#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 0.45 -3.45 3.17 0.02 -2.12 -3.46 113.55 108.17 2kb4 h SER 2 Ca 0.00 -0.58 -0.62 0.00 -0.84 0.00 0.00 61.79 59.75 2kb4 h SER 2 Cb 0.00 -0.15 -0.16 0.00 0.14 0.00 0.00 62.40 62.23 2kb4 h SER 2 CO 0.00 1.48 -0.54 -1.81 -1.14 0.00 0.00 176.83 174.82 2kb4 s ASP 3 N -7.09 5.80 -0.91 3.07 1.11 -1.26 -5.01 116.67 112.39 2kb4 s ASP 3 Ca -0.09 0.07 -0.23 0.00 0.18 0.00 0.00 52.55 52.49 2kb4 s ASP 3 Cb 0.07 -2.02 0.07 0.00 1.07 0.00 0.00 42.92 42.10 2kb4 s ASP 3 CO 0.87 0.11 1.30 0.20 1.18 0.00 0.00 175.17 178.82 2kb4 s ASN 4 N 0.79 6.43 0.31 0.27 -0.87 -1.26 -4.96 114.94 115.65 2kb4 s ASN 4 Ca 0.06 -1.35 0.07 0.00 -1.57 0.00 0.00 52.86 50.06 2kb4 s ASN 4 Cb -0.13 -2.51 -0.02 0.00 -0.02 0.00 0.00 41.25 38.56 2kb4 s ASN 4 CO 0.02 -1.46 0.32 0.54 -2.57 0.00 0.00 177.10 173.95 2kb4 s ASN 5 N 4.32 5.58 0.00 -1.22 2.20 -1.26 -5.09 114.94 119.47 2kb4 s ASN 5 Ca 0.38 -0.33 0.00 0.00 -0.94 0.00 0.00 52.86 51.98 2kb4 s ASN 5 Cb -0.04 -1.19 0.00 0.00 -2.00 0.00 0.00 41.25 38.02 2kb4 s ASN 5 CO -0.03 -0.29 0.00 0.61 -2.94 0.00 0.00 177.10 174.45 2kb4 n GLY 6 N -1.40 0.58 3.68 0.45 0.00 -1.26 -5.11 105.19 102.13 2kb4 n GLY 6 Ca -0.03 -0.70 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 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 -2.02 4.46 0.59 2.61 -4.23 -1.26 -4.98 115.64 110.81 2kb4 s THR 7 Ca 0.00 1.77 -0.20 0.00 -1.18 0.00 0.00 61.69 62.08 2kb4 s THR 7 Cb 0.00 -4.14 -0.03 0.00 1.34 0.00 0.00 72.50 69.67 2kb4 s THR 7 CO 0.00 -0.03 1.31 -2.16 -0.54 0.00 0.00 174.62 173.20 2kb4 s PRO 8 N 2.38 2.92 -0.15 3.99 0.04 -1.26 -4.91 135.00 138.00 2kb4 s PRO 8 Ca 0.52 2.12 -0.29 0.00 0.04 0.00 0.00 61.00 63.39 2kb4 s PRO 8 Cb -0.21 -2.07 -0.03 0.00 0.04 0.00 0.00 34.50 32.22 2kb4 s PRO 8 CO 0.18 -1.33 1.56 -1.21 0.04 0.00 0.00 177.00 176.25 2kb4 s GLU 9 N -3.12 4.01 0.25 4.56 0.41 -1.26 -4.97 118.70 118.57 2kb4 s GLU 9 Ca 0.76 1.84 -0.25 0.00 -0.41 0.00 0.00 54.97 56.91 2kb4 s GLU 9 Cb -0.38 -3.97 -0.09 0.00 -1.78 0.00 0.00 34.13 27.91 2kb4 s GLU 9 CO 0.43 -1.03 0.85 -1.25 -0.49 0.00 0.00 175.26 173.77 2kb4 s PRO 10 N 4.23 4.56 0.19 0.39 0.04 -1.26 -5.02 135.00 138.13 2kb4 s PRO 10 Ca 0.69 1.22 -0.30 0.00 0.04 0.00 0.00 61.00 62.64 2kb4 s PRO 10 Cb -0.27 -3.02 -0.08 0.00 0.04 0.00 0.00 34.50 31.17 2kb4 s PRO 10 CO 0.27 0.42 1.28 1.14 0.04 0.00 0.00 177.00 180.14 2kb4 s GLN 11 N -1.65 4.41 -0.97 4.56 -2.07 -1.26 -4.91 119.66 117.77 2kb4 s GLN 11 Ca 0.43 2.00 -0.24 0.00 -1.82 0.00 0.00 55.36 55.74 2kb4 s GLN 11 Cb -0.21 -3.21 -0.01 0.00 -1.09 0.00 0.00 33.01 28.49 2kb4 s GLN 11 CO 0.25 -0.21 1.76 0.08 -1.32 0.00 0.00 175.29 175.85 2kb4 s VAL 12 N 0.11 3.65 -0.04 3.63 1.01 -1.26 -4.93 120.40 122.57 2kb4 s VAL 12 Ca 0.56 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.65 2kb4 s VAL 12 Cb -0.35 -4.46 -0.04 0.00 0.00 0.00 0.00 36.38 31.53 2kb4 s VAL 12 CO 0.37 -1.35 1.32 -0.70 0.00 0.00 0.00 175.10 174.74 2kb4 s GLU 13 N 6.15 4.30 -0.63 2.72 2.12 -1.26 -4.92 118.70 127.17 2kb4 s GLU 13 Ca 0.61 1.82 -0.26 0.00 0.36 0.00 0.00 54.97 57.50 2kb4 s GLU 13 Cb -0.04 -3.60 -0.04 0.00 0.26 0.00 0.00 34.13 30.71 2kb4 s GLU 13 CO -0.03 -0.55 2.01 0.99 -0.54 0.00 0.00 175.26 177.14 2kb4 s THR 14 N 2.51 3.27 -1.35 -1.70 2.01 -1.26 -4.86 115.64 114.27 2kb4 s THR 14 Ca 0.60 0.08 -0.16 0.00 0.31 0.00 0.00 61.69 62.51 2kb4 s THR 14 Cb -0.28 -3.71 0.04 0.00 0.01 0.00 0.00 72.50 68.57 2kb4 s THR 14 CO 0.23 -0.68 1.98 1.07 -0.69 0.00 0.00 174.62 176.53 2kb4 n THR 15 N 7.53 3.57 -3.71 -0.82 5.66 -1.26 -4.79 114.28 120.46 2kb4 n THR 15 Ca 0.28 -3.44 -0.10 0.00 -3.05 0.00 0.00 64.05 57.74 2kb4 n THR 15 Cb 0.52 -2.46 -0.04 0.00 -1.55 0.00 0.00 70.33 66.80 2kb4 n THR 15 CO 0.00 0.00 0.00 -0.44 -3.05 0.00 0.00 175.07 171.58 2kb4 s SER 16 N 3.86 -0.27 0.21 1.09 0.01 -1.26 -5.13 113.70 112.21 2kb4 s SER 16 Ca 0.51 -0.44 -0.30 0.00 1.31 0.00 0.00 55.95 57.03 2kb4 s SER 16 Cb 0.09 0.57 -0.08 0.00 0.21 0.00 0.00 66.02 66.80 2kb4 s SER 16 CO 0.01 -1.03 1.16 0.68 0.41 0.00 0.00 173.24 174.47 2kb4 s VAL 17 N -3.86 3.56 0.37 3.43 -7.23 -1.26 -5.02 120.40 110.39 2kb4 s VAL 17 Ca 0.08 1.39 0.03 0.00 -1.81 0.00 0.00 61.98 61.67 2kb4 s VAL 17 Cb -0.01 -3.88 -0.01 0.00 0.56 0.00 0.00 36.38 33.04 2kb4 s VAL 17 CO -0.04 0.26 0.11 0.33 -0.31 0.00 0.00 175.10 175.45 2kb4 n PHE 18 N 2.10 0.23 -2.06 2.82 7.35 -1.26 -5.14 117.46 121.49 2kb4 n PHE 18 Ca 0.03 -2.26 -0.30 0.00 -0.76 0.00 0.00 57.45 54.15 2kb4 n PHE 18 Cb 0.45 -0.04 0.01 0.00 0.35 0.00 0.00 39.48 40.25 2kb4 n PHE 18 CO 0.00 0.00 0.00 1.03 -0.76 0.00 0.00 176.76 177.03 2kb4 s ARG 19 N -3.38 3.47 -0.18 -4.13 1.81 -1.26 -4.94 118.95 110.35 2kb4 s ARG 19 Ca 0.16 0.56 0.03 0.00 -1.72 0.00 0.00 55.73 54.76 2kb4 s ARG 19 Cb 