 n THR 84 Ca -0.02 -3.44 -0.38 0.00 -2.04 0.00 0.00 64.05 58.17 2kb4 n THR 84 Cb 0.17 -1.22 -0.06 0.00 -1.82 0.00 0.00 70.33 67.40 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 2kb4 s VAL 85 N -0.71 5.21 0.38 12.58 0.11 -1.22 -3.91 120.40 132.84 2kb4 s VAL 85 Ca 0.34 0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 59.97 2kb4 s VAL 85 Cb 0.17 -3.59 -0.03 0.00 -1.53 0.00 0.00 36.38 31.39 2kb4 s VAL 85 CO -0.14 0.58 0.60 -0.55 -3.33 0.00 0.00 175.10 172.27 2kb4 s SER 86 N -1.09 6.29 0.14 3.54 0.15 -1.26 -4.99 113.70 116.48 2kb4 s SER 86 Ca 0.21 0.56 -0.18 0.00 0.70 0.00 0.00 55.95 57.24 2kb4 s SER 86 Cb -0.15 -2.08 0.01 0.00 -1.71 0.00 0.00 66.02 62.09 2kb4 s SER 86 CO 0.10 -0.36 1.76 -0.09 1.20 0.00 0.00 173.24 175.85 2kb4 h ARG 87 N 0.64 0.24 -3.31 5.44 9.65 -1.96 -3.20 114.38 121.88 2kb4 h ARG 87 Ca -0.49 -0.01 -0.64 0.00 -1.10 0.00 0.00 59.98 57.73 2kb4 h ARG 87 Cb 1.22 -0.05 -0.41 0.00 -1.39 0.00 0.00 29.97 29.33 2kb4 h ARG 87 CO 0.61 0.16 -0.57 0.50 2.80 0.00 0.00 179.97 183.47 2kb4 s ARG 88 N -6.17 2.21 -0.14 0.20 6.06 -1.26 -4.21 118.95 115.64 2kb4 s ARG 88 Ca -0.13 -2.85 -0.21 0.00 -2.50 0.00 0.00 55.73 50.04 2kb4 s ARG 88 Cb 0.11 -3.41 -0.19 0.00 0.06 0.00 0.00 34.95 31.52 2kb4 s ARG 88 CO 0.70 -1.17 0.51 1.25 -2.50 0.00 0.00 175.30 174.09 2kb4 h HIS 89 N 6.20 0.00 -3.82 5.12 -0.00 -1.33 -3.22 115.15 118.10 2kb4 h HIS 89 Ca -0.00 0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.28 2kb4 h HIS 89 Cb 0.85 0.00 -0.14 0.00 -0.00 0.00 0.00 27.41 28.13 2kb4 h HIS 89 CO 0.59 0.80 -0.37 0.00 -0.00 0.00 0.00 177.93 178.96 2kb4 s ALA 90 N -2.32 -0.19 -0.07 5.26 0.00 -1.06 -0.94 121.76 122.44 2kb4 s ALA 90 Ca -0.16 -0.65 0.01 0.00 0.00 0.00 0.00 51.96 51.16 2kb4 s ALA 90 Cb -0.01 0.53 0.02 0.00 0.00 0.00 0.00 23.12 23.66 2kb4 s ALA 90 CO 0.52 -0.52 -0.08 -2.00 0.00 0.00 0.00 175.76 173.67 2kb4 s GLU 91 N -3.87 1.31 -0.22 0.00 2.12 0.01 -1.02 118.70 117.03 2kb4 s GLU 91 Ca 0.06 -0.25 -0.06 0.00 0.36 0.00 0.00 54.97 55.08 2kb4 s GLU 91 Cb 0.05 -1.23 -0.03 0.00 0.26 0.00 0.00 34.13 33.18 2kb4 s GLU 91 CO -0.10 -0.09 0.04 0.12 -0.54 0.00 0.00 175.26 174.69 2kb4 s PHE 92 N 1.04 3.09 -0.08 5.30 5.36 0.39 -0.17 117.98 132.91 2kb4 s PHE 92 Ca -0.08 -0.34 