0.01 -2.15 0.32 0.00 -0.45 0.00 0.00 34.95 32.68 2kb4 s ARG 19 CO 0.11 -0.55 1.32 0.00 -0.68 0.00 0.00 175.30 175.50 2kb4 n ALA 20 N -2.67 3.68 0.03 2.13 0.00 -1.26 -4.34 120.51 118.09 2kb4 n ALA 20 Ca 0.05 -1.18 -0.11 0.00 0.00 0.00 0.00 53.44 52.19 2kb4 n ALA 20 Cb 0.55 -1.16 -0.06 0.00 0.00 0.00 0.00 19.45 18.78 2kb4 n ALA 20 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2kb4 h ASP 21 N 0.84 -0.09 -1.23 0.00 3.58 -2.07 -3.41 116.42 114.04 2kb4 h ASP 21 Ca 0.21 0.02 -0.03 0.00 0.42 0.00 0.00 57.03 57.65 2kb4 h ASP 21 Cb 1.66 0.05 -0.23 0.00 1.72 0.00 0.00 39.33 42.52 2kb4 h ASP 21 CO 0.42 -0.04 -0.41 -0.22 -2.88 0.00 0.00 179.24 176.11 2kb4 s LEU 22 N -10.25 -1.33 0.33 2.28 2.96 -1.26 -5.15 118.68 106.26 2kb4 s LEU 22 Ca -0.13 0.14 -0.01 0.00 -0.22 0.00 0.00 54.13 53.90 2kb4 s LEU 22 Cb 0.07 1.77 -0.04 0.00 0.50 0.00 0.00 46.19 48.49 2kb4 s LEU 22 CO 0.67 -0.31 0.56 -0.76 -1.32 0.00 0.00 176.35 175.18 2kb4 s LEU 23 N 2.75 4.01 -0.00 -0.68 1.43 -1.26 -5.07 118.68 119.85 2kb4 s LEU 23 Ca 0.12 0.54 -0.13 0.00 -1.03 0.00 0.00 54.13 53.62 2kb4 s LEU 23 Cb -0.12 -3.39 -0.06 0.00 0.03 0.00 0.00 46.19 42.66 2kb4 s LEU 23 CO -0.26 -0.28 0.38 -0.54 0.23 0.00 0.00 176.35 175.88 2kb4 s LYS 24 N -4.11 3.85 0.06 1.70 3.01 -1.26 -5.01 119.74 117.98 2kb4 s LYS 24 Ca 0.41 0.33 -0.30 0.00 -1.01 0.00 0.00 55.97 55.40 2kb4 s LYS 24 Cb -0.10 -3.19 -0.09 0.00 -1.01 0.00 0.00 37.83 33.44 2kb4 s LYS 24 CO 0.35 0.69 1.90 -1.21 0.51 0.00 0.00 175.35 177.59 2kb4 s GLU 25 N -1.17 4.14 -0.17 1.68 0.41 -1.26 -4.98 118.70 117.34 2kb4 s GLU 25 Ca 0.24 2.58 -0.20 0.00 -0.41 0.00 0.00 54.97 57.19 2kb4 s GLU 25 Cb -0.16 -3.95 -0.03 0.00 -1.78 0.00 0.00 34.13 28.21 2kb4 s GLU 25 CO 0.13 -0.91 0.57 1.41 -0.49 0.00 0.00 175.26 175.97 2kb4 s MET 26 N 3.82 4.24 0.02 1.61 -2.45 -1.26 -5.04 119.30 120.24 2kb4 s MET 26 Ca 0.85 0.54 -0.00 0.00 -1.25 0.00 0.00 55.69 55.82 2kb4 s MET 26 Cb -0.43 -3.54 -0.02 0.00 1.25 0.00 0.00 34.83 32.09 2kb4 s MET 26 CO 0.39 -0.12 -0.03 -2.00 1.05 0.00 0.00 175.02 174.32 2kb4 s GLU 27 N 1.51 0.34 0.00 4.11 2.56 -1.26 -5.02 118.70 120.94 2kb4 s GLU 27 Ca 0.27 -0.66 0.00 0.00 0.00 0.00 0.00 54.97 54.58 2kb4 s GLU 27 Cb -0.16 0.12 0.00 0.00 2.00 0.00 0.00 34.13 36.09 2kb4 s GLU 27 CO 0.11 -0.06 0.00 -1.13 -0.56 0.00 0.00 175.26 173.62 2kb4 n SER 28 N 1.46 0.00 -1.78 -1.70 3.41 -1.26 -5.02 113.62 108.72 2kb4 n SER 28 Ca -0.23 0.00 -0.20 0.00 -0.26 0.00 0.00 58.87 58.18 2kb4 n SER 28 Cb 0.56 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.44 2kb4 n SER 28 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 2kb4 n SER 29 N -1.26 -5.53 -4.53 4.04 7.64 -1.26 -4.94 113.62 107.78 2kb4 n SER 29 Ca 0.00 0.33 -0.41 0.00 1.01 0.00 0.00 58.87 59.80 2kb4 n SER 29 Cb 0.00 -4.72 -0.10 0.00 -1.01 0.00 0.00 64.21 58.38 2kb4 n SER 29 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kb4 s THR 30 N -2.83 5.20 -1.41 0.44 2.01 -1.26 -4.97 115.64 112.82 2kb4 s THR 30 Ca 0.00 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.71 2kb4 s THR 30 Cb 0.00 -3.82 0.05 0.00 0.01 0.00 0.00 72.50 68.74 2kb4 s THR 30 CO 0.00 -0.12 2.10 0.61 -0.69 0.00 0.00 174.62 176.51 2kb4 n GLY 31 N 5.03 3.98 3.77 4.40 0.00 -1.26 -4.94 105.19 116.17 2kb4 n GLY 31 Ca -0.10 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 43.94 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 3.37 2.99 0.24 2.61 -1.32 -1.26 -4.99 115.64 117.28 2kb4 s THR 32 Ca 0.48 1.00 -0.30 0.00 -1.21 0.00 0.00 61.69 61.66 2kb4 s THR 32 Cb 0.11 -3.63 -0.09 0.00 -1.51 0.00 0.00 72.50 67.38 2kb4 s THR 32 CO -0.05 0.23 1.02 0.00 -2.21 0.00 0.00 174.62 173.62 2kb4 s ALA 33 N -1.16 3.36 0.26 11.08 0.00 -1.26 -5.01 121.76 129.03 2kb4 s ALA 33 Ca 0.48 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.89 2kb4 s ALA 33 Cb -0.37 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.38 2kb4 s ALA 33 CO 0.48 0.01 1.31 -1.25 0.00 0.00 0.00 175.76 176.31 2kb4 s PRO 34 N -1.12 4.38 0.09 0.00 0.04 -1.26 -4.94 135.00 132.19 2kb4 s PRO 34 Ca 0.44 2.12 -0.22 0.00 0.04 0.00 0.00 61.00 63.38 2kb4 s PRO 34 Cb -0.29 -3.14 -0.12 0.00 0.04 0.00 0.00 34.50 30.99 2kb4 s PRO 34 CO 0.36 -0.22 1.67 0.00 0.04 0.00 0.00 177.00 178.85 2kb4 h ALA 35 N 4.55 0.12 0.00 8.56 0.00 -2.06 -3.46 119.26 126.98 2kb4 h ALA 35 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kb4 h ALA 35 Cb 1.22 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2kb4 h ALA 35 CO 0.73 -0.34 0.00 0.43 0.00 0.00 0.00 179.25 180.07 2kb4 n SER 36 N -4.97 0.00 -4.85 0.00 7.64 -1.26 -4.96 113.62 105.22 2kb4 n SER 36 Ca -0.06 0.00 -0.38 0.00 1.01 0.00 0.00 58.87 59.45 2kb4 n SER 36 Cb 0.07 -1.71 -0.06 0.00 -1.01 0.00 0.00 64.21 61.51 2kb4 n SER 36 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2kb4 