0.02 0.00 -0.96 0.00 0.00 56.93 55.56 2kb4 s PHE 92 Cb -0.14 -2.14 -0.02 0.00 -0.34 0.00 0.00 43.02 40.37 2kb4 s PHE 92 CO -0.00 -0.21 -0.13 1.03 -1.46 0.00 0.00 175.22 174.44 2kb4 s ARG 93 N 1.11 2.85 -0.11 10.12 0.52 0.54 0.13 118.95 134.12 2kb4 s ARG 93 Ca 0.03 -0.68 0.02 0.00 -0.52 0.00 0.00 55.73 54.59 2kb4 s ARG 93 Cb -0.14 -2.49 -0.01 0.00 0.52 0.00 0.00 34.95 32.82 2kb4 s ARG 93 CO 0.02 0.48 -0.17 -1.50 0.02 0.00 0.00 175.30 174.15 2kb4 s ILE 94 N -0.34 2.72 0.03 1.52 2.07 -0.60 -1.73 121.20 124.87 2kb4 s ILE 94 Ca 0.03 -0.79 0.03 0.00 -1.41 0.00 0.00 60.65 58.51 2kb4 s ILE 94 Cb -0.13 -2.10 -0.04 0.00 0.13 0.00 0.00 42.46 40.33 2kb4 s ILE 94 CO 0.02 0.54 -0.03 0.21 -1.91 0.00 0.00 174.94 173.78 2kb4 s ASN 95 N 0.20 4.89 0.63 4.50 3.84 0.63 -4.73 114.94 124.89 2kb4 s ASN 95 Ca -0.10 -0.11 0.31 0.00 0.21 0.00 0.00 52.86 53.16 2kb4 s ASN 95 Cb -0.16 -1.19 1.69 0.00 -0.55 0.00 0.00 41.25 41.04 2kb4 s ASN 95 CO 0.06 0.25 2.01 1.05 -2.79 0.00 0.00 177.10 177.68 2kb4 h GLU 96 N 4.17 0.00 -0.06 0.43 9.09 -1.95 -1.53 114.58 124.72 2kb4 h GLU 96 Ca -0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.93 2kb4 h GLU 96 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.27 2kb4 h GLU 96 CO 0.56 0.00 0.00 0.41 0.05 0.00 0.00 179.01 180.03 2kb4 n GLY 97 N -1.32 1.19 3.55 1.06 0.00 -1.26 -5.05 105.19 103.36 2kb4 n GLY 97 Ca 0.01 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.70 0.90 -0.24 1.61 2.12 -0.58 -5.15 118.70 116.67 2kb4 s GLU 98 Ca 0.06 0.33 0.00 0.00 0.36 0.00 0.00 54.97 55.72 2kb4 s GLU 98 Cb 0.03 0.43 0.04 0.00 0.26 0.00 0.00 34.13 34.89 2kb4 s GLU 98 CO 0.05 -0.26 -0.11 -0.06 -0.54 0.00 0.00 175.26 174.34 2kb4 s PHE 99 N -0.94 3.07 -0.03 5.30 0.08 -1.26 -0.27 117.98 123.93 2kb4 s PHE 99 Ca -0.07 -1.83 0.02 0.00 0.12 0.00 0.00 56.93 55.17 2kb4 s PHE 99 Cb -0.01 -1.99 0.00 0.00 -0.57 0.00 0.00 43.02 40.46 2kb4 s PHE 99 CO 0.06 -0.80 -0.09 -2.00 -0.10 0.00 0.00 175.22 172.30 2kb4 s GLU 100 N 1.24 0.98 -0.08 0.44 2.12 -0.70 -0.22 118.70 122.48 2kb4 s GLU 100 Ca -0.02 -0.29 0.04 0.00 0.36 0.00 0.00 54.97 55.06 2kb4 s GLU 100 Cb -0.17 -0.91 -0.00 0.00 0.26 0.00 0.00 34.13 33.31 2kb4 s GLU 100 CO -0.07 0.09 -0.22 0.54 -0.54 0.00 0.00 175.26 175.07 2kb4 s VAL 101 N 0.27 1.87 -0.13 3.70 0.11 0.70 -0.34 120.40 126.57 2kb4 s VAL 101 Ca -0.04 -0.92 -0.04 0.00 -2.93 0.00 0.00 61.98 58.05 2kb4 s VAL 101 Cb -0.09 -1.61 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 2kb4 s VAL 101 CO 0.01 0.52 0.01 0.68 -3.33 0.00 0.00 175.10 172.99 2kb4 s VAL 102 N 0.28 4.37 -0.47 2.04 -7.23 0.76 -0.19 120.40 119.97 2kb4 s VAL 102 Ca -0.14 -0.20 -0.22 0.00 -1.81 0.00 0.00 61.98 59.60 2kb4 s VAL 102 Cb -0.16 -2.90 0.03 0.00 0.56 0.00 0.00 36.38 33.91 2kb4 s VAL 102 CO 0.07 0.54 0.74 -0.62 -0.31 0.00 0.00 175.10 175.51 2kb4 s ASP 103 N -0.24 6.35 -0.03 4.85 -1.08 0.15 -0.81 116.67 125.86 2kb4 s ASP 103 Ca 0.06 -0.31 0.09 0.00 -0.52 0.00 0.00 52.55 51.87 2kb4 s ASP 103 Cb -0.12 -2.36 0.26 0.00 -1.46 0.00 0.00 42.92 39.23 2kb4 s ASP 103 CO 0.02 -0.91 1.21 1.33 0.52 0.00 0.00 175.17 177.34 2kb4 n VAL 104 N 5.99 1.20 -3.10 1.11 0.24 -0.12 -4.67 118.33 118.98 2kb4 n VAL 104 Ca -0.00 -1.17 -0.18 0.00 -2.04 0.00 0.00 64.34 60.95 2kb4 n VAL 104 Cb 0.48 0.37 -0.02 0.00 -1.47 0.00 0.00 33.84 33.20 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 0.04 2.76 2.54 7.63 0.00 -0.30 -4.79 105.19 113.08 2kb4 n GLY 105 Ca 0.10 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.52 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 0.67 6.10 -0.09 1.61 7.64 -1.26 -4.26 113.62 124.02 2kb4 n SER 106 Ca 0.20 -2.47 -0.21 0.00 1.01 0.00 0.00 58.87 57.40 2kb4 n SER 106 Cb 0.63 -1.30 -0.12 0.00 -1.01 0.00 0.00 64.21 62.41 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2kb4 h LEU 107 N 8.34 0.04 0.00 -3.43 3.38 -1.96 -3.43 115.31 118.25 2kb4 h LEU 107 Ca 0.63 -0.58 -0.10 0.00 0.09 0.00 0.00 57.88 57.92 2kb4 h LEU 107 Cb 0.27 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2kb4 h LEU 107 CO 1.64 1.49 -1.37 -3.20 0.09 0.00 0.00 178.44 177.08 2kb4 n ASN 108 N -4.36 3.62 0.00 -0.43 5.15 -1.25 -5.09 115.26 112.89 2kb4 n ASN 108 Ca -0.30 -0.01 0.00 0.00 -0.60 0.00 0.00 54.58 53.66 2kb4 n ASN 108 Cb 0.70 0.41 0.00 0.00 -0.53 0.00 0.00 39.78 40.36 2kb4 n ASN 108 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2kb4 n GLY 109 N 2.82 2.28 3.84 8.20 0.00 -1.26 -4.79 105.19 116.28 2kb4 n GLY 109 Ca -0.10 -1.54 -0.37 0.00 0.00 0.00 0.00 