s THR 37 N -1.94 5.13 0.00 0.44 -4.23 -1.26 -4.00 115.64 109.78 2kb4 s THR 37 Ca 0.00 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.21 2kb4 s THR 37 Cb 0.00 -3.65 0.00 0.00 1.34 0.00 0.00 72.50 70.19 2kb4 s THR 37 CO 0.00 0.58 0.00 0.61 -0.54 0.00 0.00 174.62 175.27 2kb4 n GLY 38 N 1.83 0.36 0.26 3.99 0.00 -1.26 -4.90 105.19 105.45 2kb4 n GLY 38 Ca -0.15 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.02 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 1.01 0.00 4.61 0.00 -1.95 -2.35 119.26 120.59 2kb4 h ALA 39 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kb4 h ALA 39 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2kb4 h ALA 39 CO 0.00 0.08 0.00 -0.85 0.00 0.00 0.00 179.25 178.48 2kb4 n GLU 40 N -3.19 0.05 0.23 0.00 0.28 -1.26 -1.80 120.64 114.95 2kb4 n GLU 40 Ca 0.01 0.32 0.07 0.00 -0.16 0.00 0.00 57.16 57.40 2kb4 n GLU 40 Cb 0.36 -1.60 0.57 0.00 1.43 0.00 0.00 31.44 32.20 2kb4 n GLU 40 CO 0.00 0.00 0.00 -0.97 -0.16 0.00 0.00 177.13 176.00 2kb4 h ASN 41 N 0.00 0.03 -3.97 -1.84 -1.24 -1.84 -3.33 115.58 103.39 2kb4 h ASN 41 Ca 0.00 -0.00 -0.67 0.00 0.71 0.00 0.00 56.30 56.34 2kb4 h ASN 41 Cb 0.24 -0.01 -0.39 0.00 0.73 0.00 0.00 38.32 38.90 2kb4 h ASN 41 CO 0.00 0.10 -0.60 -0.22 -1.29 0.00 0.00 177.43 175.42 2kb4 s LEU 42 N -8.91 4.78 -0.26 0.34 2.96 -0.74 -4.91 118.68 111.93 2kb4 s LEU 42 Ca -0.05 -2.55 0.09 0.00 -0.22 0.00 0.00 54.13 51.41 2kb4 s LEU 42 Cb 0.16 -1.70 0.67 0.00 0.50 0.00 0.00 46.19 45.82 2kb4 s LEU 42 CO 0.69 -0.35 1.65 -0.81 -1.32 0.00 0.00 176.35 176.20 2kb4 n PRO 43 N 3.79 3.67 -4.17 0.98 -0.04 -1.25 -4.70 135.00 133.29 2kb4 n PRO 43 Ca 0.04 -2.69 -0.13 0.00 -0.04 0.00 0.00 63.50 60.68 2kb4 n PRO 43 Cb 0.38 -2.12 -0.08 0.00 -0.04 0.00 0.00 33.50 31.64 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 -2.63 1.02 0.00 0.55 0.00 -1.26 -5.01 121.76 114.43 2kb4 s ALA 44 Ca 0.48 -1.61 0.00 0.00 0.00 0.00 0.00 51.96 50.82 2kb4 s ALA 44 Cb 0.38 1.32 0.00 0.00 0.00 0.00 0.00 23.12 24.82 2kb4 s ALA 44 CO 0.12 -0.68 0.00 0.41 0.00 0.00 0.00 175.76 175.62 2kb4 n GLY 45 N -0.40 0.63 3.89 0.00 0.00 -0.01 -4.75 105.19 104.55 2kb4 n GLY 45 Ca 0.02 -0.67 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 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 -0.77 6.48 0.49 1.61 0.01 -1.26 -4.44 113.70 115.81 2kb4 s SER 46 Ca 0.00 0.87 0.04 0.00 1.31 0.00 0.00 55.95 58.17 2kb4 s SER 46 Cb 0.00 -2.21 -0.01 0.00 0.21 0.00 0.00 66.02 64.00 2kb4 s SER 46 CO 0.00 -0.27 0.14 0.00 0.41 0.00 0.00 173.24 173.52 2kb4 s ALA 47 N -2.19 3.99 0.16 1.44 0.00 -1.26 -3.44 121.76 120.47 2kb4 s ALA 47 Ca 0.47 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 51.33 2kb4 s ALA 47 Cb -0.11 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 2kb4 s ALA 47 CO 0.30 -0.17 -0.11 -0.48 0.00 0.00 0.00 175.76 175.30 2kb4 s LEU 48 N -3.97 2.53 0.09 0.00 2.34 -0.13 -0.36 118.68 119.18 2kb4 s LEU 48 Ca 0.23 -1.00 0.09 0.00 0.06 0.00 0.00 54.13 53.51 2kb4 s LEU 48 Cb 0.02 -0.44 -0.03 0.00 -0.56 0.00 0.00 46.19 45.18 2kb4 s LEU 48 CO 0.13 -0.28 -0.24 -1.48 -1.06 0.00 0.00 176.35 173.42 2kb4 s LEU 49 N -3.16 2.25 -0.06 1.48 0.05 -0.65 -1.02 118.68 117.57 2kb4 s LEU 49 Ca 0.18 -0.65 0.05 0.00 0.05 0.00 0.00 54.13 53.75 2kb4 s LEU 49 Cb 0.01 -1.10 -0.00 0.00 -2.05 0.00 0.00 46.19 43.04 2kb4 s LEU 49 CO 0.02 0.17 -0.20 0.68 -0.55 0.00 0.00 176.35 176.46 2kb4 s VAL 50 N -0.97 1.71 -0.34 1.48 -7.23 0.03 -2.05 120.40 113.04 2kb4 s VAL 50 Ca 0.10 -0.86 -0.19 0.00 -1.81 0.00 0.00 61.98 59.22 2kb4 s VAL 50 Cb -0.10 -1.47 -0.01 0.00 0.56 0.00 0.00 36.38 35.37 2kb4 s VAL 50 CO 0.04 0.48 0.55 -0.69 -0.31 0.00 0.00 175.10 175.17 2kb4 s VAL 51 N 0.07 4.98 0.10 1.32 1.01 -0.36 -0.60 120.40 126.92 2kb4 s VAL 51 Ca -0.07 0.51 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 2kb4 s VAL 51 Cb -0.14 -3.98 -0.17 0.00 0.00 0.00 0.00 36.38 32.09 2kb4 s VAL 51 CO 0.04 -0.20 1.28 0.50 0.00 0.00 0.00 175.10 176.72 2kb4 h LYS 52 N 8.38 0.78 -1.58 2.72 3.64 -1.80 -3.40 116.57 125.31 2kb4 h LYS 52 Ca -0.28 -0.68 0.07 0.00 -1.27 0.00 0.00 60.65 58.50 2kb4 h LYS 52 Cb 1.12 0.15 -0.26 0.00 -0.41 0.00 0.00 32.23 32.83 2kb4 h LYS 52 CO 0.78 1.28 0.45 0.50 -2.27 0.00 0.00 179.45 180.19 2kb4 s ARG 53 N -3.66 0.48 0.00 1.90 6.06 -1.24 -5.06 118.95 117.43 2kb4 s ARG 53 Ca -0.10 0.60 0.00 0.00 -2.50 0.00 0.00 55.73 53.73 2kb4 s ARG 53 Cb 0.08 0.22 0.00 0.00 0.06 0.00 0.00 34.95 35.31 2kb4 s ARG 53 CO 0.91 -0.06 0.00 0.41 -2.50 0.00 0.00 175.30 174.06 2kb4 n GLY 54 N 2.43 4.07 0.00 8.12 0.00 -1.26 -2.90 105.19 115.65 2kb4 n GLY 54 Ca -0.13 -0.65 0.00 0.00 0.00 0.00 0.00 46.02 45.23 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 0.00 0.00 -0.33 1.61 -0.02 -1.26 -2.46 135.00 132.53 2kb4 