46.02 44.01 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 -0.89 5.32 0.09 2.61 2.01 -1.26 -1.30 115.64 122.21 2kb4 s THR 110 Ca 0.00 0.47 0.05 0.00 0.31 0.00 0.00 61.69 62.52 2kb4 s THR 110 Cb 0.00 -3.54 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2kb4 s THR 110 CO 0.00 0.57 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.05 2kb4 s TYR 111 N -0.78 1.22 -0.13 4.92 1.51 0.92 -3.83 117.35 121.17 2kb4 s TYR 111 Ca 0.18 -0.51 -0.00 0.00 -1.01 0.00 0.00 57.07 55.72 2kb4 s TYR 111 Cb -0.14 -0.67 0.03 0.00 -0.11 0.00 0.00 41.96 41.07 2kb4 s TYR 111 CO 0.07 0.06 -0.08 0.54 -1.11 0.00 0.00 175.55 175.04 2kb4 s VAL 112 N -1.66 1.12 -1.35 0.71 0.11 -0.32 0.21 120.40 119.22 2kb4 s VAL 112 Ca 0.01 -0.43 -0.04 0.00 -2.93 0.00 0.00 61.98 58.59 2kb4 s VAL 112 Cb -0.08 -1.17 -0.00 0.00 -1.53 0.00 0.00 36.38 33.60 2kb4 s VAL 112 CO 0.02 0.30 0.50 0.59 -3.33 0.00 0.00 175.10 173.19 2kb4 n ASN 113 N 4.90 -1.24 0.00 3.54 4.13 0.15 -1.09 115.26 125.65 2kb4 n ASN 113 Ca -0.13 -1.00 0.00 0.00 1.68 0.00 0.00 54.58 55.13 2kb4 n ASN 113 Cb 0.49 -3.16 0.00 0.00 -1.54 0.00 0.00 39.78 35.57 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 -4.37 0.00 -2.43 3.52 1.74 -1.26 -4.97 116.66 108.89 2kb4 n ARG 114 Ca -0.27 0.00 -0.43 0.00 -0.77 0.00 0.00 57.85 56.38 2kb4 n ARG 114 Cb 0.67 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 30.26 2kb4 n ARG 114 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 2kb4 s GLU 115 N 0.00 3.92 -0.57 5.56 2.12 -0.25 -4.98 118.70 124.50 2kb4 s GLU 115 Ca 0.00 1.23 -0.21 0.00 0.36 0.00 0.00 54.97 56.36 2kb4 s GLU 115 Cb 0.00 -3.87 0.07 0.00 0.26 0.00 0.00 34.13 30.59 2kb4 s GLU 115 CO 0.00 -1.11 0.77 -1.25 -0.54 0.00 0.00 175.26 173.13 2kb4 s PRO 116 N 4.14 3.13 0.18 4.30 0.04 -1.26 -1.17 135.00 144.36 2kb4 s PRO 116 Ca 0.56 -0.89 0.05 0.00 0.04 0.00 0.00 61.00 60.75 2kb4 s PRO 116 Cb -0.16 -4.16 -0.05 0.00 0.04 0.00 0.00 34.50 30.17 2kb4 s PRO 116 CO 0.23 -1.48 -0.09 1.03 0.04 0.00 0.00 177.00 176.73 2kb4 s ARG 117 N 3.16 1.19 0.00 4.56 0.52 -1.25 -5.04 118.95 122.09 2kb4 s ARG 117 Ca 0.18 -1.54 0.27 0.00 -0.52 0.00 0.00 55.73 54.13 2kb4 s ARG 117 Cb -0.19 -0.73 0.94 0.00 0.52 0.00 0.00 34.95 35.49 2kb4 s ARG 117 CO 0.11 0.06 1.71 0.09 0.02 0.00 0.00 175.30 177.29 2kb4 n ASN 118 N -0.29 0.30 -3.70 0.23 4.13 -1.26 -4.70 115.26 109.96 2kb4 n ASN 118 Ca -0.09 -0.02 -0.13 0.00 1.68 0.00 0.00 54.58 56.03 2kb4 n ASN 118 Cb 0.61 -0.12 -0.09 0.00 -1.54 0.00 0.00 39.78 38.64 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kb4 s ALA 119 N -2.89 -1.20 0.01 5.41 0.00 -1.26 0.33 121.76 122.15 2kb4 s ALA 119 Ca 0.16 1.44 -0.02 0.00 0.00 0.00 0.00 51.96 53.54 2kb4 s ALA 119 Cb 0.19 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.45 2kb4 s ALA 119 CO 0.59 -0.24 0.02 -0.65 0.00 0.00 0.00 175.76 175.47 2kb4 s GLN 120 N 0.51 0.34 -0.20 0.00 -1.52 0.74 -4.75 119.66 114.77 2kb4 s GLN 120 Ca -0.02 -0.50 -0.22 0.00 -1.95 0.00 0.00 55.36 52.67 2kb4 s GLN 120 Cb -0.04 0.13 -0.02 0.00 -0.22 0.00 0.00 33.01 32.85 2kb4 s GLN 120 CO -0.02 -0.06 0.67 0.08 -0.25 0.00 0.00 175.29 175.70 2kb4 s VAL 121 N -1.33 4.99 0.29 1.09 1.01 -1.26 -0.22 120.40 124.97 2kb4 s VAL 121 Ca -0.14 1.26 -0.29 0.00 0.00 0.00 0.00 61.98 62.81 2kb4 s VAL 121 Cb -0.09 -3.98 -0.10 0.00 0.00 0.00 0.00 36.38 32.22 2kb4 s VAL 121 CO -0.00 0.08 1.20 -0.04 0.00 0.00 0.00 175.10 176.34 2kb4 s MET 122 N 2.06 4.50 -0.16 2.72 -1.94 0.69 -4.97 119.30 122.20 2kb4 s MET 122 Ca 0.30 1.99 -0.06 0.00 -1.71 0.00 0.00 55.69 56.21 2kb4 s MET 122 Cb -0.16 -3.14 -0.04 0.00 2.01 0.00 0.00 34.83 33.50 2kb4 s MET 122 CO 0.10 0.00 0.04 -1.14 -0.01 0.00 0.00 175.02 174.02 2kb4 s GLN 123 N -1.43 3.80 -0.32 2.03 2.00 -1.26 -4.71 119.66 119.77 2kb4 s GLN 123 Ca 0.48 -0.37 -0.29 0.00 -2.00 0.00 0.00 55.36 53.18 2kb4 s GLN 123 Cb -0.35 -3.12 0.01 0.00 0.80 0.00 0.00 33.01 30.35 2kb4 s GLN 123 CO 0.45 0.34 1.16 0.95 -0.50 0.00 0.00 175.29 177.69 2kb4 s THR 124 N 0.16 4.36 0.00 -0.34 -4.23 -1.26 -2.86 115.64 111.48 2kb4 s THR 124 Ca 0.03 1.55 0.00 0.00 -1.18 0.00 0.00 61.69 62.09 2kb4 s THR 124 Cb -0.12 -4.33 0.00 0.00 1.34 0.00 0.00 72.50 69.38 2kb4 s THR 124 CO 0.01 -0.51 0.00 0.61 -0.54 0.00 0.00 174.62 174.19 2kb4 n GLY 125 N 4.08 0.92 2.39 3.99 0.00 0.11 -4.96 105.19 111.72 2kb4 n GLY 125 Ca 0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.95 2kb4 n GLY 125 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kb4 n ASP 126 N 0.00 2.00 -4.54 1.61 8.00 -1.13 -4.95 116.55 117.54 2kb4 n ASP 126 Ca 0.00 -2.51 -0.34 0.00 0.71 0.00 0.00 54.79 52.65 2kb4 n ASP 126 Cb 0.00 0.49 -0.12 0.00 -0.02 0.00 0.00 41.12 41.47 2kb4 n ASP 126 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kb4 s GLU 127 N -3.16 3.52 -0.21 -1.24 2.02 -1.26 -1.93 118.70 116.44 2kb4 s GLU 127 Ca 0.07 -0.50 -0.03 0.00 0.02 0.00 0.00 54.97 54.54 2kb4 s GLU 127 Cb 0.00 -2.89 -0.00 0.00 0.10 0.00 0.00 34.13 31.35 2kb4 s GLU 127 CO 0.05 0.35 -0.09 0.42 0.02 0.00 0.00 175.26 176.01 2kb4 s ILE 128 N 0.09 3.02 -0.24 -1.63 1.09 0.11 -0.67 121.20 122.95 2kb4 s ILE 128 Ca 0.00 -0.61 -0.08 0.00 -1.10 0.00 0.00 60.65 58.85 2kb4 s ILE 128 Cb -0.13 -2.35 -0.04 0.00 -1.06 0.00 0.00 42.46 38.88 2kb4 s ILE 128 CO 0.03 0.46 0.10 -1.58 -0.10 0.00 0.00 174.94 173.85 2kb4 s GLN 129 N 1.42 3.82 -0.54 2.79 0.74 0.13 -0.87 119.66 127.16 2kb4 s GLN 129 Ca 0.05 -0.40 -0.13 0.00 0.05 0.00 0.00 55.36 54.94 2kb4 s GLN 129 Cb -0.14 -3.40 0.13 0.00 1.10 0.00 0.00 33.01 30.70 2kb4 s GLN 129 CO -0.06 -0.08 0.46 0.96 -0.55 0.00 0.00 175.29 176.02 2kb4 s ILE 130 N 1.37 4.78 0.00 -2.34 -5.25 -0.10 -0.06 121.20 119.59 2kb4 s ILE 130 Ca 0.06 -1.75 0.00 0.00 -0.99 0.00 0.00 60.65 57.97 2kb4 s ILE 130 Cb -0.15 -4.08 0.00 0.00 2.95 0.00 0.00 42.46 41.18 2kb4 s ILE 130 CO 0.05 -0.84 0.00 0.61 -1.79 0.00 0.00 174.94 172.97 2kb4 n GLY 131 N 4.94 1.78 0.00 6.27 0.00 -0.42 -2.40 105.19 115.36 2kb4 n GLY 131 Ca -0.08 -0.18 0.04 0.00 0.00 0.00 0.00 46.02 45.80 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 2.89 -3.79 1.61 4.76 -1.26 -4.83 118.16 117.54 2kb4 n LYS 132 Ca 0.00 -0.03 -0.30 0.00 -2.87 0.00 0.00 58.31 55.11 2kb4 n LYS 132 Cb 0.00 -1.02 -0.04 0.00 -1.84 0.00 0.00 35.03 32.13 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 -2.10 3.49 -0.15 2.13 0.08 -1.01 -5.07 117.98 115.36 2kb4 s PHE 133 Ca 0.01 0.37 -0.02 0.00 0.12 0.00 0.00 56.93 57.42 2kb4 s PHE 133 Cb 0.07 -1.86 -0.02 0.00 -0.57 0.00 0.00 43.02 40.64 2kb4 s PHE 133 CO 0.38 0.49 -0.09 1.03 -0.10 0.00 0.00 175.22 176.93 2kb4 s ARG 134 N -2.76 3.46 -0.05 0.44 0.52 -1.03 -0.93 118.95 118.60 2kb4 s ARG 134 Ca 0.38 -0.63 0.06 0.00 -0.52 0.00 0.00 55.73 55.02 2kb4 s ARG 134 Cb -0.12 -2.76 -0.01 0.00 0.52 0.00 0.00 