n PRO 55 Ca 0.00 0.31 0.17 0.00 -2.02 0.00 0.00 63.50 61.95 2kb4 n PRO 55 Cb 0.00 -1.63 0.33 0.00 -0.02 0.00 0.00 33.50 32.18 2kb4 n PRO 55 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 2kb4 h ASN 56 N 0.00 -0.32 0.00 2.55 -0.73 -1.87 -3.21 115.58 112.00 2kb4 h ASN 56 Ca 0.00 0.27 0.00 0.00 1.87 0.00 0.00 56.30 58.44 2kb4 h ASN 56 Cb 0.26 0.43 0.00 0.00 0.27 0.00 0.00 38.32 39.28 2kb4 h ASN 56 CO 0.00 -0.34 0.00 0.00 -0.37 0.00 0.00 177.43 176.72 2kb4 n ALA 57 N -2.97 0.00 -2.92 1.57 0.00 -1.08 -4.24 120.51 110.88 2kb4 n ALA 57 Ca 0.25 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 2kb4 n ALA 57 Cb 0.82 0.00 0.05 0.00 0.00 0.00 0.00 19.45 20.32 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 -1.42 -0.03 1.16 0.00 0.00 -1.03 -5.01 105.19 98.85 2kb4 n GLY 58 Ca 0.00 -0.12 -0.02 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 -3.07 -0.60 -3.29 4.61 0.00 -1.26 -5.01 120.51 111.88 2kb4 n ALA 59 Ca -0.15 -0.37 -0.13 0.00 0.00 0.00 0.00 53.44 52.78 2kb4 n ALA 59 Cb 0.59 0.28 -0.15 0.00 0.00 0.00 0.00 19.45 20.18 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 -2.02 0.00 0.06 0.00 1.70 -1.26 -1.23 118.95 116.20 2kb4 s ARG 60 Ca 0.05 0.11 -0.22 0.00 -0.47 0.00 0.00 55.73 55.20 2kb4 s ARG 60 Cb -0.01 -0.10 0.05 0.00 -0.57 0.00 0.00 34.95 34.31 2kb4 s ARG 60 CO 0.03 -0.08 0.52 -0.59 -1.08 0.00 0.00 175.30 174.10 2kb4 s PHE 61 N 0.51 -0.42 0.23 5.89 -0.71 -0.87 -5.01 117.98 117.60 2kb4 s PHE 61 Ca -0.04 0.43 -0.30 0.00 -1.04 0.00 0.00 56.93 55.98 2kb4 s PHE 61 Cb -0.06 0.35 -0.09 0.00 -1.21 0.00 0.00 43.02 42.01 2kb4 s PHE 61 CO -0.02 -0.66 0.94 -1.17 -1.34 0.00 0.00 175.22 172.98 2kb4 s LEU 62 N -2.07 4.64 -0.36 -1.99 2.96 -1.26 -1.63 118.68 118.96 2kb4 s LEU 62 Ca -0.04 1.95 -0.17 0.00 -0.22 0.00 0.00 54.13 55.64 2kb4 s LEU 62 Cb -0.00 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 2kb4 s LEU 62 CO -0.03 0.14 0.46 -0.76 -1.32 0.00 0.00 176.35 174.84 2kb4 s LEU 63 N -1.12 4.46 -0.13 -0.68 1.43 0.51 -4.87 118.68 118.29 2kb4 s LEU 63 Ca 0.41 -0.20 0.17 0.00 -1.03 0.00 0.00 54.13 53.48 2kb4 s LEU 63 Cb -0.26 -2.48 -0.24 0.00 0.03 0.00 0.00 46.19 43.24 2kb4 s LEU 63 CO 0.32 -0.46 0.30 -0.67 0.23 0.00 0.00 176.35 176.07 2kb4 n ASP 64 N 5.63 0.28 -4.63 2.29 2.03 -1.26 -4.13 116.55 116.75 2kb4 n ASP 64 Ca -0.06 0.13 -0.43 0.00 0.52 0.00 0.00 54.79 54.95 2kb4 n ASP 64 Cb 0.49 0.76 -0.02 0.00 -0.72 0.00 0.00 41.12 41.62 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 -2.63 3.95 0.55 -0.67 -0.21 -1.26 -4.90 119.66 114.49 2kb4 s GLN 65 Ca -0.08 1.38 0.23 0.00 0.02 0.00 0.00 55.36 56.91 2kb4 s GLN 65 Cb 0.07 -3.89 1.47 0.00 1.00 0.00 0.00 33.01 31.67 2kb4 s GLN 65 CO 0.83 -1.08 2.12 -1.00 -2.12 0.00 0.00 175.29 174.04 2kb4 h PRO 66 N 9.34 0.00 -3.37 2.91 0.13 -1.91 -3.33 132.00 135.76 2kb4 h PRO 66 Ca -0.27 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.36 2kb4 h PRO 66 Cb 1.11 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.83 2kb4 h PRO 66 CO 1.02 0.00 -0.76 0.99 -0.23 0.00 0.00 178.00 179.02 2kb4 s THR 67 N -4.89 0.31 -0.32 1.56 2.01 -1.26 -0.34 115.64 112.72 2kb4 s THR 67 Ca -0.05 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.43 2kb4 s THR 67 Cb 0.17 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.81 2kb4 s THR 67 CO 0.64 -0.24 0.14 -0.89 -0.69 0.00 0.00 174.62 173.57 2kb4 s THR 68 N 1.95 4.39 -0.07 -0.82 2.01 0.75 -4.95 115.64 118.91 2kb4 s THR 68 Ca 0.00 -0.59 -0.17 0.00 0.31 0.00 0.00 61.69 61.23 2kb4 s THR 68 Cb -0.17 -3.29 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 2kb4 s THR 68 CO -0.09 0.01 0.47 0.42 -0.69 0.00 0.00 174.62 174.74 2kb4 s THR 69 N 1.56 5.09 -0.05 -0.82 -4.23 -1.26 -0.49 115.64 115.45 2kb4 s THR 69 Ca 0.03 0.95 0.03 0.00 -1.18 0.00 0.00 61.69 61.53 2kb4 s THR 69 Cb -0.17 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 69.87 2kb4 s THR 69 CO 0.05 0.42 -0.15 0.00 -0.54 0.00 0.00 174.62 174.40 2kb4 s ALA 70 N -0.02 1.40 0.00 3.99 0.00 -0.25 -0.79 121.76 126.08 2kb4 s ALA 70 Ca 0.26 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2kb4 s ALA 70 Cb -0.16 -0.52 0.00 0.00 0.00 0.00 0.00 23.12 22.44 2kb4 s ALA 70 CO 0.12 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.50 2kb4 n GLY 71 N 3.38 -1.06 3.42 0.00 0.00 -0.89 -0.37 105.19 109.67 2kb4 n GLY 71 Ca -0.20 0.41 -0.44 0.00 0.00 0.00 0.00 46.02 45.79 2kb4 n GLY 71 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2kb4 s ARG 72 N 0.00 3.10 0.00 1.61 3.52 -1.26 -4.08 118.95 121.84 2kb4 s ARG 72 Ca 0.00 -1.10 0.00 0.00 -0.13 0.00 0.00 55.73 54.50 2kb4 s ARG 72 Cb 0.00 -4.27 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 2kb4 s ARG 72 CO 0.00 -1.69 0.00 0.72 -0.81 0.00 0.00 175.30 173.52 2kb4 n HIS 73 N 7.03 0.00 0.28 5.12 8.25 -1.26 0.14 115.22 134.77 2kb4 n HIS 73 Ca -0.05 0.00 0.16 0.00 -0.26 0.00 0.00 57.72 57.57 2kb4 n HIS 73 Cb 0.44 -0.05 0.80 0.00 1.12 0.00 0.00 29.99 32.30 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 0.00 0.00 -0.22 -0.41 0.13 -1.96 -2.83 132.00 126.71 2kb4 h PRO 74 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 2kb4 h PRO 74 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 2kb4 h PRO 74 CO 0.00 0.06 0.00 0.39 -0.23 0.00 0.00 178.00 178.22 2kb4 n GLU 75 N -3.29 2.64 -4.05 0.86 1.02 0.12 -4.96 120.64 112.98 2kb4 n GLU 75 Ca -0.01 -2.65 -0.10 0.00 -0.02 0.00 0.00 57.16 54.39 2kb4 n GLU 75 Cb 0.24 -1.68 -0.08 0.00 -0.02 0.00 0.00 31.44 29.90 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 -1.94 0.15 -0.12 1.62 0.01 -0.75 -4.78 113.70 107.89 2kb4 s SER 76 Ca 0.36 -1.03 -0.09 0.00 1.31 0.00 0.00 55.95 56.50 2kb4 s SER 76 Cb 0.29 0.38 -0.07 0.00 0.21 0.00 0.00 66.02 66.83 2kb4 s SER 76 CO 0.08 -0.83 0.18 -0.78 0.41 0.00 0.00 173.24 172.30 2kb4 h ASP 77 N 2.66 0.00 -1.72 2.44 3.58 -1.63 -3.45 116.42 118.31 2kb4 h ASP 77 Ca -0.33 -0.27 -0.50 0.00 0.42 0.00 0.00 57.03 56.35 2kb4 h ASP 77 Cb 1.22 0.00 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2kb4 h ASP 77 CO 0.52 0.69 -0.43 0.27 -2.88 0.00 0.00 179.24 177.41 2kb4 s ILE 78 N -1.81 3.17 -0.04 2.25 -4.36 0.03 -5.02 121.20 115.41 2kb4 s ILE 78 Ca -0.07 -1.38 0.06 0.00 -0.26 0.00 0.00 60.65 58.99 2kb4 s ILE 78 Cb -0.00 -3.10 -0.01 0.00 1.25 0.00 0.00 42.46 40.60 2kb4 s ILE 78 CO 0.22 -0.11 -0.21 0.72 0.24 0.00 0.00 174.94 175.80 2kb4 s PHE 79 N -2.38 2.01 -0.20 1.37 -0.71 -1.26 -2.09 117.98 114.73 2kb4 s PHE 79 Ca 0.43 -0.51 -0.02 0.00 -1.04 0.00 0.00 56.93 55.79 2kb4 s PHE 79 Cb -0.05 -1.32 -0.00 0.00 -1.21 0.00 0.00 43.02 40.44 2kb4 s PHE 79 CO 0.27 -0.13 -0.09 -0.48 -1.34 0.00 0.00 175.22 173.44 2kb4 s LEU 80 N -0.22 2.69 -1.32 -1.99 2.34 -1.26 -4.66 118.68 114.26 2kb4 s LEU 80 Ca 0.01 -0.44 -0.17 0.00 0.06 0.00 0.00 54.13 53.59 2kb4 s LEU 80 Cb -0.11 -1.66 0.07 0.00 -0.56 0.00 0.00 46.19 43.93 2kb4 s LEU 80 CO 0.02 0.02 1.81 -0.67 -1.06 0.00 0.00 176.35 176.46 2kb4 n ASP 81 N 4.53 4.78 -1.46 1.48 2.03 -1.21 -4.83 116.55 121.86 2kb4 n ASP 81 Ca -0.19 -2.91 0.00 0.00 0.52 0.00 0.00 54.79 52.21 2kb4 n ASP 81 Cb 0.51 -1.72 0.00 0.00 -0.72 0.00 0.00 41.12 39.19 2kb4 n ASP 81 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kb4 n ASP 82 N 7.78 1.76 0.00 1.67 2.03 -1.26 -4.13 116.55 124.40 2kb4 n ASP 82 Ca 0.49 -0.73 0.00 0.00 0.52 0.00 0.00 54.79 55.07 2kb4 n ASP 82 Cb 0.44 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.84 2kb4 n ASP 82 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 2kb4 n VAL 83 N -0.09 0.00 -0.86 5.18 3.14 -1.26 -4.75 118.33 119.69 2kb4 n VAL 83 Ca 0.00 -0.02 0.04 0.00 -2.96 0.00 0.00 64.34 61.40 2kb4 n VAL 83 Cb 0.00 0.31 0.37 0.00 -1.06 0.00 0.00 33.84 33.46 2kb4 n VAL 83 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2kb4 n THR 84 N -0.76 2.71 -2.66 1.55 5.66 -1.26 -4.86 114.28 114.66 2kb4 n THR 84 Ca 0.00 -1.40 -0.43 0.00 -3.05 0.00 0.00 64.05 59.17 2kb4 n THR 84 Cb 0.00 -0.31 -0.03 0.00 -1.55 0.00 0.00 70.33 68.45 2kb4 n THR 84 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kb4 s VAL 85 N -2.75 4.31 0.00 1.08 0.11 -1.26 -4.69 120.40 117.21 2kb4 s VAL 85 Ca 0.53 1.19 0.00 0.00 -2.93 0.00 0.00 61.98 60.76 2kb4 s VAL 85 Cb 0.41 -4.54 0.00 0.00 -1.53 0.00 0.00 36.38 30.72 2kb4 s VAL 85 CO 0.15 -0.89 0.00 -1.20 -3.33 0.00 0.00 175.10 169.83 2kb4 n SER 86 N 7.54 0.00 -0.05 3.54 7.64 -1.26 -4.76 113.62 126.27 2kb4 n SER 86 Ca 0.11 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.80 2kb4 n SER 86 Cb 0.49 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.56 2kb4 n SER 86 CO 0.00 0.00 0.00 -0.09 -3.01 0.00 0.00 175.04 171.94 2kb4 h ARG 87 N 0.00 0.08 -2.83 1.43 9.65 -1.93 -3.48 114.38 117.29 2kb4 h ARG 87 Ca 0.00 -0.13 0.06 0.00 -1.10 0.00 0.00 59.98 58.81 2kb4 h ARG 87 Cb 0.00 0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 28.61 2kb4 h ARG 87 CO 0.00 1.06 0.36 -0.98 2.80 0.00 0.00 179.97 183.21 2kb4 s ARG 88 N -2.33 1.85 0.00 0.20 1.70 -1.26 -4.27 118.95 114.83 2kb4 s ARG 88 Ca -0.22 -1.15 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 2kb4 s ARG 88 Cb 0.01 0.54 0.00 0.00 -0.57 0.00 0.00 34.95 34.94 2kb4 s ARG 88 CO 0.69 -0.86 0.00 1.58 -1.08 0.00 0.00 175.30 175.63 2kb4 n HIS 89 N -0.55 0.00 -3.96 5.89 -0.00 0.50 -4.52 115.22 112.57 2kb4 n HIS 89 Ca -0.06 0.00 -0.09 0.00 -0.00 0.00 0.00 57.72 57.57 2kb4 n HIS 89 Cb 0.60 -0.05 -0.08 0.00 -0.00 0.00 0.00 29.99 30.46 2kb4 n HIS 89 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 2kb4 s ALA 90 N -3.76 0.07 -0.14 1.57 0.00 -0.93 -2.51 121.76 116.06 2kb4 s ALA 90 