34.95 32.57 2kb4 s ARG 134 CO 0.27 0.15 -0.24 -1.17 0.02 0.00 0.00 175.30 174.33 2kb4 s LEU 135 N 0.54 2.04 -0.17 2.53 0.20 -0.05 -2.46 118.68 121.31 2kb4 s LEU 135 Ca -0.06 -0.48 -0.04 0.00 0.69 0.00 0.00 54.13 54.24 2kb4 s LEU 135 Cb -0.15 -1.30 -0.03 0.00 -0.43 0.00 0.00 46.19 44.28 2kb4 s LEU 135 CO 0.03 0.25 -0.03 -0.69 -0.29 0.00 0.00 176.35 175.62 2kb4 s VAL 136 N -0.24 3.89 -0.23 1.68 1.01 0.99 0.04 120.40 127.55 2kb4 s VAL 136 Ca -0.01 -0.35 -0.07 0.00 0.00 0.00 0.00 61.98 61.55 2kb4 s VAL 136 Cb -0.12 -2.72 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 2kb4 s VAL 136 CO 0.02 0.47 0.06 0.12 0.00 0.00 0.00 175.10 175.78 2kb4 s PHE 137 N 0.59 3.12 0.15 5.22 5.36 -0.81 -0.46 117.98 131.15 2kb4 s PHE 137 Ca -0.02 -0.29 0.05 0.00 -0.96 0.00 0.00 56.93 55.71 2kb4 s PHE 137 Cb -0.14 -2.19 -0.04 0.00 -0.34 0.00 0.00 43.02 40.31 2kb4 s PHE 137 CO 0.02 -0.22 -0.11 -0.51 -1.46 0.00 0.00 175.22 172.94 2kb4 s LEU 138 N 1.26 2.51 0.08 6.12 1.02 -0.83 0.07 118.68 128.92 2kb4 s LEU 138 Ca 0.05 -0.98 -0.30 0.00 0.02 0.00 0.00 54.13 52.92 2kb4 s LEU 138 Cb -0.15 -0.43 -0.05 0.00 0.02 0.00 0.00 46.19 45.59 2kb4 s LEU 138 CO 0.03 -0.27 0.99 0.00 0.02 0.00 0.00 176.35 177.12 2kb4 s ALA 139 N -3.06 3.24 0.41 4.21 0.00 -1.26 -1.00 121.76 124.29 2kb4 s ALA 139 Ca 0.16 0.60 0.00 0.00 0.00 0.00 0.00 51.96 52.72 2kb4 s ALA 139 Cb 0.01 -3.31 0.00 0.00 0.00 0.00 0.00 23.12 19.81 2kb4 s ALA 139 CO 0.02 -0.13 0.00 0.41 0.00 0.00 0.00 175.76 176.06 2kb4 n GLY 140 N 2.48 0.81 3.87 0.00 0.00 -0.20 -4.81 105.19 107.35 2kb4 n GLY 140 Ca 0.04 -1.88 -0.31 0.00 0.00 0.00 0.00 46.02 43.87 2kb4 n GLY 140 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2kb4 s PRO 141 N 1.39 3.65 -0.38 1.61 0.04 -1.26 -4.75 135.00 135.31 2kb4 s PRO 141 Ca 0.00 0.68 -0.09 0.00 0.04 0.00 0.00 61.00 61.63 2kb4 s PRO 141 Cb 0.00 -2.15 0.05 0.00 0.04 0.00 0.00 34.50 32.44 2kb4 s PRO 141 CO 0.00 -0.44 0.20 0.00 0.04 0.00 0.00 177.00 176.80 2kb4 s ALA 142 N -2.99 3.21 -2.15 8.56 0.00 -1.26 -3.72 121.76 123.41 2kb4 s ALA 142 Ca 0.54 -1.93 0.31 0.00 0.00 0.00 0.00 51.96 50.88 2kb4 s ALA 142 Cb -0.11 -2.52 1.64 0.00 0.00 0.00 0.00 23.12 22.14 2kb4 s ALA 142 CO 0.48 -1.49 2.08 0.39 0.00 0.00 0.00 175.76 177.21