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.07 2kb4 s ALA 90 Cb 0.00 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.85 2kb4 s ALA 90 CO 0.00 -0.58 -0.16 -1.21 0.00 0.00 0.00 175.76 173.81 2kb4 s GLU 91 N -3.95 3.24 -0.37 0.00 2.02 0.68 -1.09 118.70 119.23 2kb4 s GLU 91 Ca 0.14 -0.75 -0.13 0.00 0.02 0.00 0.00 54.97 54.25 2kb4 s GLU 91 Cb 0.04 -2.58 0.00 0.00 0.10 0.00 0.00 34.13 31.69 2kb4 s GLU 91 CO -0.03 0.09 0.26 -0.06 0.02 0.00 0.00 175.26 175.54 2kb4 s PHE 92 N 0.62 3.23 -0.35 1.61 0.08 0.36 -1.27 117.98 122.26 2kb4 s PHE 92 Ca -0.09 -0.43 -0.11 0.00 0.12 0.00 0.00 56.93 56.42 2kb4 s PHE 92 Cb -0.16 -2.51 0.01 0.00 -0.57 0.00 0.00 43.02 39.79 2kb4 s PHE 92 CO 0.03 -0.48 0.20 1.03 -0.10 0.00 0.00 175.22 175.90 2kb4 s ARG 93 N 1.69 3.13 -0.25 0.44 0.52 0.88 -0.18 118.95 125.17 2kb4 s ARG 93 Ca 0.05 -0.88 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 2kb4 s ARG 93 Cb -0.18 -3.71 0.05 0.00 0.52 0.00 0.00 34.95 31.64 2kb4 s ARG 93 CO 0.10 -0.56 -0.12 -1.50 0.02 0.00 0.00 175.30 173.23 2kb4 s ILE 94 N 1.61 2.14 0.08 1.52 -1.16 0.54 -0.21 121.20 125.73 2kb4 s ILE 94 Ca 0.04 -1.53 0.09 0.00 -0.51 0.00 0.00 60.65 58.74 2kb4 s ILE 94 Cb -0.18 -2.21 -0.03 0.00 0.61 0.00 0.00 42.46 40.65 2kb4 s ILE 94 CO 0.07 0.05 -0.24 0.20 -2.81 0.00 0.00 174.94 172.21 2kb4 s ASN 95 N 1.13 2.89 0.49 4.50 -0.87 -0.72 -4.12 114.94 118.24 2kb4 s ASN 95 Ca -0.07 -0.64 0.15 0.00 -1.57 0.00 0.00 52.86 50.73 2kb4 s ASN 95 Cb -0.19 -0.22 1.14 0.00 -0.02 0.00 0.00 41.25 41.97 2kb4 s ASN 95 CO -0.06 0.17 2.09 -0.33 -2.57 0.00 0.00 177.10 176.39 2kb4 h GLU 96 N 4.41 0.04 0.46 -0.60 3.07 -1.85 -2.75 114.58 117.36 2kb4 h GLU 96 Ca -0.47 -0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.37 2kb4 h GLU 96 Cb 1.16 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 29.07 2kb4 h GLU 96 CO 0.42 0.09 -0.22 0.78 -1.40 0.00 0.00 179.01 178.68 2kb4 h GLY 97 N 0.23 -0.64 -4.87 -3.84 0.00 -1.85 -3.48 103.07 88.62 2kb4 h GLY 97 Ca 0.01 0.24 -0.14 0.00 0.00 0.00 0.00 47.33 47.44 2kb4 h GLY 97 CO 0.01 -0.23 -0.39 -0.54 0.00 0.00 0.00 176.54 175.38 2kb4 s GLU 98 N -3.61 0.49 -0.30 4.80 2.02 -1.04 -5.11 118.70 115.94 2kb4 s GLU 98 Ca -0.09 -0.08 -0.09 0.00 0.02 0.00 0.00 54.97 54.73 2kb4 s GLU 98 Cb 0.01 0.22 -0.01 0.00 0.10 0.00 0.00 34.13 34.44 2kb4 s GLU 98 CO 0.27 -0.11 0.14 -0.06 0.02 0.00 0.00 175.26 175.52 2kb4 s PHE 99 N -0.86 3.17 -0.03 1.61 0.08 -1.25 -1.75 117.98 118.95 2kb4 s PHE 99 Ca -0.09 -0.53 0.02 0.00 0.12 0.00 0.00 56.93 56.44 2kb4 s PHE 99 Cb -0.05 -2.34 0.01 0.00 -0.57 0.00 0.00 43.02 40.06 2kb4 s PHE 99 CO 0.02 -0.44 -0.08 -1.21 -0.10 0.00 0.00 175.22 173.42 2kb4 s GLU 100 N 1.62 0.86 -0.21 0.44 2.02 0.71 -0.25 118.70 123.89 2kb4 s GLU 100 Ca 0.05 -0.25 -0.01 0.00 0.02 0.00 0.00 54.97 54.77 2kb4 s GLU 100 Cb -0.17 -0.81 0.01 0.00 0.10 0.00 0.00 34.13 33.26 2kb4 s GLU 100 CO 0.06 0.08 -0.12 0.54 0.02 0.00 0.00 175.26 175.84 2kb4 s VAL 101 N 0.27 2.67 -0.08 2.63 0.11 0.45 -0.09 120.40 126.36 2kb4 s VAL 101 Ca -0.04 -0.80 0.05 0.00 -2.93 0.00 0.00 61.98 58.25 2kb4 s VAL 101 Cb -0.09 -2.21 -0.00 0.00 -1.53 0.00 0.00 36.38 32.55 2kb4 s VAL 101 CO 0.00 0.43 -0.23 0.54 -3.33 0.00 0.00 175.10 172.51 2kb4 s VAL 102 N 1.36 1.97 0.11 2.04 0.11 -0.40 -0.54 120.40 125.06 2kb4 s VAL 102 Ca 0.04 -0.98 -0.27 0.00 -2.93 0.00 0.00 61.98 57.84 2kb4 s VAL 102 Cb -0.14 -1.70 -0.07 0.00 -1.53 0.00 0.00 36.38 32.95 2kb4 s VAL 102 CO -0.08 0.54 0.83 -0.62 -3.33 0.00 0.00 175.10 172.44 2kb4 s ASP 103 N 0.20 7.37 0.15 3.54 2.15 0.10 -0.23 116.67 129.96 2kb4 s ASP 103 Ca -0.14 1.63 0.23 0.00 0.43 0.00 0.00 52.55 54.71 2kb4 s ASP 103 Cb -0.16 -2.52 0.17 0.00 -0.30 0.00 0.00 42.92 40.11 2kb4 s ASP 103 CO 0.07 0.07 1.18 -0.37 -0.17 0.00 0.00 175.17 175.95 2kb4 h VAL 104 N 3.78 0.00 0.00 1.11 -1.51 -1.80 -3.46 116.25 114.37 2kb4 h VAL 104 Ca -0.45 -0.69 0.00 0.00 -1.23 0.00 0.00 66.70 64.33 2kb4 h VAL 104 Cb 1.21 1.22 0.00 0.00 -2.13 0.00 0.00 31.29 31.58 2kb4 h VAL 104 CO 0.69 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.64 2kb4 n GLY 105 N 1.28 -0.15 1.04 5.19 0.00 -1.26 -5.03 105.19 106.27 2kb4 n GLY 105 Ca 0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 46.02 45.97 2kb4 n GLY 105 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kb4 n SER 106 N 0.00 -0.40 0.05 1.61 2.88 -1.26 -4.28 113.62 112.22 2kb4 n SER 106 Ca 0.00 -1.90 0.05 0.00 -1.33 0.00 0.00 58.87 55.69 2kb4 n SER 106 Cb 0.00 0.11 0.23 0.00 -0.75 0.00 0.00 64.21 63.81 2kb4 n SER 106 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kb4 n LEU 107 N 0.11 0.19 0.28 2.46 7.94 -1.26 -0.42 117.00 126.30 2kb4 n LEU 107 Ca -0.16 0.58 0.13 0.00 -1.11 0.00 0.00 56.01 55.44 2kb4 n LEU 107 Cb 0.78 -0.58 0.81 0.00 0.53 0.00 0.00 43.42 44.96 2kb4 n LEU 107 CO -0.10 -0.57 1.09 -1.13 -1.11 0.00 0.00 177.39 175.58 2kb4 h ASN 108 N 0.00 0.00 0.00 1.96 -1.24 -1.92 -2.99 115.58 111.39 2kb4 h ASN 108 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 2kb4 h ASN 108 Cb 0.08 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.13 2kb4 h ASN 108 CO 0.00 0.02 0.00 0.61 -1.29 0.00 0.00 177.43 176.77 2kb4 n GLY 109 N -1.33 -0.02 3.52 1.57 0.00 0.44 -5.00 105.19 104.36 2kb4 n GLY 109 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.28 4.93 -0.01 2.61 2.01 -1.13 0.10 115.64 123.87 2kb4 s THR 110 Ca 0.00 -0.07 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2kb4 s THR 110 Cb 0.00 -3.39 0.01 0.00 0.01 0.00 0.00 72.50 69.13 2kb4 s THR 110 CO 0.00 0.21 -0.00 -0.31 -0.69 0.00 0.00 174.62 173.83 2kb4 s TYR 111 N 1.69 0.11 -0.27 4.92 2.02 -0.01 -4.22 117.35 121.59 2kb4 s TYR 111 Ca 0.06 0.01 -0.09 0.00 -0.37 0.00 0.00 57.07 56.68 2kb4 s TYR 111 Cb -0.16 -0.13 -0.03 0.00 -0.40 0.00 0.00 41.96 41.24 2kb4 s TYR 111 CO 0.08 -0.03 0.14 0.54 -1.57 0.00 0.00 175.55 174.71 2kb4 s VAL 112 N 0.26 4.80 0.00 0.71 0.11 0.28 -0.53 120.40 126.02 2kb4 s VAL 112 Ca -0.02 -0.07 0.00 0.00 -2.93 0.00 0.00 61.98 58.96 2kb4 s VAL 112 Cb -0.04 -3.30 0.00 0.00 -1.53 0.00 0.00 36.38 31.51 2kb4 s VAL 112 CO -0.01 0.25 0.00 0.59 -3.33 0.00 0.00 175.10 172.60 2kb4 n ASN 113 N 5.00 0.00 0.00 3.54 4.13 -1.10 -0.23 115.26 126.59 2kb4 n ASN 113 Ca -0.15 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.11 2kb4 n ASN 113 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 2kb4 n ASN 113 CO 0.00 0.00 0.00 -1.14 0.28 0.00 0.00 177.26 176.40 2kb4 n ARG 114 N 0.00 0.00 -3.61 3.52 0.63 -1.26 -4.81 116.66 111.13 2kb4 n ARG 114 Ca 0.00 -0.04 -0.38 0.00 -0.92 0.00 0.00 57.85 56.51 2kb4 n ARG 114 Cb 0.00 -0.19 -0.11 0.00 0.45 0.00 0.00 32.46 32.61 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 3.80 -0.98 -0.14 0.41 0.68 -4.95 118.70 117.52 2kb4 s GLU 115 Ca 0.00 -0.42 -0.23 0.00 -0.41 0.00 0.00 54.97 53.91 2kb4 s GLU 115 Cb 0.00 -3.63 0.06 0.00 -1.78 0.00 0.00 34.13 28.78 2kb4 s GLU 115 CO 0.00 -0.24 1.40 -1.25 -0.49 0.00 0.00 175.26 174.68 2kb4 s PRO 116 N 1.72 3.55 0.00 0.39 0.05 -1.26 -0.56 135.00 138.89 2kb4 s PRO 116 Ca 0.07 -1.10 0.00 0.00 0.05 0.00 0.00 61.00 60.01 2kb4 s PRO 116 Cb -0.16 -5.20 0.00 0.00 0.05 0.00 0.00 34.50 29.19 2kb4 s PRO 116 CO 0.10 -2.16 0.00 0.54 0.05 0.00 0.00 177.00 175.53 2kb4 n ARG 117 N 8.69 0.00 0.00 4.56 5.12 -1.26 -5.03 116.66 128.74 2kb4 n ARG 117 Ca 0.29 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.21 2kb4 n ARG 117 Cb 0.51 -0.07 0.00 0.00 -1.16 0.00 0.00 32.46 31.74 2kb4 n ARG 117 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2kb4 n ASN 118 N 0.00 0.00 -4.21 0.55 5.15 -1.26 -5.07 115.26 110.42 2kb4 n ASN 118 Ca 0.00 0.00 -0.27 0.00 -0.60 0.00 0.00 54.58 53.71 2kb4 n ASN 118 Cb 0.00 0.00 -0.16 0.00 -0.53 0.00 0.00 39.78 39.09 2kb4 n ASN 118 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kb4 s ALA 119 N 0.00 1.74 0.02 5.20 0.00 -1.26 0.03 121.76 127.49 2kb4 s ALA 119 Ca 0.00 -0.88 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 2kb4 s ALA 119 Cb 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 23.12 22.63 2kb4 s ALA 119 CO 0.00 0.40 -0.01 -1.14 0.00 0.00 0.00 175.76 175.00 2kb4 s GLN 120 N -0.36 0.34 -0.23 0.00 2.00 0.30 -4.99 119.66 116.72 2kb4 s GLN 120 Ca 0.05 -0.62 -0.29 0.00 -2.00 0.00 0.00 55.36 52.50 2kb4 s GLN 120 Cb -0.09 0.12 0.00 0.00 0.80 0.00 0.00 33.01 33.84 2kb4 s GLN 120 CO 0.00 -0.06 1.15 0.08 -0.50 0.00 0.00 175.29 175.97 2kb4 s VAL 121 N -1.58 4.45 -0.34 1.34 1.01 -1.26 -0.41 120.40 123.61 2kb4 s VAL 121 Ca -0.15 1.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.27 2kb4 s VAL 121 Cb -0.09 -4.21 0.00 0.00 0.00 0.00 0.00 36.38 32.09 2kb4 s VAL 121 CO -0.01 -0.25 1.34 -0.32 0.00 0.00 0.00 175.10 175.86 2kb4 s MET 122 N 3.50 3.79 -0.10 2.72 1.75 0.65 -4.87 119.30 126.75 2kb4 s MET 122 Ca 0.49 1.13 -0.04 0.00 -1.25 0.00 0.00 55.69 56.03 2kb4 s MET 122 Cb -0.17 -3.93 -0.04 0.00 2.84 0.00 0.00 34.83 33.53 2kb4 s MET 122 CO 0.13 -1.28 0.04 -1.14 -0.65 0.00 0.00 175.02 172.11 2kb4 s GLN 123 N 4.45 3.17 0.06 4.11 2.00 -1.26 -4.70 119.66 127.49 2kb4 s GLN 123 Ca 0.58 -0.33 -0.30 0.00 -2.00 0.00 0.00 55.36 53.31 2kb4 s GLN 123 Cb -0.16 -2.92 -0.05 0.00 0.80 0.00 0.00 33.01 30.68 2kb4 s GLN 123 CO 0.27 0.69 1.01 -0.08 -0.50 0.00 0.00 175.29 176.67 2kb4 s THR 124 N -0.82 4.58 0.00 -0.34 -1.32 -1.26 -3.53 115.64 112.94 2kb4 s THR 124 Ca 0.13 1.96 0.00 0.00 -1.21 0.00 0.00 61.69 62.57 2kb4 s THR 124 Cb -0.12 -4.26 0.00 0.00 -1.51 0.00 0.00 72.50 66.62 2kb4 s THR 124 CO 0.03 0.22 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 2kb4 n GLY 125 N 2.65 0.94 3.58 6.08 0.00 0.35 -4.94 105.19 113.85 2kb4 n GLY 125 Ca 0.05 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.01 3.28 -0.13 1.61 -1.08 -1.23 -5.01 116.67 112.10 2kb4 s ASP 126 Ca 0.00 -1.48 0.01 0.00 -0.52 0.00 0.00 52.55 50.56 2kb4 s ASP 126 Cb 0.00 0.05 0.02 0.00 -1.46 0.00 0.00 42.92 41.52 2kb4 s ASP 126 CO 0.00 -0.67 -0.16 -0.70 0.52 0.00 0.00 175.17 174.16 2kb4 s GLU 127 N -3.80 2.43 -0.17 4.34 2.12 -1.26 -2.17 118.70 120.18 2kb4 s GLU 127 Ca 0.27 -0.63 -0.06 0.00 0.36 0.00 0.00 54.97 54.91 2kb4 s GLU 127 Cb 0.07 -2.08 -0.04 0.00 0.26 0.00 0.00 34.13 32.34 2kb4 s GLU 127 CO 0.13 -0.10 0.03 0.42 -0.54 0.00 0.00 175.26 175.21 2kb4 s ILE 128 N 1.09 4.55 -0.29 -3.70 1.01 0.93 -2.73 121.20 122.06 2kb4 s ILE 128 Ca -0.03 -0.12 -0.13 0.00 0.00 0.00 0.00 60.65 60.36 2kb4 s ILE 128 Cb -0.14 -3.03 -0.04 0.00 0.01 0.00 0.00 42.46 39.26 2kb4 s ILE 128 CO -0.04 0.48 0.27 -1.58 0.00 0.00 0.00 174.94 174.07 2kb4 s GLN 129 N 0.31 3.87 -0.27 2.79 0.74 0.31 -0.26 119.66 127.15 2kb4 s GLN 129 Ca 0.01 -0.26 0.03 0.00 0.05 0.00 0.00 55.36 55.20 2kb4 s GLN 129 Cb -0.13 -3.70 0.06 0.00 1.10 0.00 0.00 33.01 30.35 2kb4 s GLN 129 CO 0.01 -0.29 -0.09 0.96 -0.55 0.00 0.00 175.29 175.33 2kb4 s ILE 130 N 1.89 2.17 0.00 -2.34 -4.36 -0.02 -0.83 121.20 117.71 2kb4 s ILE 130 Ca 0.10 -1.70 0.00 0.00 -0.26 0.00 0.00 60.65 58.79 2kb4 s ILE 130 Cb -0.16 -2.31 0.00 0.00 1.25 0.00 0.00 42.46 41.23 2kb4 s ILE 130 CO 0.11 -0.09 0.00 0.61 0.24 0.00 0.00 174.94 175.81 2kb4 n GLY 131 N 4.42 1.34 0.51 6.27 0.00 0.11 -2.33 105.19 115.51 2kb4 n GLY 131 Ca -0.12 -0.64 0.10 0.00 0.00 0.00 0.00 46.02 45.36 2kb4 n GLY 131 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kb4 n LYS 132 N 10.81 1.48 -4.41 1.61 3.00 -1.26 -4.80 118.16 124.59 2kb4 n LYS 132 Ca 0.00 -1.06 -0.31 0.00 -0.00 0.00 0.00 58.31 56.94 2kb4 n LYS 132 Cb 0.00 -1.40 -0.04 0.00 0.00 0.00 0.00 35.03 33.59 2kb4 n LYS 132 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.40 178.59 2kb4 n PHE 133 N 0.13 0.49 -4.02 5.64 3.72 -0.99 -5.06 117.46 117.37 2kb4 n PHE 133 Ca 0.09 -2.51 -0.14 0.00 -0.05 0.00 0.00 57.45 54.84 2kb4 n PHE 133 Cb 0.44 -0.39 -0.14 0.00 -0.94 0.00 0.00 39.48 38.44 2kb4 n PHE 133 CO 0.00 0.00 0.00 -0.98 -0.05 0.00 0.00 176.76 175.73 2kb4 s ARG 134 N -4.07 0.24 -0.06 -1.08 1.70 -1.14 -0.84 118.95 113.69 2kb4 s ARG 134 Ca 0.13 -0.15 0.04 0.00 -0.47 0.00 0.00 55.73 55.29 2kb4 s ARG 134 Cb -0.01 -0.21 -0.00 0.00 -0.57 0.00 0.00 34.95 34.16 2kb4 s ARG 134 CO 0.08 0.06 -0.19 -1.17 -1.08 0.00 0.00 175.30 172.99 2kb4 s LEU 135 N -0.19 1.94 -0.14 -1.89 2.96 0.64 -2.43 118.68 119.57 2kb4 s LEU 135 Ca -0.00 -0.42 -0.04 0.00 -0.22 0.00 0.00 54.13 53.45 2kb4 s LEU 135 Cb -0.02 -1.13 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 2kb4 s LEU 135 CO -0.00 0.15 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.48 2kb4 s VAL 136 N 0.18 4.12 -0.23 1.68 1.01 0.24 -0.05 120.40 127.34 2kb4 s VAL 136 Ca -0.09 -0.29 -0.08 0.00 0.00 0.00 0.00 61.98 61.52 2kb4 s VAL 136 Cb -0.14 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.41 2kb4 s VAL 136 CO 0.04 0.51 0.09 0.12 0.00 0.00 0.00 175.10 175.86 2kb4 s PHE 137 N 0.07 3.17 -0.02 5.22 5.36 -0.92 -0.79 117.98 130.06 2kb4 s PHE 137 Ca 0.01 -0.14 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 2kb4 s PHE 137 Cb -0.13 -2.20 -0.01 0.00 -0.34 0.00 0.00 43.02 40.34 2kb4 s PHE 137 CO 0.02 -0.13 -0.17 -0.51 -1.46 0.00 0.00 175.22 172.97 2kb4 s LEU 138 N 1.16 2.00 -0.68 6.12 2.01 -0.19 -0.49 118.68 128.60 2kb4 s LEU 138 Ca 0.05 -0.33 -0.08 0.00 0.01 0.00 0.00 54.13 53.78 2kb4 s LEU 138 Cb -0.14 -0.92 0.18 0.00 0.01 0.00 0.00 46.19 45.31 2kb4 s LEU 138 CO 0.04 0.20 0.56 0.00 1.01 0.00 0.00 176.35 178.15 2kb4 s ALA 139 N -0.27 3.75 0.00 4.21 0.00 -1.26 -0.96 121.76 127.23 2kb4 s ALA 139 Ca 0.04 -3.17 0.00 0.00 0.00 0.00 0.00 51.96 48.83 2kb4 s ALA 139 Cb -0.08 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 20.01 2kb4 s ALA 139 CO 0.00 -2.14 0.00 0.41 0.00 0.00 0.00 175.76 174.03 2kb4 n GLY 140 N 3.92 0.61 3.67 0.00 0.00 -1.26 -4.94 105.19 107.19 2kb4 n GLY 140 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2kb4 n GLY 140 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2kb4 s PRO 141 N 2.53 4.19 -0.50 1.61 0.02 -1.26 -4.89 135.00 136.70 2kb4 s PRO 141 Ca 0.00 2.30 -0.28 0.00 0.02 0.00 0.00 61.00 63.04 2kb4 s PRO 141 Cb 0.00 -3.84 0.01 0.00 0.02 0.00 0.00 34.50 30.69 2kb4 s PRO 141 CO 0.00 -0.81 1.43 0.00 -0.33 0.00 0.00 177.00 177.30 2kb4 s ALA 142 N 3.48 2.88 -2.78 -1.55 0.00 -1.26 -4.84 121.76 117.70 2kb4 s ALA 142 Ca 0.75 -0.46 0.26 0.00 0.00 0.00 0.00 51.96 52.51 2kb4 s ALA 142 Cb -0.37 -4.05 0.57 0.00 0.00 0.00 0.00 23.12 19.28 2kb4 s ALA 142 CO 0.32 -2.75 1.48 0.39 0.00 0.00 0.00 175.76 175.19